Browse entries in the PDBbind-CN Database
HEADER 4X1N_COMPLEX COMPND 4X1N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 U 247 ILE ILE GLY GLY GLU PHE THR THR ILE GLU ASN GLN PRO SEQRES 2 U 247 TRP PHE ALA ALA ILE TYR ARG ARG HIS ARG GLY GLY SER SEQRES 3 U 247 VAL THR TYR VAL CYS GLY GLY SER LEU ILE SER PRO CYS SEQRES 4 U 247 TRP VAL ILE SER ALA THR HIS CYS PHE ILE ASP TYR PRO SEQRES 5 U 247 LYS LYS GLU ASP TYR ILE VAL TYR LEU GLY ARG SER ARG SEQRES 6 U 247 LEU ASN SER ASN THR GLN GLY GLU MET LYS PHE GLU VAL SEQRES 7 U 247 GLU ASN LEU ILE LEU HIS LYS ASP TYR SER ALA ASP THR SEQRES 8 U 247 LEU ALA TYR HIS ASN ASP ILE ALA LEU LEU LYS ILE ARG SEQRES 9 U 247 SER LYS GLU GLY ARG CYS ALA GLN PRO SER ARG THR ILE SEQRES 10 U 247 GLN THR ILE ALA LEU PRO SER MET TYR ASN ASP PRO GLN SEQRES 11 U 247 PHE GLY THR SER CYS GLU ILE THR GLY PHE GLY LYS GLU SEQRES 12 U 247 GLN SER THR ASP TYR LEU TYR PRO GLU GLN LEU LYS MET SEQRES 13 U 247 THR VAL VAL LYS LEU ILE SER HIS ARG GLU CYS GLN GLN SEQRES 14 U 247 PRO HIS TYR TYR GLY SER GLU VAL THR THR LYS MET LEU SEQRES 15 U 247 CYS ALA ALA ASP PRO GLN TRP LYS THR ASP SER CYS GLN SEQRES 16 U 247 GLY ASP SER GLY GLY PRO LEU VAL CYS SER LEU GLN GLY SEQRES 17 U 247 ARG MET THR LEU THR GLY ILE VAL SER TRP GLY ARG GLY SEQRES 18 U 247 CYS ALA LEU LYS ASP LYS PRO GLY VAL TYR THR ARG VAL SEQRES 19 U 247 SER HIS PHE LEU PRO TRP ILE ARG SER HIS THR LYS GLU HET CYS A 313 141 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 34.947 9.261 -8.342 1.00 20.49 N ATOM 2 CA ILE U 16 36.295 9.851 -8.270 1.00 21.15 C ATOM 3 C ILE U 16 37.146 9.331 -9.428 1.00 22.54 C ATOM 4 O ILE U 16 37.360 8.106 -9.540 1.00 24.81 O ATOM 5 CB ILE U 16 36.984 9.453 -6.955 1.00 21.04 C ATOM 6 CG1 ILE U 16 36.157 9.985 -5.761 1.00 20.96 C ATOM 7 CG2 ILE U 16 38.445 9.901 -6.914 1.00 21.33 C ATOM 8 CD1 ILE U 16 36.114 11.476 -5.614 1.00 21.33 C ATOM 9 HN3 ILE U 16 35.019 8.225 -8.280 1.00 0.00 H ATOM 10 HN2 ILE U 16 34.502 9.525 -9.244 1.00 0.00 H ATOM 11 HN1 ILE U 16 34.371 9.617 -7.553 1.00 0.00 H ATOM 12 N ILE U 17 37.607 10.252 -10.271 1.00 24.25 N ATOM 13 CA ILE U 17 38.556 9.945 -11.348 1.00 26.51 C ATOM 14 C ILE U 17 39.966 9.905 -10.787 1.00 25.34 C ATOM 15 O ILE U 17 40.396 10.848 -10.115 1.00 28.53 O ATOM 16 CB ILE U 17 38.532 11.017 -12.467 1.00 27.25 C ATOM 17 CG1 ILE U 17 37.105 11.361 -12.874 1.00 29.44 C ATOM 18 CG2 ILE U 17 39.407 10.589 -13.645 1.00 29.15 C ATOM 19 CD1 ILE U 17 36.254 10.207 -13.328 1.00 30.72 C ATOM 20 H ILE U 17 37.280 11.233 -10.162 1.00 0.00 H ATOM 21 N GLY U 18 40.668 8.801 -11.021 1.00 26.57 N ATOM 22 CA GLY U 18 41.993 8.600 -10.465 1.00 26.23 C ATOM 23 C GLY U 18 41.917 8.399 -8.963 1.00 27.65 C ATOM 24 O GLY U 18 40.987 7.768 -8.453 1.00 26.40 O ATOM 25 H GLY U 18 40.255 8.059 -11.621 1.00 0.00 H ATOM 26 N GLY U 19 42.887 8.961 -8.259 1.00 27.44 N ATOM 27 CA GLY U 19 43.026 8.698 -6.842 1.00 28.13 C ATOM 28 C GLY U 19 43.190 7.229 -6.539 1.00 27.77 C ATOM 29 O GLY U 19 43.786 6.468 -7.313 1.00 27.96 O ATOM 30 H GLY U 19 43.558 9.600 -8.730 1.00 0.00 H ATOM 31 N GLU U 20 42.649 6.811 -5.401 1.00 26.30 N ATOM 32 CA GLU U 20 42.880 5.472 -4.897 1.00 26.93 C ATOM 33 C GLU U 20 41.670 4.941 -4.152 1.00 25.99 C ATOM 34 O GLU U 20 40.850 5.712 -3.635 1.00 27.58 O ATOM 35 CB GLU U 20 44.097 5.492 -3.970 1.00 30.44 C ATOM 36 CG GLU U 20 43.958 6.465 -2.796 1.00 32.21 C ATOM 37 CD GLU U 20 45.307 6.955 -2.274 1.00 36.23 C ATOM 38 OE1 GLU U 20 46.055 7.629 -3.022 1.00 40.86 O ATOM 39 OE2 GLU U 20 45.618 6.670 -1.103 1.00 37.15 O ATOM 40 H GLU U 20 42.045 7.460 -4.858 1.00 0.00 H ATOM 41 N PHE U 21 41.559 3.622 -4.096 1.00 25.23 N ATOM 42 CA PHE U 21 40.507 2.997 -3.326 1.00 24.09 C ATOM 43 C PHE U 21 40.850 3.213 -1.862 1.00 25.68 C ATOM 44 O PHE U 21 42.012 3.359 -1.517 1.00 25.08 O ATOM 45 CB PHE U 21 40.372 1.529 -3.664 1.00 25.86 C ATOM 46 CG PHE U 21 39.777 1.302 -5.026 1.00 26.12 C ATOM 47 CD1 PHE U 21 38.441 1.561 -5.249 1.00 27.24 C ATOM 48 CD2 PHE U 21 40.561 0.871 -6.079 1.00 29.03 C ATOM 49 CE1 PHE U 21 37.877 1.384 -6.503 1.00 27.26 C ATOM 50 CE2 PHE U 21 40.009 0.698 -7.340 1.00 27.85 C ATOM 51 CZ PHE U 21 38.672 0.949 -7.548 1.00 29.01 C ATOM 52 H PHE U 21 42.238 3.028 -4.613 1.00 0.00 H ATOM 53 N THR U 22 39.819 3.283 -1.045 1.00 26.14 N ATOM 54 CA THR U 22 39.993 3.536 0.372 1.00 26.74 C ATOM 55 C THR U 22 38.938 2.745 1.098 1.00 27.85 C ATOM 56 O THR U 22 38.199 1.970 0.492 1.00 26.84 O ATOM 57 CB THR U 22 39.950 5.057 0.681 1.00 27.13 C ATOM 58 OG1 THR U 22 40.412 5.300 2.021 1.00 28.19 O ATOM 59 CG2 THR U 22 38.545 5.637 0.511 1.00 27.39 C ATOM 60 HG1 THR U 22 39.829 4.820 2.662 1.00 0.00 H ATOM 61 H THR U 22 38.859 3.154 -1.425 1.00 0.00 H ATOM 62 N THR U 23 38.909 2.883 2.420 1.00 28.75 N ATOM 63 CA THR U 23 37.872 2.276 3.216 1.00 28.70 C ATOM 64 C THR U 23 37.329 3.329 4.165 1.00 27.36 C ATOM 65 O THR U 23 37.918 4.392 4.355 1.00 29.36 O ATOM 66 CB THR U 23 38.413 1.091 4.036 1.00 31.34 C ATOM 67 OG1 THR U 23 39.529 1.545 4.808 1.00 30.20 O ATOM 68 CG2 THR U 23 38.872 -0.022 3.127 1.00 33.12 C ATOM 69 HG1 THR U 23 39.236 2.271 5.414 1.00 0.00 H ATOM 70 H THR U 23 39.650 3.441 2.890 1.00 0.00 H ATOM 71 N ILE U 24 36.197 3.016 4.756 1.00 27.79 N ATOM 72 CA ILE U 24 35.471 3.980 5.562 1.00 27.70 C ATOM 73 C ILE U 24 36.306 4.473 6.779 1.00 26.56 C ATOM 74 O ILE U 24 36.182 5.613 7.177 1.00 23.55 O ATOM 75 CB ILE U 24 34.051 3.441 5.897 1.00 27.16 C ATOM 76 CG1 ILE U 24 33.119 4.574 6.352 1.00 27.60 C ATOM 77 CG2 ILE U 24 34.100 2.250 6.859 1.00 28.39 C ATOM 78 CD1 ILE U 24 32.925 5.642 5.299 1.00 26.64 C ATOM 79 H ILE U 24 35.813 2.056 4.643 1.00 0.00 H ATOM 80 N GLU U 25 37.241 3.663 7.268 1.00 29.49 N ATOM 81 CA GLU U 25 38.150 4.100 8.361 1.00 30.93 C ATOM 82 C GLU U 25 38.990 5.328 8.018 1.00 32.63 C ATOM 83 O GLU U 25 39.392 6.081 8.914 1.00 34.93 O ATOM 84 CB GLU U 25 39.073 2.948 8.794 1.00 33.25 C ATOM 85 CG GLU U 25 38.326 1.761 9.375 1.00 34.87 C ATOM 86 CD GLU U 25 37.954 0.699 8.356 1.00 38.10 C ATOM 87 OE1 GLU U 25 37.920 0.996 7.136 1.00 40.26 O ATOM 88 OE2 GLU U 25 37.700 -0.447 8.777 1.00 40.29 O ATOM 89 H GLU U 25 37.338 2.704 6.878 1.00 0.00 H ATOM 90 N ASN U 26 39.258 5.540 6.729 1.00 29.03 N ATOM 91 CA ASN U 26 40.005 6.696 6.282 1.00 30.22 C ATOM 92 C ASN U 26 39.141 7.942 6.070 1.00 30.18 C ATOM 93 O ASN U 26 39.672 9.030 5.833 1.00 34.78 O ATOM 94 CB ASN U 26 40.759 6.340 4.991 1.00 30.56 C ATOM 95 CG ASN U 26 41.868 5.340 5.244 1.00 32.30 C ATOM 96 OD1 ASN U 26 42.474 5.347 6.318 1.00 32.03 O ATOM 97 ND2 ASN U 26 42.124 4.462 4.282 1.00 30.90 N ATOM 98 HD22 ASN U 26 41.587 4.494 3.392 1.00 0.00 H ATOM 99 HD21 ASN U 26 42.862 3.742 4.418 1.00 0.00 H ATOM 100 H ASN U 26 38.920 4.854 6.024 1.00 0.00 H ATOM 101 N GLN U 27 37.821 7.784 6.161 1.00 27.96 N ATOM 102 CA GLN U 27 36.872 8.882 5.966 1.00 29.80 C ATOM 103 C GLN U 27 35.587 8.561 6.714 1.00 28.81 C ATOM 104 O GLN U 27 34.527 8.431 6.096 1.00 27.23 O ATOM 105 CB GLN U 27 36.553 9.054 4.465 1.00 32.52 C ATOM 106 CG GLN U 27 37.653 9.688 3.643 1.00 37.18 C ATOM 107 CD GLN U 27 37.853 11.154 3.979 1.00 39.39 C ATOM 108 OE1 GLN U 27 36.934 11.973 3.854 1.00 46.55 O ATOM 109 NE2 GLN U 27 39.050 11.491 4.412 1.00 42.46 N ATOM 110 HE22 GLN U 27 39.793 10.769 4.501 1.00 0.00 H ATOM 111 HE21 GLN U 27 39.252 12.479 4.664 1.00 0.00 H ATOM 112 H GLN U 27 37.448 6.838 6.380 1.00 0.00 H ATOM 113 N PRO U 28 35.675 8.408 8.060 1.00 27.86 N ATOM 114 CA PRO U 28 34.595 7.786 8.846 1.00 26.66 C ATOM 115 C PRO U 28 33.329 8.629 9.021 1.00 25.81 C ATOM 116 O PRO U 28 32.327 8.127 9.551 1.00 27.15 O ATOM 117 CB PRO U 28 35.259 7.519 10.215 1.00 26.90 C ATOM 118 CG PRO U 28 36.360 8.510 10.297 1.00 27.99 C ATOM 119 CD PRO U 28 36.884 8.629 8.878 1.00 28.12 C ATOM 120 N TRP U 29 33.386 9.872 8.567 1.00 24.62 N ATOM 121 CA TRP U 29 32.246 10.796 8.547 1.00 24.39 C ATOM 122 C TRP U 29 31.477 10.677 7.237 1.00 24.28 C ATOM 123 O TRP U 29 30.470 11.325 7.077 1.00 22.53 O ATOM 124 CB TRP U 29 32.723 12.235 8.647 1.00 25.76 C ATOM 125 CG TRP U 29 33.860 12.553 7.728 1.00 30.13 C ATOM 126 CD1 TRP U 29 33.783 12.879 6.375 1.00 30.70 C ATOM 127 CD2 TRP U 29 35.253 12.536 8.049 1.00 31.19 C ATOM 128 NE1 TRP U 29 35.046 13.083 5.873 1.00 32.02 N ATOM 129 CE2 TRP U 29 35.963 12.868 6.871 1.00 32.78 C ATOM 130 CE3 TRP U 29 35.976 12.275 9.224 1.00 32.80 C ATOM 131 CZ2 TRP U 29 37.351 12.963 6.842 1.00 34.02 C ATOM 132 CZ3 TRP U 29 37.352 12.360 9.187 1.00 33.84 C ATOM 133 CH2 TRP U 29 38.028 12.703 8.004 1.00 32.79 C ATOM 134 HE1 TRP U 29 35.270 13.356 4.895 1.00 0.00 H ATOM 135 H TRP U 29 34.297 10.215 8.201 1.00 0.00 H ATOM 136 N PHE U 30 31.991 9.889 6.305 1.00 24.11 N ATOM 137 CA PHE U 30 31.301 9.721 5.014 1.00 23.36 C ATOM 138 C PHE U 30 29.946 9.027 5.125 1.00 22.65 C ATOM 139 O PHE U 30 29.828 7.906 5.638 1.00 21.65 O ATOM 140 CB PHE U 30 32.198 9.013 3.994 1.00 22.52 C ATOM 141 CG PHE U 30 31.579 8.974 2.622 1.00 23.16 C ATOM 142 CD1 PHE U 30 31.583 10.100 1.832 1.00 23.08 C ATOM 143 CD2 PHE U 30 30.940 7.843 2.177 1.00 23.65 C ATOM 144 CE1 PHE U 30 30.968 10.089 0.587 1.00 22.70 C ATOM 145 CE2 PHE U 30 30.317 7.825 0.943 1.00 23.64 C ATOM 146 CZ PHE U 30 30.345 8.952 0.150 1.00 22.52 C ATOM 147 H PHE U 30 32.884 9.387 6.485 1.00 0.00 H ATOM 148 N ALA U 31 28.912 9.690 4.602 1.00 22.39 N ATOM 149 CA ALA U 31 27.565 9.159 4.598 1.00 24.26 C ATOM 150 C ALA U 31 27.190 8.771 3.188 1.00 23.54 C ATOM 151 O ALA U 31 27.452 9.534 2.266 1.00 23.53 O ATOM 152 CB ALA U 31 26.580 10.186 5.126 1.00 26.26 C ATOM 153 H ALA U 31 29.081 10.626 4.180 1.00 0.00 H ATOM 154 N ALA U 32 26.616 7.583 3.046 1.00 24.96 N ATOM 155 CA ALA U 32 26.110 7.084 1.761 1.00 25.12 C ATOM 156 C ALA U 32 24.592 7.223 1.754 1.00 27.38 C ATOM 157 O ALA U 32 23.889 6.657 2.625 1.00 25.58 O ATOM 158 CB ALA U 32 26.509 5.645 1.571 1.00 24.91 C ATOM 159 H ALA U 32 26.520 6.976 3.885 1.00 0.00 H ATOM 160 N ILE U 33 24.080 7.970 0.775 1.00 26.19 N ATOM 161 CA ILE U 33 22.650 8.280 0.711 1.00 26.46 C ATOM 162 C ILE U 33 21.979 7.589 -0.482 1.00 27.59 C ATOM 163 O ILE U 33 22.447 7.695 -1.632 1.00 27.70 O ATOM 164 CB ILE U 33 22.404 9.806 0.679 1.00 24.99 C ATOM 165 CG1 ILE U 33 23.003 10.468 1.931 1.00 24.73 C ATOM 166 CG2 ILE U 33 20.908 10.101 0.574 1.00 25.31 C ATOM 167 CD1 ILE U 33 23.162 11.978 1.850 1.00 24.84 C ATOM 168 H ILE U 33 24.712 8.342 0.038 1.00 0.00 H ATOM 169 N TYR U 34 20.890 6.879 -0.182 1.00 28.80 N ATOM 170 CA TYR U 34 20.166 6.042 -1.132 1.00 28.60 C ATOM 171 C TYR U 34 18.677 6.389 -1.166 1.00 30.70 C ATOM 172 O TYR U 34 18.117 6.883 -0.190 1.00 31.10 O ATOM 173 CB TYR U 34 20.271 4.563 -0.759 1.00 28.67 C ATOM 174 CG TYR U 34 21.674 3.978 -0.668 1.00 28.95 C ATOM 175 CD1 TYR U 34 22.503 4.259 0.415 1.00 27.66 C ATOM 176 CD2 TYR U 34 22.145 3.103 -1.647 1.00 29.62 C ATOM 177 CE1 TYR U 34 23.777 3.718 0.500 1.00 28.16 C ATOM 178 CE2 TYR U 34 23.414 2.552 -1.566 1.00 28.93 C ATOM 179 CZ TYR U 34 24.225 2.860 -0.492 1.00 27.54 C ATOM 180 OH TYR U 34 25.482 2.298 -0.423 1.00 28.86 O ATOM 181 HH TYR U 34 25.400 1.312 -0.399 1.00 0.00 H ATOM 182 H TYR U 34 20.534 6.925 0.794 1.00 0.00 H ATOM 183 N ARG U 35 18.021 6.060 -2.252 1.00 34.22 N ATOM 184 CA ARG U 35 16.606 6.354 -2.389 1.00 39.24 C ATOM 185 C ARG U 35 15.838 5.069 -2.618 1.00 40.37 C ATOM 186 O ARG U 35 16.172 4.321 -3.471 1.00 41.06 O ATOM 187 CB ARG U 35 16.373 7.345 -3.555 1.00 39.55 C ATOM 188 CG ARG U 35 14.950 7.832 -3.783 1.00 42.26 C ATOM 189 CD ARG U 35 14.870 9.174 -4.514 1.00 43.71 C ATOM 190 NE ARG U 35 15.627 9.196 -5.757 1.00 46.50 N ATOM 191 CZ ARG U 35 16.413 10.197 -6.152 1.00 47.07 C ATOM 192 NH1 ARG U 35 17.060 10.084 -7.289 1.00 47.15 N ATOM 193 NH2 ARG U 35 16.563 11.297 -5.423 1.00 47.28 N ATOM 194 HE ARG U 35 15.549 8.369 -6.383 1.00 0.00 H ATOM 195 HH12 ARG U 35 17.678 10.854 -7.614 1.00 0.00 H ATOM 196 HH11 ARG U 35 16.954 9.224 -7.864 1.00 0.00 H ATOM 197 HH22 ARG U 35 17.183 12.062 -5.757 1.00 0.00 H ATOM 198 HH21 ARG U 35 16.060 11.394 -4.518 1.00 0.00 H ATOM 199 H ARG U 35 18.522 5.581 -3.027 1.00 0.00 H ATOM 200 N ARG U 36 14.786 4.855 -1.859 1.00 45.25 N ATOM 201 CA ARG U 36 13.961 3.679 -2.061 1.00 49.51 C ATOM 202 C ARG U 36 12.977 3.861 -3.185 1.00 52.28 C ATOM 203 O ARG U 36 12.491 4.942 -3.423 1.00 57.18 O ATOM 204 CB ARG U 36 13.265 3.241 -0.777 1.00 50.37 C ATOM 205 CG ARG U 36 12.750 4.367 0.075 1.00 50.55 C ATOM 206 CD ARG U 36 11.789 3.896 1.149 1.00 51.56 C ATOM 207 NE ARG U 36 12.358 3.113 2.233 1.00 50.68 N ATOM 208 CZ ARG U 36 12.832 3.611 3.357 1.00 50.51 C ATOM 209 NH1 ARG U 36 13.292 2.819 4.282 1.00 51.21 N ATOM 210 NH2 ARG U 36 12.857 4.895 3.555 1.00 50.68 N ATOM 211 HE ARG U 36 12.394 2.081 2.112 1.00 0.00 H ATOM 212 HH12 ARG U 36 13.665 3.216 5.168 1.00 0.00 H ATOM 213 HH11 ARG U 36 13.286 1.789 4.135 1.00 0.00 H ATOM 214 HH22 ARG U 36 13.234 5.276 4.446 1.00 0.00 H ATOM 215 HH21 ARG U 36 12.501 5.541 2.822 1.00 0.00 H ATOM 216 H ARG U 36 14.544 5.533 -1.109 1.00 0.00 H ATOM 217 N HIS U 37 12.700 2.786 -3.897 1.00 55.98 N ATOM 218 CA HIS U 37 11.698 2.821 -4.942 1.00 57.14 C ATOM 219 C HIS U 37 10.410 2.101 -4.500 1.00 56.97 C ATOM 220 O HIS U 37 10.340 1.559 -3.414 1.00 55.19 O ATOM 221 CB HIS U 37 12.229 2.249 -6.240 1.00 58.18 C ATOM 222 CG HIS U 37 13.411 2.976 -6.774 1.00 59.64 C ATOM 223 ND1 HIS U 37 13.584 3.226 -8.112 1.00 61.31 N ATOM 224 CD2 HIS U 37 14.482 3.506 -6.151 1.00 60.30 C ATOM 225 CE1 HIS U 37 14.711 3.887 -8.291 1.00 61.71 C ATOM 226 NE2 HIS U 37 15.272 4.073 -7.114 1.00 61.25 N ATOM 227 H HIS U 37 13.209 1.900 -3.705 1.00 0.00 H ATOM 228 N ARG U 37A 9.395 2.155 -5.356 1.00 83.47 N ATOM 229 CA ARG U 37A 8.076 1.579 -5.069 1.00 82.03 C ATOM 230 C ARG U 37A 8.019 0.063 -5.068 1.00 82.87 C ATOM 231 O ARG U 37A 7.560 -0.531 -4.091 1.00 81.97 O ATOM 232 CB ARG U 37A 7.008 2.138 -6.005 1.00 80.45 C ATOM 233 CG ARG U 37A 7.028 3.638 -6.091 1.00 79.47 C ATOM 234 CD ARG U 37A 5.988 4.306 -5.216 1.00 76.97 C ATOM 235 NE ARG U 37A 5.023 3.402 -4.624 1.00 75.93 N ATOM 236 CZ ARG U 37A 3.861 3.088 -5.176 1.00 76.14 C ATOM 237 NH1 ARG U 37A 3.037 2.273 -4.551 1.00 76.86 N ATOM 238 NH2 ARG U 37A 3.516 3.581 -6.348 1.00 74.80 N ATOM 239 HE ARG U 37A 5.258 2.972 -3.707 1.00 0.00 H ATOM 240 HH12 ARG U 37A 2.124 2.025 -4.983 1.00 0.00 H ATOM 241 HH11 ARG U 37A 3.299 1.877 -3.626 1.00 0.00 H ATOM 242 HH22 ARG U 37A 2.600 3.326 -6.770 1.00 0.00 H ATOM 243 HH21 ARG U 37A 4.159 4.225 -6.851 1.00 0.00 H ATOM 244 H ARG U 37A 9.542 2.627 -6.271 1.00 0.00 H ATOM 245 N GLY U 37B 8.458 -0.554 -6.160 1.00 66.24 N ATOM 246 CA GLY U 37B 8.511 -1.994 -6.248 1.00 67.09 C ATOM 247 C GLY U 37B 9.595 -2.545 -5.345 1.00 68.41 C ATOM 248 O GLY U 37B 9.934 -3.721 -5.413 1.00 67.90 O ATOM 249 H GLY U 37B 8.771 0.015 -6.972 1.00 0.00 H ATOM 250 N GLY U 37C 10.170 -1.670 -4.522 1.00 75.62 N ATOM 251 CA GLY U 37C 11.171 -2.060 -3.547 1.00 76.96 C ATOM 252 C GLY U 37C 12.673 -1.864 -3.752 1.00 77.66 C ATOM 253 O GLY U 37C 13.382 -1.962 -2.768 1.00 77.08 O ATOM 254 H GLY U 37C 9.891 -0.670 -4.580 1.00 0.00 H ATOM 255 N SER U 37D 13.157 -1.612 -4.970 1.00 57.59 N ATOM 256 CA SER U 37D 14.605 -1.433 -5.234 1.00 55.27 C ATOM 257 C SER U 37D 15.240 -0.174 -4.642 1.00 52.84 C ATOM 258 O SER U 37D 14.654 0.874 -4.701 1.00 54.33 O ATOM 259 CB SER U 37D 14.878 -1.445 -6.725 1.00 55.99 C ATOM 260 OG SER U 37D 14.258 -0.365 -7.367 1.00 56.03 O ATOM 261 HG SER U 37D 14.603 0.483 -6.991 1.00 0.00 H ATOM 262 H SER U 37D 12.492 -1.538 -5.766 1.00 0.00 H ATOM 263 N VAL U 38 16.443 -0.301 -4.090 1.00 47.35 N ATOM 264 CA VAL U 38 17.138 0.804 -3.451 1.00 45.70 C ATOM 265 C VAL U 38 18.393 1.217 -4.212 1.00 42.13 C ATOM 266 O VAL U 38 19.222 0.411 -4.474 1.00 45.28 O ATOM 267 CB VAL U 38 17.501 0.440 -2.013 1.00 45.46 C ATOM 268 CG1 VAL U 38 18.349 1.497 -1.381 1.00 46.10 C ATOM 269 CG2 VAL U 38 16.253 0.261 -1.194 1.00 46.27 C ATOM 270 H VAL U 38 16.907 -1.231 -4.117 1.00 0.00 H ATOM 271 N THR U 39 18.526 2.491 -4.524 1.00 39.18 N ATOM 272 CA THR U 39 19.608 2.950 -5.356 1.00 36.87 C ATOM 273 C THR U 39 20.346 4.114 -4.744 1.00 33.06 C ATOM 274 O THR U 39 19.773 4.911 -4.094 1.00 32.47 O ATOM 275 CB THR U 39 19.113 3.433 -6.712 1.00 37.50 C ATOM 276 OG1 THR U 39 18.212 4.497 -6.520 1.00 37.27 O ATOM 277 CG2 THR U 39 18.414 2.335 -7.475 1.00 38.93 C ATOM 278 HG1 THR U 39 18.672 5.237 -6.050 1.00 0.00 H ATOM 279 H THR U 39 17.835 3.179 -4.162 1.00 0.00 H ATOM 280 N TYR U 40 21.626 4.189 -5.022 1.00 32.49 N ATOM 281 CA TYR U 40 22.475 5.243 -4.501 1.00 29.59 C ATOM 282 C TYR U 40 22.128 6.594 -5.100 1.00 31.19 C ATOM 283 O TYR U 40 21.869 6.709 -6.312 1.00 30.93 O ATOM 284 CB TYR U 40 23.929 4.957 -4.810 1.00 28.96 C ATOM 285 CG TYR U 40 24.876 5.863 -4.085 1.00 26.79 C ATOM 286 CD1 TYR U 40 25.041 5.753 -2.697 1.00 25.65 C ATOM 287 CD2 TYR U 40 25.634 6.805 -4.757 1.00 25.44 C ATOM 288 CE1 TYR U 40 25.923 6.568 -2.022 1.00 24.72 C ATOM 289 CE2 TYR U 40 26.525 7.634 -4.077 1.00 25.53 C ATOM 290 CZ TYR U 40 26.668 7.497 -2.695 1.00 24.59 C ATOM 291 OH TYR U 40 27.554 8.280 -1.990 1.00 23.87 O ATOM 292 HH TYR U 40 28.471 8.129 -2.332 1.00 0.00 H ATOM 293 H TYR U 40 22.048 3.466 -5.639 1.00 0.00 H ATOM 294 N VAL U 41 22.154 7.613 -4.248 1.00 28.86 N ATOM 295 CA VAL U 41 21.803 8.970 -4.638 1.00 29.80 C ATOM 296 C VAL U 41 23.011 9.905 -4.619 1.00 29.81 C ATOM 297 O VAL U 41 23.406 10.463 -5.656 1.00 28.00 O ATOM 298 CB VAL U 41 20.720 9.524 -3.706 1.00 29.48 C ATOM 299 CG1 VAL U 41 20.434 10.985 -4.003 1.00 30.60 C ATOM 300 CG2 VAL U 41 19.456 8.694 -3.827 1.00 31.43 C ATOM 301 H VAL U 41 22.436 7.434 -3.263 1.00 0.00 H ATOM 302 N CYS U 42 23.594 10.067 -3.433 1.00 26.27 N ATOM 303 CA CYS U 42 24.594 11.094 -3.187 1.00 26.61 C ATOM 304 C CYS U 42 25.425 10.749 -1.960 1.00 24.10 C ATOM 305 O CYS U 42 25.031 9.909 -1.170 1.00 22.56 O ATOM 306 CB CYS U 42 23.920 12.452 -2.951 1.00 31.14 C ATOM 307 SG CYS U 42 23.683 13.384 -4.480 1.00 38.59 S ATOM 308 H CYS U 42 23.324 9.435 -2.653 1.00 0.00 H ATOM 309 N GLY U 43 26.564 11.417 -1.843 1.00 22.20 N ATOM 310 CA GLY U 43 27.381 11.423 -0.615 1.00 22.37 C ATOM 311 C GLY U 43 26.886 12.474 0.363 1.00 21.17 C ATOM 312 O GLY U 43 26.004 13.279 0.071 1.00 21.43 O ATOM 313 H GLY U 43 26.899 11.966 -2.660 1.00 0.00 H ATOM 314 N GLY U 44 27.448 12.440 1.568 1.00 22.41 N ATOM 315 CA GLY U 44 27.151 13.429 2.576 1.00 21.59 C ATOM 316 C GLY U 44 28.204 13.264 3.656 1.00 21.88 C ATOM 317 O GLY U 44 29.042 12.361 3.561 1.00 18.83 O ATOM 318 H GLY U 44 28.121 11.679 1.790 1.00 0.00 H ATOM 319 N SER U 45 28.126 14.107 4.692 1.00 23.70 N ATOM 320 CA SER U 45 29.146 14.145 5.732 1.00 25.64 C ATOM 321 C SER U 45 28.474 14.232 7.114 1.00 28.64 C ATOM 322 O SER U 45 27.565 15.035 7.312 1.00 29.15 O ATOM 323 CB SER U 45 30.048 15.346 5.534 1.00 26.38 C ATOM 324 OG SER U 45 30.799 15.288 4.333 1.00 26.71 O ATOM 325 HG SER U 45 30.181 15.247 3.561 1.00 0.00 H ATOM 326 H SER U 45 27.314 14.754 4.757 1.00 0.00 H ATOM 327 N LEU U 46 28.899 13.384 8.042 1.00 30.35 N ATOM 328 CA LEU U 46 28.321 13.381 9.396 1.00 31.38 C ATOM 329 C LEU U 46 28.965 14.517 10.186 1.00 31.61 C ATOM 330 O LEU U 46 30.174 14.528 10.391 1.00 32.05 O ATOM 331 CB LEU U 46 28.528 12.024 10.080 1.00 31.79 C ATOM 332 CG LEU U 46 27.783 11.825 11.409 1.00 31.85 C ATOM 333 CD1 LEU U 46 26.297 11.637 11.169 1.00 30.35 C ATOM 334 CD2 LEU U 46 28.371 10.650 12.187 1.00 33.05 C ATOM 335 H LEU U 46 29.655 12.709 7.808 1.00 0.00 H ATOM 336 N ILE U 47 28.159 15.503 10.579 1.00 32.60 N ATOM 337 CA ILE U 47 28.658 16.658 11.338 1.00 35.02 C ATOM 338 C ILE U 47 28.195 16.634 12.796 1.00 36.10 C ATOM 339 O ILE U 47 28.649 17.444 13.592 1.00 40.77 O ATOM 340 CB ILE U 47 28.242 18.010 10.726 1.00 36.32 C ATOM 341 CG1 ILE U 47 26.711 18.146 10.646 1.00 35.89 C ATOM 342 CG2 ILE U 47 28.900 18.223 9.367 1.00 34.44 C ATOM 343 CD1 ILE U 47 26.263 19.530 10.225 1.00 39.19 C ATOM 344 H ILE U 47 27.148 15.453 10.342 1.00 0.00 H ATOM 345 N SER U 48 27.266 15.745 13.120 1.00 38.20 N ATOM 346 CA SER U 48 26.922 15.447 14.509 1.00 39.94 C ATOM 347 C SER U 48 26.159 14.132 14.489 1.00 41.44 C ATOM 348 O SER U 48 25.713 13.701 13.426 1.00 39.22 O ATOM 349 CB SER U 48 26.102 16.573 15.149 1.00 39.66 C ATOM 350 OG SER U 48 24.780 16.597 14.663 1.00 40.42 O ATOM 351 HG SER U 48 24.283 17.335 15.098 1.00 0.00 H ATOM 352 H SER U 48 26.765 15.243 12.360 1.00 0.00 H ATOM 353 N PRO U 49 26.013 13.474 15.650 1.00 40.98 N ATOM 354 CA PRO U 49 25.377 12.160 15.634 1.00 41.07 C ATOM 355 C PRO U 49 24.021 12.092 14.933 1.00 40.90 C ATOM 356 O PRO U 49 23.714 11.058 14.337 1.00 40.43 O ATOM 357 CB PRO U 49 25.238 11.829 17.123 1.00 43.05 C ATOM 358 CG PRO U 49 26.402 12.517 17.739 1.00 42.11 C ATOM 359 CD PRO U 49 26.536 13.809 16.988 1.00 42.30 C ATOM 360 N CYS U 50 23.225 13.165 14.988 1.00 41.34 N ATOM 361 CA CYS U 50 21.897 13.152 14.372 1.00 40.08 C ATOM 362 C CYS U 50 21.809 13.853 13.011 1.00 37.28 C ATOM 363 O CYS U 50 20.759 13.799 12.395 1.00 36.13 O ATOM 364 CB CYS U 50 20.864 13.780 15.311 1.00 43.40 C ATOM 365 SG CYS U 50 20.742 12.968 16.922 1.00 46.26 S ATOM 366 H CYS U 50 23.554 14.022 15.476 1.00 0.00 H ATOM 367 N TRP U 51 22.896 14.476 12.544 1.00 35.25 N ATOM 368 CA TRP U 51 22.858 15.321 11.344 1.00 34.45 C ATOM 369 C TRP U 51 23.882 14.969 10.274 1.00 31.87 C ATOM 370 O TRP U 51 25.065 14.793 10.559 1.00 30.98 O ATOM 371 CB TRP U 51 23.056 16.785 11.723 1.00 35.18 C ATOM 372 CG TRP U 51 21.888 17.313 12.471 1.00 36.49 C ATOM 373 CD1 TRP U 51 21.733 17.361 13.825 1.00 37.21 C ATOM 374 CD2 TRP U 51 20.678 17.828 11.905 1.00 36.91 C ATOM 375 NE1 TRP U 51 20.506 17.897 14.141 1.00 37.12 N ATOM 376 CE2 TRP U 51 19.841 18.200 12.979 1.00 38.17 C ATOM 377 CE3 TRP U 51 20.229 18.033 10.596 1.00 38.03 C ATOM 378 CZ2 TRP U 51 18.573 18.754 12.780 1.00 37.71 C ATOM 379 CZ3 TRP U 51 18.968 18.591 10.398 1.00 39.09 C ATOM 380 CH2 TRP U 51 18.157 18.947 11.485 1.00 39.56 C ATOM 381 HE1 TRP U 51 20.142 18.048 15.103 1.00 0.00 H ATOM 382 H TRP U 51 23.798 14.358 13.048 1.00 0.00 H ATOM 383 N VAL U 52 23.408 14.938 9.032 1.00 30.72 N ATOM 384 CA VAL U 52 24.274 14.772 7.875 1.00 28.33 C ATOM 385 C VAL U 52 24.091 15.962 6.955 1.00 28.14 C ATOM 386 O VAL U 52 22.969 16.420 6.759 1.00 28.91 O ATOM 387 CB VAL U 52 23.936 13.475 7.143 1.00 27.93 C ATOM 388 CG1 VAL U 52 24.597 13.436 5.756 1.00 26.31 C ATOM 389 CG2 VAL U 52 24.364 12.288 7.992 1.00 28.43 C ATOM 390 H VAL U 52 22.383 15.036 8.883 1.00 0.00 H ATOM 391 N ILE U 53 25.191 16.460 6.395 1.00 27.71 N ATOM 392 CA ILE U 53 25.140 17.568 5.466 1.00 26.45 C ATOM 393 C ILE U 53 25.443 17.023 4.071 1.00 25.63 C ATOM 394 O ILE U 53 26.304 16.160 3.898 1.00 22.17 O ATOM 395 CB ILE U 53 26.097 18.723 5.861 1.00 28.08 C ATOM 396 CG1 ILE U 53 25.737 20.030 5.133 1.00 27.25 C ATOM 397 CG2 ILE U 53 27.551 18.355 5.637 1.00 27.31 C ATOM 398 CD1 ILE U 53 26.129 21.276 5.902 1.00 28.34 C ATOM 399 H ILE U 53 26.113 16.041 6.632 1.00 0.00 H ATOM 400 N SER U 54 24.712 17.536 3.093 1.00 26.27 N ATOM 401 CA SER U 54 24.896 17.133 1.703 1.00 24.92 C ATOM 402 C SER U 54 24.494 18.313 0.788 1.00 25.31 C ATOM 403 O SER U 54 24.561 19.476 1.199 1.00 25.74 O ATOM 404 CB SER U 54 24.091 15.867 1.440 1.00 25.49 C ATOM 405 OG SER U 54 24.337 15.314 0.152 1.00 24.77 O ATOM 406 HG SER U 54 25.297 15.085 0.070 1.00 0.00 H ATOM 407 H SER U 54 23.987 18.246 3.322 1.00 0.00 H ATOM 408 N ALA U 55 24.108 18.013 -0.454 1.00 25.86 N ATOM 409 CA ALA U 55 23.736 19.025 -1.456 1.00 26.72 C ATOM 410 C ALA U 55 22.235 18.950 -1.799 1.00 26.04 C ATOM 411 O ALA U 55 21.674 17.860 -1.906 1.00 24.80 O ATOM 412 CB ALA U 55 24.561 18.809 -2.714 1.00 27.03 C ATOM 413 H ALA U 55 24.068 17.011 -0.728 1.00 0.00 H ATOM 414 N THR U 56 21.595 20.109 -1.977 1.00 26.11 N ATOM 415 CA THR U 56 20.143 20.168 -2.211 1.00 27.26 C ATOM 416 C THR U 56 19.781 19.500 -3.534 1.00 27.47 C ATOM 417 O THR U 56 18.750 18.839 -3.639 1.00 29.19 O ATOM 418 CB THR U 56 19.577 21.621 -2.119 1.00 27.92 C ATOM 419 OG1 THR U 56 19.357 21.970 -0.750 1.00 27.34 O ATOM 420 CG2 THR U 56 18.219 21.773 -2.823 1.00 27.12 C ATOM 421 HG1 THR U 56 20.214 21.920 -0.256 1.00 0.00 H ATOM 422 H THR U 56 22.138 20.995 -1.949 1.00 0.00 H ATOM 423 N HIS U 57 20.659 19.601 -4.526 1.00 29.92 N ATOM 424 CA HIS U 57 20.314 19.096 -5.858 1.00 29.18 C ATOM 425 C HIS U 57 20.081 17.590 -5.851 1.00 31.11 C ATOM 426 O HIS U 57 19.434 17.061 -6.755 1.00 27.43 O ATOM 427 CB HIS U 57 21.357 19.507 -6.895 1.00 30.72 C ATOM 428 CG HIS U 57 22.581 18.645 -6.935 1.00 33.24 C ATOM 429 ND1 HIS U 57 23.787 19.038 -6.399 1.00 33.58 N ATOM 430 CD2 HIS U 57 22.802 17.438 -7.507 1.00 35.42 C ATOM 431 CE1 HIS U 57 24.693 18.104 -6.620 1.00 35.21 C ATOM 432 NE2 HIS U 57 24.120 17.117 -7.282 1.00 37.42 N ATOM 433 H HIS U 57 21.588 20.037 -4.358 1.00 0.00 H ATOM 434 N CYS U 58 20.594 16.910 -4.815 1.00 30.06 N ATOM 435 CA CYS U 58 20.421 15.473 -4.654 1.00 32.04 C ATOM 436 C CYS U 58 18.982 15.069 -4.372 1.00 33.04 C ATOM 437 O CYS U 58 18.598 13.929 -4.626 1.00 32.43 O ATOM 438 CB CYS U 58 21.318 14.957 -3.517 1.00 34.46 C ATOM 439 SG CYS U 58 23.072 15.201 -3.852 1.00 37.86 S ATOM 440 H CYS U 58 21.138 17.430 -4.097 1.00 0.00 H ATOM 441 N PHE U 59 18.235 16.019 -3.861 1.00 32.77 N ATOM 442 CA PHE U 59 16.948 15.750 -3.298 1.00 33.43 C ATOM 443 C PHE U 59 15.812 16.514 -3.921 1.00 34.06 C ATOM 444 O PHE U 59 14.687 16.192 -3.696 1.00 35.61 O ATOM 445 CB PHE U 59 16.986 16.048 -1.816 1.00 32.48 C ATOM 446 CG PHE U 59 18.124 15.387 -1.128 1.00 31.12 C ATOM 447 CD1 PHE U 59 18.084 14.058 -0.868 1.00 32.32 C ATOM 448 CD2 PHE U 59 19.248 16.085 -0.806 1.00 30.44 C ATOM 449 CE1 PHE U 59 19.142 13.434 -0.272 1.00 30.72 C ATOM 450 CE2 PHE U 59 20.309 15.470 -0.238 1.00 29.28 C ATOM 451 CZ PHE U 59 20.254 14.149 0.036 1.00 30.01 C ATOM 452 H PHE U 59 18.589 16.997 -3.865 1.00 0.00 H ATOM 453 N ILE U 60 16.127 17.533 -4.676 1.00 36.39 N ATOM 454 CA ILE U 60 15.109 18.438 -5.122 1.00 38.69 C ATOM 455 C ILE U 60 14.032 17.745 -5.927 1.00 37.99 C ATOM 456 O ILE U 60 12.889 18.070 -5.794 1.00 39.70 O ATOM 457 CB ILE U 60 15.714 19.610 -5.883 1.00 39.74 C ATOM 458 CG1 ILE U 60 14.739 20.765 -5.927 1.00 40.43 C ATOM 459 CG2 ILE U 60 16.100 19.186 -7.266 1.00 40.60 C ATOM 460 CD1 ILE U 60 14.588 21.448 -4.610 1.00 39.89 C ATOM 461 H ILE U 60 17.117 17.687 -4.954 1.00 0.00 H ATOM 462 N ASP U 60A 14.428 16.792 -6.756 1.00 54.20 N ATOM 463 CA ASP U 60A 13.541 16.114 -7.691 1.00 53.90 C ATOM 464 C ASP U 60A 12.559 15.180 -6.986 1.00 52.89 C ATOM 465 O ASP U 60A 11.468 14.981 -7.460 1.00 50.83 O ATOM 466 CB ASP U 60A 14.332 15.390 -8.798 1.00 55.00 C ATOM 467 CG ASP U 60A 15.011 16.356 -9.801 1.00 54.86 C ATOM 468 OD1 ASP U 60A 14.571 17.494 -9.962 1.00 55.36 O ATOM 469 OD2 ASP U 60A 15.996 15.978 -10.428 1.00 57.40 O ATOM 470 H ASP U 60A 15.429 16.512 -6.739 1.00 0.00 H ATOM 471 N TYR U 60B 12.954 14.660 -5.827 1.00 46.07 N ATOM 472 CA TYR U 60B 12.117 13.845 -4.964 1.00 48.29 C ATOM 473 C TYR U 60B 12.253 14.302 -3.504 1.00 48.35 C ATOM 474 O TYR U 60B 12.916 13.648 -2.740 1.00 43.18 O ATOM 475 CB TYR U 60B 12.503 12.360 -5.077 1.00 49.97 C ATOM 476 CG TYR U 60B 12.352 11.777 -6.469 1.00 52.37 C ATOM 477 CD1 TYR U 60B 11.140 11.308 -6.902 1.00 54.54 C ATOM 478 CD2 TYR U 60B 13.413 11.729 -7.351 1.00 53.91 C ATOM 479 CE1 TYR U 60B 10.988 10.807 -8.181 1.00 56.69 C ATOM 480 CE2 TYR U 60B 13.263 11.218 -8.630 1.00 55.24 C ATOM 481 CZ TYR U 60B 12.043 10.756 -9.020 1.00 56.37 C ATOM 482 OH TYR U 60B 11.833 10.243 -10.254 1.00 62.65 O ATOM 483 HH TYR U 60B 10.886 9.966 -10.338 1.00 0.00 H ATOM 484 H TYR U 60B 13.929 14.850 -5.518 1.00 0.00 H ATOM 485 N PRO U 60C 11.617 15.509 -3.143 1.00 47.98 N ATOM 486 CA PRO U 60C 11.954 15.987 -1.790 1.00 48.30 C ATOM 487 C PRO U 60C 11.180 15.446 -0.602 1.00 47.61 C ATOM 488 O PRO U 60C 10.997 16.141 0.353 1.00 52.94 O ATOM 489 CB PRO U 60C 11.749 17.473 -1.873 1.00 49.25 C ATOM 490 CG PRO U 60C 10.613 17.639 -2.768 1.00 49.12 C ATOM 491 CD PRO U 60C 10.689 16.571 -3.777 1.00 48.94 C ATOM 492 N LYS U 61 10.789 14.193 -0.659 1.00 47.27 N ATOM 493 CA LYS U 61 10.077 13.562 0.414 1.00 46.51 C ATOM 494 C LYS U 61 11.023 12.747 1.279 1.00 43.26 C ATOM 495 O LYS U 61 11.521 11.769 0.851 1.00 40.74 O ATOM 496 CB LYS U 61 9.026 12.634 -0.169 1.00 49.10 C ATOM 497 CG LYS U 61 7.851 13.319 -0.845 1.00 52.31 C ATOM 498 CD LYS U 61 7.137 14.262 0.109 1.00 54.26 C ATOM 499 CE LYS U 61 5.627 14.157 0.023 1.00 55.66 C ATOM 500 NZ LYS U 61 4.957 14.724 1.226 1.00 57.35 N ATOM 501 HZ1 LYS U 61 5.271 14.207 2.072 1.00 0.00 H ATOM 502 HZ2 LYS U 61 5.208 15.729 1.320 1.00 0.00 H ATOM 503 HZ3 LYS U 61 3.926 14.631 1.124 1.00 0.00 H ATOM 504 H LYS U 61 11.003 13.639 -1.513 1.00 0.00 H ATOM 505 N LYS U 62 11.200 13.136 2.522 1.00 43.18 N ATOM 506 CA LYS U 62 12.127 12.467 3.399 1.00 43.31 C ATOM 507 C LYS U 62 11.930 10.980 3.533 1.00 43.00 C ATOM 508 O LYS U 62 12.882 10.267 3.683 1.00 44.21 O ATOM 509 CB LYS U 62 12.102 13.094 4.775 1.00 42.05 C ATOM 510 CG LYS U 62 10.749 13.067 5.422 1.00 43.59 C ATOM 511 CD LYS U 62 10.842 13.381 6.894 1.00 44.04 C ATOM 512 CE LYS U 62 9.722 14.261 7.409 1.00 46.42 C ATOM 513 NZ LYS U 62 9.181 13.810 8.709 1.00 46.10 N ATOM 514 HZ1 LYS U 62 8.805 12.845 8.611 1.00 0.00 H ATOM 515 HZ2 LYS U 62 9.940 13.817 9.420 1.00 0.00 H ATOM 516 HZ3 LYS U 62 8.419 14.452 9.007 1.00 0.00 H ATOM 517 H LYS U 62 10.657 13.947 2.882 1.00 0.00 H ATOM 518 N GLU U 62A 10.695 10.508 3.507 1.00 41.64 N ATOM 519 CA GLU U 62A 10.450 9.089 3.698 1.00 43.77 C ATOM 520 C GLU U 62A 11.111 8.271 2.611 1.00 41.52 C ATOM 521 O GLU U 62A 11.117 7.074 2.663 1.00 41.60 O ATOM 522 CB GLU U 62A 8.968 8.760 3.686 1.00 44.94 C ATOM 523 CG GLU U 62A 8.154 9.294 4.821 1.00 47.56 C ATOM 524 CD GLU U 62A 7.886 10.766 4.711 1.00 49.01 C ATOM 525 OE1 GLU U 62A 7.943 11.288 3.605 1.00 48.95 O ATOM 526 OE2 GLU U 62A 7.642 11.394 5.745 1.00 52.06 O ATOM 527 H GLU U 62A 9.896 11.155 3.349 1.00 0.00 H ATOM 528 N ASP U 63 11.627 8.932 1.602 1.00 40.51 N ATOM 529 CA ASP U 63 12.133 8.244 0.446 1.00 40.63 C ATOM 530 C ASP U 63 13.606 7.872 0.561 1.00 37.81 C ATOM 531 O ASP U 63 14.125 7.253 -0.309 1.00 38.05 O ATOM 532 CB ASP U 63 11.960 9.120 -0.781 1.00 43.15 C ATOM 533 CG ASP U 63 10.534 9.140 -1.306 1.00 46.32 C ATOM 534 OD1 ASP U 63 9.597 8.713 -0.621 1.00 47.31 O ATOM 535 OD2 ASP U 63 10.362 9.588 -2.430 1.00 49.58 O ATOM 536 H ASP U 63 11.671 9.970 1.639 1.00 0.00 H ATOM 537 N TYR U 64 14.266 8.287 1.622 1.00 36.63 N ATOM 538 CA TYR U 64 15.704 8.172 1.702 1.00 36.57 C ATOM 539 C TYR U 64 16.201 7.304 2.832 1.00 37.45 C ATOM 540 O TYR U 64 15.622 7.281 3.882 1.00 37.09 O ATOM 541 CB TYR U 64 16.337 9.566 1.774 1.00 35.38 C ATOM 542 CG TYR U 64 16.083 10.347 0.532 1.00 34.06 C ATOM 543 CD1 TYR U 64 16.901 10.231 -0.540 1.00 34.73 C ATOM 544 CD2 TYR U 64 14.994 11.140 0.420 1.00 34.15 C ATOM 545 CE1 TYR U 64 16.661 10.903 -1.691 1.00 34.24 C ATOM 546 CE2 TYR U 64 14.742 11.826 -0.722 1.00 33.79 C ATOM 547 CZ TYR U 64 15.582 11.700 -1.778 1.00 34.17 C ATOM 548 OH TYR U 64 15.346 12.371 -2.922 1.00 33.05 O ATOM 549 HH TYR U 64 14.466 12.100 -3.287 1.00 0.00 H ATOM 550 H TYR U 64 13.742 8.705 2.417 1.00 0.00 H ATOM 551 N ILE U 65 17.302 6.618 2.585 1.00 35.57 N ATOM 552 CA ILE U 65 18.022 5.868 3.606 1.00 35.09 C ATOM 553 C ILE U 65 19.455 6.378 3.672 1.00 34.89 C ATOM 554 O ILE U 65 20.036 6.644 2.667 1.00 32.13 O ATOM 555 CB ILE U 65 18.056 4.363 3.278 1.00 36.42 C ATOM 556 CG1 ILE U 65 16.650 3.806 3.168 1.00 37.83 C ATOM 557 CG2 ILE U 65 18.766 3.576 4.348 1.00 37.12 C ATOM 558 CD1 ILE U 65 16.536 2.627 2.259 1.00 37.92 C ATOM 559 H ILE U 65 17.674 6.613 1.614 1.00 0.00 H ATOM 560 N VAL U 66 19.992 6.542 4.862 1.00 30.74 N ATOM 561 CA VAL U 66 21.377 6.951 5.025 1.00 30.55 C ATOM 562 C VAL U 66 22.147 5.798 5.660 1.00 31.64 C ATOM 563 O VAL U 66 21.687 5.205 6.635 1.00 31.69 O ATOM 564 CB VAL U 66 21.549 8.207 5.918 1.00 29.51 C ATOM 565 CG1 VAL U 66 23.025 8.549 6.105 1.00 29.35 C ATOM 566 CG2 VAL U 66 20.806 9.414 5.343 1.00 31.01 C ATOM 567 H VAL U 66 19.410 6.375 5.708 1.00 0.00 H ATOM 568 N TYR U 67 23.313 5.486 5.100 1.00 30.26 N ATOM 569 CA TYR U 67 24.263 4.579 5.754 1.00 31.75 C ATOM 570 C TYR U 67 25.497 5.323 6.236 1.00 29.95 C ATOM 571 O TYR U 67 25.999 6.252 5.585 1.00 28.47 O ATOM 572 CB TYR U 67 24.682 3.432 4.822 1.00 32.28 C ATOM 573 CG TYR U 67 23.630 2.380 4.596 1.00 33.31 C ATOM 574 CD1 TYR U 67 22.644 2.552 3.636 1.00 34.21 C ATOM 575 CD2 TYR U 67 23.618 1.201 5.346 1.00 36.09 C ATOM 576 CE1 TYR U 67 21.673 1.590 3.427 1.00 36.69 C ATOM 577 CE2 TYR U 67 22.649 0.236 5.139 1.00 37.00 C ATOM 578 CZ TYR U 67 21.682 0.435 4.173 1.00 37.23 C ATOM 579 OH TYR U 67 20.715 -0.520 3.956 1.00 44.63 O ATOM 580 HH TYR U 67 20.109 -0.216 3.234 1.00 0.00 H ATOM 581 H TYR U 67 23.557 5.895 4.176 1.00 0.00 H ATOM 582 N LEU U 68 25.977 4.923 7.407 1.00 30.35 N ATOM 583 CA LEU U 68 27.254 5.374 7.927 1.00 29.56 C ATOM 584 C LEU U 68 28.090 4.117 8.132 1.00 27.54 C ATOM 585 O LEU U 68 27.534 3.042 8.291 1.00 28.43 O ATOM 586 CB LEU U 68 27.078 6.105 9.264 1.00 31.06 C ATOM 587 CG LEU U 68 26.117 7.301 9.296 1.00 32.57 C ATOM 588 CD1 LEU U 68 26.078 7.936 10.679 1.00 33.21 C ATOM 589 CD2 LEU U 68 26.507 8.329 8.243 1.00 32.11 C ATOM 590 H LEU U 68 25.414 4.258 7.976 1.00 0.00 H ATOM 591 N GLY U 69 29.405 4.254 8.102 1.00 29.19 N ATOM 592 CA GLY U 69 30.314 3.102 8.285 1.00 30.15 C ATOM 593 C GLY U 69 30.301 2.126 7.127 1.00 32.66 C ATOM 594 O GLY U 69 30.528 0.929 7.296 1.00 32.23 O ATOM 595 H GLY U 69 29.811 5.198 7.945 1.00 0.00 H ATOM 596 N ARG U 70 30.027 2.641 5.936 1.00 30.34 N ATOM 597 CA ARG U 70 29.835 1.799 4.766 1.00 32.03 C ATOM 598 C ARG U 70 30.945 2.072 3.772 1.00 29.82 C ATOM 599 O ARG U 70 31.146 3.209 3.376 1.00 30.29 O ATOM 600 CB ARG U 70 28.468 2.087 4.150 1.00 34.25 C ATOM 601 CG ARG U 70 28.163 1.304 2.894 1.00 36.56 C ATOM 602 CD ARG U 70 26.711 0.889 2.865 1.00 37.16 C ATOM 603 NE ARG U 70 26.387 0.147 1.660 1.00 39.21 N ATOM 604 CZ ARG U 70 25.367 -0.696 1.541 1.00 41.85 C ATOM 605 NH1 ARG U 70 24.568 -0.949 2.572 1.00 46.28 N ATOM 606 NH2 ARG U 70 25.162 -1.321 0.391 1.00 44.03 N ATOM 607 HE ARG U 70 26.998 0.285 0.830 1.00 0.00 H ATOM 608 HH12 ARG U 70 23.773 -1.611 2.464 1.00 0.00 H ATOM 609 HH11 ARG U 70 24.737 -0.485 3.487 1.00 0.00 H ATOM 610 HH22 ARG U 70 24.365 -1.982 0.293 1.00 0.00 H ATOM 611 HH21 ARG U 70 25.798 -1.151 -0.414 1.00 0.00 H ATOM 612 H ARG U 70 29.947 3.673 5.836 1.00 0.00 H ATOM 613 N SER U 71 31.661 1.015 3.394 1.00 29.07 N ATOM 614 CA SER U 71 32.825 1.096 2.499 1.00 28.54 C ATOM 615 C SER U 71 32.505 0.673 1.069 1.00 26.48 C ATOM 616 O SER U 71 33.317 0.898 0.165 1.00 26.61 O ATOM 617 CB SER U 71 33.944 0.186 3.012 1.00 27.98 C ATOM 618 OG SER U 71 34.709 0.796 4.031 1.00 30.96 O ATOM 619 HG SER U 71 35.417 0.172 4.329 1.00 0.00 H ATOM 620 H SER U 71 31.381 0.079 3.752 1.00 0.00 H ATOM 621 N ARG U 72 31.367 0.020 0.881 1.00 27.24 N ATOM 622 CA ARG U 72 30.994 -0.543 -0.405 1.00 31.65 C ATOM 623 C ARG U 72 29.577 -0.141 -0.778 1.00 31.69 C ATOM 624 O ARG U 72 28.704 0.003 0.075 1.00 31.59 O ATOM 625 CB ARG U 72 31.169 -2.065 -0.414 1.00 32.29 C ATOM 626 CG ARG U 72 32.630 -2.488 -0.427 1.00 32.64 C ATOM 627 CD ARG U 72 32.834 -3.976 -0.651 1.00 34.77 C ATOM 628 NE ARG U 72 32.481 -4.486 -1.986 1.00 35.15 N ATOM 629 CZ ARG U 72 33.261 -4.442 -3.077 1.00 35.98 C ATOM 630 NH1 ARG U 72 34.455 -3.860 -3.058 1.00 34.72 N ATOM 631 NH2 ARG U 72 32.837 -4.992 -4.210 1.00 36.69 N ATOM 632 HE ARG U 72 31.542 -4.920 -2.093 1.00 0.00 H ATOM 633 HH12 ARG U 72 35.038 -3.841 -3.919 1.00 0.00 H ATOM 634 HH11 ARG U 72 34.807 -3.423 -2.182 1.00 0.00 H ATOM 635 HH22 ARG U 72 33.437 -4.961 -5.059 1.00 0.00 H ATOM 636 HH21 ARG U 72 31.906 -5.453 -4.248 1.00 0.00 H ATOM 637 H ARG U 72 30.717 -0.094 1.685 1.00 0.00 H ATOM 638 N LEU U 73 29.356 0.018 -2.078 1.00 29.97 N ATOM 639 CA LEU U 73 28.154 0.652 -2.567 1.00 31.55 C ATOM 640 C LEU U 73 26.898 -0.198 -2.475 1.00 31.87 C ATOM 641 O LEU U 73 25.848 0.298 -2.087 1.00 36.22 O ATOM 642 CB LEU U 73 28.356 1.079 -4.021 1.00 30.53 C ATOM 643 CG LEU U 73 27.284 2.036 -4.533 1.00 31.65 C ATOM 644 CD1 LEU U 73 27.243 3.308 -3.706 1.00 30.45 C ATOM 645 CD2 LEU U 73 27.566 2.357 -5.993 1.00 31.89 C ATOM 646 H LEU U 73 30.065 -0.322 -2.759 1.00 0.00 H ATOM 647 N ASN U 74 26.984 -1.458 -2.877 1.00 34.90 N ATOM 648 CA ASN U 74 25.797 -2.319 -2.914 1.00 40.09 C ATOM 649 C ASN U 74 25.988 -3.613 -2.134 1.00 40.10 C ATOM 650 O ASN U 74 25.289 -4.602 -2.364 1.00 41.64 O ATOM 651 CB ASN U 74 25.390 -2.595 -4.366 1.00 41.32 C ATOM 652 CG ASN U 74 25.074 -1.320 -5.129 1.00 44.10 C ATOM 653 OD1 ASN U 74 24.261 -0.499 -4.688 1.00 47.02 O ATOM 654 ND2 ASN U 74 25.717 -1.140 -6.274 1.00 44.49 N ATOM 655 HD22 ASN U 74 26.393 -1.856 -6.609 1.00 0.00 H ATOM 656 HD21 ASN U 74 25.545 -0.283 -6.838 1.00 0.00 H ATOM 657 H ASN U 74 27.905 -1.841 -3.170 1.00 0.00 H ATOM 658 N SER U 75 26.934 -3.581 -1.202 1.00 42.34 N ATOM 659 CA SER U 75 27.172 -4.677 -0.287 1.00 42.95 C ATOM 660 C SER U 75 27.411 -4.074 1.095 1.00 41.94 C ATOM 661 O SER U 75 27.973 -2.987 1.233 1.00 42.58 O ATOM 662 CB SER U 75 28.357 -5.534 -0.750 1.00 44.95 C ATOM 663 OG SER U 75 29.592 -5.021 -0.284 1.00 47.65 O ATOM 664 HG SER U 75 29.718 -4.102 -0.631 1.00 0.00 H ATOM 665 H SER U 75 27.529 -2.732 -1.126 1.00 0.00 H ATOM 666 N ASN U 76 26.959 -4.778 2.119 1.00 39.64 N ATOM 667 CA ASN U 76 27.071 -4.285 3.481 1.00 40.70 C ATOM 668 C ASN U 76 28.520 -4.349 3.973 1.00 39.47 C ATOM 669 O ASN U 76 29.311 -5.190 3.537 1.00 38.80 O ATOM 670 CB ASN U 76 26.140 -5.055 4.415 1.00 43.03 C ATOM 671 CG ASN U 76 24.696 -5.065 3.932 1.00 43.38 C ATOM 672 OD1 ASN U 76 24.111 -6.129 3.734 1.00 47.62 O ATOM 673 ND2 ASN U 76 24.122 -3.889 3.732 1.00 42.25 N ATOM 674 HD22 ASN U 76 24.654 -3.014 3.912 1.00 0.00 H ATOM 675 HD21 ASN U 76 23.139 -3.841 3.395 1.00 0.00 H ATOM 676 H ASN U 76 26.515 -5.702 1.946 1.00 0.00 H ATOM 677 N THR U 77 28.868 -3.418 4.848 1.00 34.51 N ATOM 678 CA THR U 77 30.167 -3.379 5.477 1.00 34.12 C ATOM 679 C THR U 77 29.912 -3.757 6.921 1.00 35.85 C ATOM 680 O THR U 77 28.950 -3.293 7.520 1.00 32.02 O ATOM 681 CB THR U 77 30.777 -1.963 5.402 1.00 35.86 C ATOM 682 OG1 THR U 77 31.097 -1.660 4.041 1.00 33.82 O ATOM 683 CG2 THR U 77 32.048 -1.843 6.249 1.00 34.26 C ATOM 684 HG1 THR U 77 31.489 -0.752 3.990 1.00 0.00 H ATOM 685 H THR U 77 28.175 -2.682 5.093 1.00 0.00 H ATOM 686 N GLN U 78 30.747 -4.626 7.469 1.00 34.66 N ATOM 687 CA GLN U 78 30.600 -4.996 8.861 1.00 35.35 C ATOM 688 C GLN U 78 30.675 -3.754 9.744 1.00 34.65 C ATOM 689 O GLN U 78 31.602 -2.952 9.624 1.00 33.63 O ATOM 690 CB GLN U 78 31.688 -5.985 9.255 1.00 35.43 C ATOM 691 CG GLN U 78 31.557 -6.477 10.680 1.00 35.60 C ATOM 692 CD GLN U 78 32.431 -7.678 10.922 1.00 34.90 C ATOM 693 OE1 GLN U 78 33.653 -7.572 10.916 1.00 34.19 O ATOM 694 NE2 GLN U 78 31.809 -8.834 11.120 1.00 36.68 N ATOM 695 HE22 GLN U 78 30.770 -8.873 11.116 1.00 0.00 H ATOM 696 HE21 GLN U 78 32.361 -9.701 11.279 1.00 0.00 H ATOM 697 H GLN U 78 31.510 -5.044 6.899 1.00 0.00 H ATOM 698 N GLY U 79 29.688 -3.609 10.630 1.00 36.25 N ATOM 699 CA GLY U 79 29.627 -2.499 11.574 1.00 37.47 C ATOM 700 C GLY U 79 28.774 -1.330 11.107 1.00 37.67 C ATOM 701 O GLY U 79 28.573 -0.376 11.847 1.00 40.20 O ATOM 702 H GLY U 79 28.928 -4.319 10.648 1.00 0.00 H ATOM 703 N GLU U 80 28.262 -1.397 9.886 1.00 37.30 N ATOM 704 CA GLU U 80 27.551 -0.252 9.309 1.00 37.57 C ATOM 705 C GLU U 80 26.248 0.034 10.043 1.00 38.21 C ATOM 706 O GLU U 80 25.694 -0.844 10.711 1.00 35.49 O ATOM 707 CB GLU U 80 27.259 -0.505 7.839 1.00 35.93 C ATOM 708 CG GLU U 80 26.194 -1.563 7.598 1.00 37.61 C ATOM 709 CD GLU U 80 25.944 -1.814 6.134 1.00 38.39 C ATOM 710 OE1 GLU U 80 26.837 -1.492 5.314 1.00 35.71 O ATOM 711 OE2 GLU U 80 24.862 -2.357 5.815 1.00 40.55 O ATOM 712 H GLU U 80 28.366 -2.271 9.332 1.00 0.00 H ATOM 713 N MET U 81 25.756 1.262 9.906 1.00 37.59 N ATOM 714 CA MET U 81 24.473 1.632 10.494 1.00 39.71 C ATOM 715 C MET U 81 23.567 2.237 9.436 1.00 39.79 C ATOM 716 O MET U 81 24.015 3.071 8.650 1.00 35.30 O ATOM 717 CB MET U 81 24.675 2.623 11.630 1.00 42.08 C ATOM 718 CG MET U 81 25.471 2.063 12.796 1.00 44.17 C ATOM 719 SD MET U 81 25.240 3.036 14.296 1.00 48.37 S ATOM 720 CE MET U 81 23.612 2.482 14.798 1.00 46.32 C ATOM 721 H MET U 81 26.296 1.971 9.370 1.00 0.00 H ATOM 722 N LYS U 82 22.308 1.796 9.438 1.00 39.49 N ATOM 723 CA LYS U 82 21.267 2.262 8.527 1.00 41.18 C ATOM 724 C LYS U 82 20.359 3.239 9.264 1.00 41.93 C ATOM 725 O LYS U 82 20.061 3.039 10.448 1.00 40.13 O ATOM 726 CB LYS U 82 20.458 1.070 8.008 1.00 43.00 C ATOM 727 CG LYS U 82 19.187 1.441 7.252 1.00 45.77 C ATOM 728 CD LYS U 82 18.691 0.286 6.397 1.00 47.94 C ATOM 729 CE LYS U 82 17.181 0.318 6.211 1.00 49.41 C ATOM 730 NZ LYS U 82 16.729 -0.740 5.262 1.00 51.28 N ATOM 731 HZ1 LYS U 82 17.180 -0.590 4.337 1.00 0.00 H ATOM 732 HZ2 LYS U 82 16.997 -1.674 5.632 1.00 0.00 H ATOM 733 HZ3 LYS U 82 15.695 -0.691 5.157 1.00 0.00 H ATOM 734 H LYS U 82 22.050 1.070 10.137 1.00 0.00 H ATOM 735 N PHE U 83 19.933 4.296 8.572 1.00 39.67 N ATOM 736 CA PHE U 83 19.060 5.312 9.168 1.00 40.52 C ATOM 737 C PHE U 83 17.977 5.775 8.214 1.00 43.27 C ATOM 738 O PHE U 83 18.187 5.849 6.996 1.00 41.61 O ATOM 739 CB PHE U 83 19.845 6.546 9.595 1.00 39.84 C ATOM 740 CG PHE U 83 20.972 6.259 10.527 1.00 39.38 C ATOM 741 CD1 PHE U 83 20.770 6.245 11.905 1.00 38.72 C ATOM 742 CD2 PHE U 83 22.242 6.015 10.034 1.00 36.98 C ATOM 743 CE1 PHE U 83 21.819 5.978 12.757 1.00 39.65 C ATOM 744 CE2 PHE U 83 23.289 5.746 10.883 1.00 37.11 C ATOM 745 CZ PHE U 83 23.080 5.733 12.247 1.00 40.33 C ATOM 746 H PHE U 83 20.229 4.403 7.581 1.00 0.00 H ATOM 747 N GLU U 84 16.824 6.089 8.797 1.00 42.39 N ATOM 748 CA GLU U 84 15.756 6.786 8.106 1.00 42.93 C ATOM 749 C GLU U 84 15.992 8.277 8.249 1.00 41.66 C ATOM 750 O GLU U 84 16.714 8.726 9.145 1.00 39.21 O ATOM 751 CB GLU U 84 14.397 6.416 8.706 1.00 44.06 C ATOM 752 CG GLU U 84 14.090 4.926 8.676 1.00 45.41 C ATOM 753 CD GLU U 84 14.021 4.366 7.266 1.00 47.02 C ATOM 754 OE1 GLU U 84 13.515 5.066 6.361 1.00 49.96 O ATOM 755 OE2 GLU U 84 14.475 3.224 7.052 1.00 47.31 O ATOM 756 H GLU U 84 16.682 5.823 9.792 1.00 0.00 H ATOM 757 N VAL U 85 15.383 9.046 7.354 1.00 43.23 N ATOM 758 CA VAL U 85 15.550 10.492 7.337 1.00 43.12 C ATOM 759 C VAL U 85 14.362 11.126 8.058 1.00 45.30 C ATOM 760 O VAL U 85 13.258 11.207 7.513 1.00 45.79 O ATOM 761 CB VAL U 85 15.688 11.016 5.890 1.00 42.82 C ATOM 762 CG1 VAL U 85 15.732 12.537 5.854 1.00 42.61 C ATOM 763 CG2 VAL U 85 16.947 10.447 5.248 1.00 42.62 C ATOM 764 H VAL U 85 14.768 8.601 6.643 1.00 0.00 H ATOM 765 N GLU U 86 14.602 11.568 9.287 1.00 45.91 N ATOM 766 CA GLU U 86 13.559 12.159 10.119 1.00 49.46 C ATOM 767 C GLU U 86 13.153 13.538 9.599 1.00 49.20 C ATOM 768 O GLU U 86 11.982 13.907 9.667 1.00 50.24 O ATOM 769 CB GLU U 86 14.033 12.259 11.569 1.00 51.39 C ATOM 770 CG GLU U 86 12.928 12.538 12.573 1.00 54.23 C ATOM 771 CD GLU U 86 13.460 12.748 13.976 1.00 55.55 C ATOM 772 OE1 GLU U 86 14.582 12.283 14.271 1.00 58.15 O ATOM 773 OE2 GLU U 86 12.755 13.380 14.789 1.00 60.09 O ATOM 774 H GLU U 86 15.566 11.490 9.670 1.00 0.00 H ATOM 775 N ASN U 87 14.124 14.296 9.092 1.00 47.16 N ATOM 776 CA ASN U 87 13.858 15.610 8.512 1.00 44.87 C ATOM 777 C ASN U 87 14.822 15.943 7.381 1.00 43.09 C ATOM 778 O ASN U 87 16.036 15.785 7.519 1.00 41.04 O ATOM 779 CB ASN U 87 13.937 16.691 9.587 1.00 45.72 C ATOM 780 CG ASN U 87 12.802 16.597 10.591 1.00 48.41 C ATOM 781 OD1 ASN U 87 13.031 16.439 11.783 1.00 51.73 O ATOM 782 ND2 ASN U 87 11.570 16.669 10.102 1.00 50.44 N ATOM 783 HD22 ASN U 87 11.423 16.804 9.081 1.00 0.00 H ATOM 784 HD21 ASN U 87 10.752 16.590 10.740 1.00 0.00 H ATOM 785 H ASN U 87 15.102 13.941 9.110 1.00 0.00 H ATOM 786 N LEU U 88 14.263 16.412 6.268 1.00 39.81 N ATOM 787 CA LEU U 88 15.037 16.804 5.098 1.00 36.50 C ATOM 788 C LEU U 88 14.930 18.317 4.934 1.00 35.94 C ATOM 789 O LEU U 88 13.849 18.845 4.643 1.00 36.18 O ATOM 790 CB LEU U 88 14.497 16.084 3.870 1.00 35.78 C ATOM 791 CG LEU U 88 15.125 16.346 2.498 1.00 35.30 C ATOM 792 CD1 LEU U 88 16.601 15.969 2.463 1.00 33.23 C ATOM 793 CD2 LEU U 88 14.366 15.536 1.475 1.00 36.33 C ATOM 794 H LEU U 88 13.228 16.503 6.232 1.00 0.00 H ATOM 795 N ILE U 89 16.049 19.001 5.140 1.00 32.25 N ATOM 796 CA ILE U 89 16.109 20.455 5.077 1.00 33.56 C ATOM 797 C ILE U 89 16.878 20.931 3.854 1.00 31.04 C ATOM 798 O ILE U 89 18.078 20.749 3.767 1.00 30.82 O ATOM 799 CB ILE U 89 16.747 21.005 6.358 1.00 34.44 C ATOM 800 CG1 ILE U 89 15.799 20.753 7.526 1.00 37.02 C ATOM 801 CG2 ILE U 89 17.037 22.498 6.238 1.00 34.94 C ATOM 802 CD1 ILE U 89 16.487 20.421 8.825 1.00 37.75 C ATOM 803 H ILE U 89 16.920 18.476 5.356 1.00 0.00 H ATOM 804 N LEU U 90 16.166 21.543 2.910 1.00 31.36 N ATOM 805 CA LEU U 90 16.756 22.027 1.668 1.00 31.44 C ATOM 806 C LEU U 90 16.861 23.547 1.719 1.00 33.40 C ATOM 807 O LEU U 90 15.952 24.209 2.221 1.00 37.39 O ATOM 808 CB LEU U 90 15.887 21.603 0.481 1.00 31.34 C ATOM 809 CG LEU U 90 15.546 20.117 0.358 1.00 32.19 C ATOM 810 CD1 LEU U 90 14.868 19.867 -0.986 1.00 32.75 C ATOM 811 CD2 LEU U 90 16.773 19.230 0.510 1.00 31.83 C ATOM 812 H LEU U 90 15.147 21.681 3.065 1.00 0.00 H ATOM 813 N HIS U 91 17.949 24.099 1.191 1.00 34.14 N ATOM 814 CA HIS U 91 18.192 25.539 1.268 1.00 34.92 C ATOM 815 C HIS U 91 17.185 26.336 0.440 1.00 35.61 C ATOM 816 O HIS U 91 17.009 26.080 -0.755 1.00 35.68 O ATOM 817 CB HIS U 91 19.612 25.890 0.825 1.00 33.93 C ATOM 818 CG HIS U 91 20.082 27.227 1.316 1.00 35.19 C ATOM 819 ND1 HIS U 91 19.604 28.415 0.809 1.00 35.53 N ATOM 820 CD2 HIS U 91 20.989 27.563 2.263 1.00 33.80 C ATOM 821 CE1 HIS U 91 20.192 29.427 1.422 1.00 35.64 C ATOM 822 NE2 HIS U 91 21.044 28.937 2.303 1.00 35.56 N ATOM 823 H HIS U 91 18.644 23.492 0.712 1.00 0.00 H ATOM 824 N LYS U 92 16.563 27.323 1.081 1.00 38.86 N ATOM 825 CA LYS U 92 15.449 28.080 0.497 1.00 41.02 C ATOM 826 C LYS U 92 15.801 28.870 -0.765 1.00 39.21 C ATOM 827 O LYS U 92 14.931 29.104 -1.601 1.00 40.19 O ATOM 828 CB LYS U 92 14.829 29.018 1.552 1.00 44.24 C ATOM 829 CG LYS U 92 13.698 28.368 2.339 1.00 47.94 C ATOM 830 CD LYS U 92 12.369 28.424 1.592 1.00 50.73 C ATOM 831 CE LYS U 92 11.650 27.081 1.586 1.00 52.26 C ATOM 832 NZ LYS U 92 11.302 26.604 2.952 1.00 55.50 N ATOM 833 HZ1 LYS U 92 12.172 26.496 3.512 1.00 0.00 H ATOM 834 HZ2 LYS U 92 10.677 27.297 3.411 1.00 0.00 H ATOM 835 HZ3 LYS U 92 10.816 25.687 2.884 1.00 0.00 H ATOM 836 H LYS U 92 16.881 27.569 2.040 1.00 0.00 H ATOM 837 N ASP U 93 17.062 29.271 -0.889 1.00 36.23 N ATOM 838 CA ASP U 93 17.568 30.027 -2.043 1.00 36.31 C ATOM 839 C ASP U 93 18.302 29.172 -3.082 1.00 32.58 C ATOM 840 O ASP U 93 19.058 29.691 -3.909 1.00 32.38 O ATOM 841 CB ASP U 93 18.481 31.141 -1.539 1.00 36.55 C ATOM 842 CG ASP U 93 17.787 32.027 -0.520 1.00 39.10 C ATOM 843 OD1 ASP U 93 16.578 32.275 -0.695 1.00 37.84 O ATOM 844 OD2 ASP U 93 18.440 32.450 0.456 1.00 43.97 O ATOM 845 H ASP U 93 17.729 29.036 -0.126 1.00 0.00 H ATOM 846 N TYR U 94 18.070 27.864 -3.038 1.00 32.59 N ATOM 847 CA TYR U 94 18.602 26.954 -4.031 1.00 30.63 C ATOM 848 C TYR U 94 18.127 27.372 -5.412 1.00 32.37 C ATOM 849 O TYR U 94 16.952 27.705 -5.591 1.00 31.50 O ATOM 850 CB TYR U 94 18.140 25.526 -3.756 1.00 30.94 C ATOM 851 CG TYR U 94 18.410 24.557 -4.892 1.00 30.08 C ATOM 852 CD1 TYR U 94 19.678 24.002 -5.068 1.00 30.96 C ATOM 853 CD2 TYR U 94 17.398 24.172 -5.771 1.00 29.62 C ATOM 854 CE1 TYR U 94 19.937 23.114 -6.103 1.00 30.89 C ATOM 855 CE2 TYR U 94 17.646 23.267 -6.803 1.00 31.81 C ATOM 856 CZ TYR U 94 18.921 22.742 -6.960 1.00 32.07 C ATOM 857 OH TYR U 94 19.200 21.843 -7.967 1.00 31.70 O ATOM 858 HH TYR U 94 20.154 21.583 -7.920 1.00 0.00 H ATOM 859 H TYR U 94 17.488 27.482 -2.266 1.00 0.00 H ATOM 860 N SER U 95 19.030 27.322 -6.372 1.00 32.63 N ATOM 861 CA SER U 95 18.662 27.433 -7.755 1.00 35.89 C ATOM 862 C SER U 95 19.574 26.645 -8.649 1.00 39.24 C ATOM 863 O SER U 95 20.669 26.326 -8.294 1.00 37.57 O ATOM 864 CB SER U 95 18.655 28.873 -8.211 1.00 36.02 C ATOM 865 OG SER U 95 19.938 29.386 -8.299 1.00 35.89 O ATOM 866 HG SER U 95 19.895 30.328 -8.600 1.00 0.00 H ATOM 867 H SER U 95 20.032 27.199 -6.121 1.00 0.00 H ATOM 868 N ALA U 96 19.064 26.347 -9.820 1.00 41.16 N ATOM 869 CA ALA U 96 19.817 25.715 -10.865 1.00 44.19 C ATOM 870 C ALA U 96 19.719 26.474 -12.199 1.00 47.32 C ATOM 871 O ALA U 96 18.662 26.831 -12.592 1.00 48.87 O ATOM 872 CB ALA U 96 19.354 24.284 -11.015 1.00 43.42 C ATOM 873 H ALA U 96 18.066 26.580 -10.000 1.00 0.00 H ATOM 874 N ASP U 97 20.858 26.716 -12.835 1.00 50.99 N ATOM 875 CA ASP U 97 21.030 27.428 -14.113 1.00 53.73 C ATOM 876 C ASP U 97 20.931 26.458 -15.269 1.00 54.15 C ATOM 877 O ASP U 97 20.498 25.350 -15.106 1.00 54.25 O ATOM 878 CB ASP U 97 22.439 28.035 -14.232 1.00 54.57 C ATOM 879 CG ASP U 97 22.811 28.887 -13.106 1.00 57.15 C ATOM 880 OD1 ASP U 97 22.355 28.642 -11.988 1.00 59.74 O ATOM 881 OD2 ASP U 97 23.596 29.802 -13.336 1.00 55.98 O ATOM 882 H ASP U 97 21.725 26.364 -12.381 1.00 0.00 H ATOM 883 N THR U 97A 21.336 26.921 -16.453 1.00 63.55 N ATOM 884 CA THR U 97A 21.707 26.042 -17.551 1.00 62.72 C ATOM 885 C THR U 97A 22.959 25.293 -17.154 1.00 61.39 C ATOM 886 O THR U 97A 23.166 24.216 -17.638 1.00 64.96 O ATOM 887 CB THR U 97A 21.909 26.722 -18.931 1.00 61.61 C ATOM 888 OG1 THR U 97A 22.711 27.886 -18.800 1.00 62.38 O ATOM 889 CG2 THR U 97A 20.594 27.078 -19.586 1.00 61.17 C ATOM 890 HG1 THR U 97A 22.829 28.306 -19.689 1.00 0.00 H ATOM 891 H THR U 97A 21.388 27.950 -16.596 1.00 0.00 H ATOM 892 N LEU U 97B 23.811 25.904 -16.328 1.00 50.50 N ATOM 893 CA LEU U 97B 25.115 25.334 -15.960 1.00 47.62 C ATOM 894 C LEU U 97B 25.327 24.689 -14.588 1.00 47.67 C ATOM 895 O LEU U 97B 25.806 23.576 -14.485 1.00 46.96 O ATOM 896 CB LEU U 97B 26.169 26.414 -16.083 1.00 49.05 C ATOM 897 CG LEU U 97B 26.811 26.659 -17.443 1.00 50.52 C ATOM 898 CD1 LEU U 97B 25.935 26.160 -18.571 1.00 52.30 C ATOM 899 CD2 LEU U 97B 27.220 28.096 -17.631 1.00 50.62 C ATOM 900 H LEU U 97B 23.540 26.824 -15.927 1.00 0.00 H ATOM 901 N ALA U 98 24.977 25.412 -13.551 1.00 43.06 N ATOM 902 CA ALA U 98 25.396 25.092 -12.227 1.00 42.02 C ATOM 903 C ALA U 98 24.275 25.262 -11.210 1.00 40.68 C ATOM 904 O ALA U 98 23.184 25.676 -11.554 1.00 41.00 O ATOM 905 CB ALA U 98 26.541 25.987 -11.863 1.00 41.75 C ATOM 906 H ALA U 98 24.374 26.246 -13.700 1.00 0.00 H ATOM 907 N TYR U 99 24.573 24.933 -9.963 1.00 36.73 N ATOM 908 CA TYR U 99 23.662 25.076 -8.868 1.00 33.87 C ATOM 909 C TYR U 99 24.121 26.205 -7.982 1.00 33.57 C ATOM 910 O TYR U 99 25.266 26.450 -7.923 1.00 31.46 O ATOM 911 CB TYR U 99 23.678 23.801 -8.046 1.00 35.07 C ATOM 912 CG TYR U 99 23.316 22.549 -8.800 1.00 33.53 C ATOM 913 CD1 TYR U 99 22.001 22.258 -9.070 1.00 33.54 C ATOM 914 CD2 TYR U 99 24.270 21.628 -9.166 1.00 31.84 C ATOM 915 CE1 TYR U 99 21.647 21.115 -9.731 1.00 31.90 C ATOM 916 CE2 TYR U 99 23.938 20.479 -9.833 1.00 31.92 C ATOM 917 CZ TYR U 99 22.616 20.221 -10.121 1.00 34.05 C ATOM 918 OH TYR U 99 22.237 19.091 -10.776 1.00 34.06 O ATOM 919 HH TYR U 99 21.253 19.090 -10.887 1.00 0.00 H ATOM 920 H TYR U 99 25.520 24.550 -9.768 1.00 0.00 H ATOM 921 N HIS U 100 23.198 26.870 -7.303 1.00 33.76 N ATOM 922 CA HIS U 100 23.493 27.860 -6.265 1.00 34.50 C ATOM 923 C HIS U 100 22.863 27.457 -4.941 1.00 32.59 C ATOM 924 O HIS U 100 21.823 26.798 -4.903 1.00 30.76 O ATOM 925 CB HIS U 100 22.983 29.251 -6.655 1.00 35.27 C ATOM 926 CG HIS U 100 23.797 29.904 -7.717 1.00 37.20 C ATOM 927 ND1 HIS U 100 23.702 29.545 -9.041 1.00 37.98 N ATOM 928 CD2 HIS U 100 24.744 30.869 -7.653 1.00 40.37 C ATOM 929 CE1 HIS U 100 24.549 30.265 -9.752 1.00 38.95 C ATOM 930 NE2 HIS U 100 25.194 31.076 -8.935 1.00 40.39 N ATOM 931 H HIS U 100 22.200 26.677 -7.521 1.00 0.00 H ATOM 932 N ASN U 101 23.495 27.901 -3.860 1.00 32.75 N ATOM 933 CA ASN U 101 23.106 27.527 -2.500 1.00 32.77 C ATOM 934 C ASN U 101 22.832 26.040 -2.400 1.00 29.58 C ATOM 935 O ASN U 101 21.796 25.611 -1.904 1.00 28.34 O ATOM 936 CB ASN U 101 21.911 28.346 -2.055 1.00 35.34 C ATOM 937 CG ASN U 101 22.216 29.823 -2.039 1.00 37.86 C ATOM 938 OD1 ASN U 101 23.184 30.255 -1.413 1.00 37.30 O ATOM 939 ND2 ASN U 101 21.412 30.603 -2.742 1.00 39.97 N ATOM 940 HD22 ASN U 101 20.606 30.192 -3.255 1.00 0.00 H ATOM 941 HD21 ASN U 101 21.586 31.628 -2.782 1.00 0.00 H ATOM 942 H ASN U 101 24.303 28.544 -3.986 1.00 0.00 H ATOM 943 N ASP U 102 23.793 25.255 -2.871 1.00 29.45 N ATOM 944 CA ASP U 102 23.595 23.813 -3.034 1.00 27.84 C ATOM 945 C ASP U 102 24.009 23.093 -1.763 1.00 31.18 C ATOM 946 O ASP U 102 25.083 22.476 -1.703 1.00 32.78 O ATOM 947 CB ASP U 102 24.395 23.317 -4.240 1.00 27.74 C ATOM 948 CG ASP U 102 23.983 21.936 -4.704 1.00 25.99 C ATOM 949 OD1 ASP U 102 22.923 21.435 -4.298 1.00 25.87 O ATOM 950 OD2 ASP U 102 24.735 21.348 -5.504 1.00 27.68 O ATOM 951 H ASP U 102 24.709 25.674 -3.131 1.00 0.00 H ATOM 952 N ILE U 103 23.143 23.179 -0.759 1.00 29.17 N ATOM 953 CA ILE U 103 23.425 22.665 0.587 1.00 28.55 C ATOM 954 C ILE U 103 22.145 22.131 1.239 1.00 28.49 C ATOM 955 O ILE U 103 21.065 22.718 1.091 1.00 29.61 O ATOM 956 CB ILE U 103 24.137 23.757 1.429 1.00 28.02 C ATOM 957 CG1 ILE U 103 24.684 23.195 2.745 1.00 28.09 C ATOM 958 CG2 ILE U 103 23.219 24.946 1.713 1.00 28.98 C ATOM 959 CD1 ILE U 103 25.630 24.156 3.426 1.00 28.48 C ATOM 960 H ILE U 103 22.223 23.631 -0.935 1.00 0.00 H ATOM 961 N ALA U 104 22.260 20.997 1.928 1.00 28.00 N ATOM 962 CA ALA U 104 21.118 20.309 2.536 1.00 28.05 C ATOM 963 C ALA U 104 21.510 19.627 3.839 1.00 28.52 C ATOM 964 O ALA U 104 22.639 19.173 3.991 1.00 27.75 O ATOM 965 CB ALA U 104 20.556 19.274 1.585 1.00 28.80 C ATOM 966 H ALA U 104 23.206 20.580 2.040 1.00 0.00 H ATOM 967 N LEU U 105 20.551 19.521 4.743 1.00 29.22 N ATOM 968 CA LEU U 105 20.745 18.846 6.015 1.00 31.61 C ATOM 969 C LEU U 105 19.738 17.705 6.145 1.00 32.12 C ATOM 970 O LEU U 105 18.558 17.836 5.774 1.00 31.71 O ATOM 971 CB LEU U 105 20.615 19.839 7.169 1.00 32.07 C ATOM 972 CG LEU U 105 21.792 20.784 7.392 1.00 33.64 C ATOM 973 CD1 LEU U 105 21.375 21.976 8.237 1.00 34.12 C ATOM 974 CD2 LEU U 105 22.976 20.059 8.018 1.00 32.78 C ATOM 975 H LEU U 105 19.621 19.937 4.535 1.00 0.00 H ATOM 976 N LEU U 106 20.220 16.572 6.644 1.00 33.68 N ATOM 977 CA LEU U 106 19.386 15.412 6.905 1.00 34.00 C ATOM 978 C LEU U 106 19.516 15.064 8.390 1.00 34.74 C ATOM 979 O LEU U 106 20.626 14.836 8.872 1.00 32.40 O ATOM 980 CB LEU U 106 19.837 14.219 6.063 1.00 37.27 C ATOM 981 CG LEU U 106 19.585 14.227 4.551 1.00 36.31 C ATOM 982 CD1 LEU U 106 20.482 15.222 3.829 1.00 37.94 C ATOM 983 CD2 LEU U 106 19.788 12.830 3.980 1.00 38.24 C ATOM 984 H LEU U 106 21.236 16.513 6.856 1.00 0.00 H ATOM 985 N LYS U 107 18.393 15.059 9.107 1.00 34.55 N ATOM 986 CA LYS U 107 18.362 14.534 10.479 1.00 37.77 C ATOM 987 C LYS U 107 18.026 13.058 10.445 1.00 37.10 C ATOM 988 O LYS U 107 16.942 12.661 10.014 1.00 41.91 O ATOM 989 CB LYS U 107 17.362 15.270 11.370 1.00 38.88 C ATOM 990 CG LYS U 107 17.258 14.642 12.754 1.00 42.11 C ATOM 991 CD LYS U 107 16.827 15.629 13.823 1.00 43.44 C ATOM 992 CE LYS U 107 15.422 16.131 13.570 1.00 47.61 C ATOM 993 NZ LYS U 107 15.390 17.417 12.815 1.00 50.56 N ATOM 994 HZ1 LYS U 107 15.895 18.148 13.356 1.00 0.00 H ATOM 995 HZ2 LYS U 107 15.851 17.287 11.892 1.00 0.00 H ATOM 996 HZ3 LYS U 107 14.402 17.710 12.673 1.00 0.00 H ATOM 997 H LYS U 107 17.519 15.435 8.686 1.00 0.00 H ATOM 998 N ILE U 108 18.943 12.235 10.911 1.00 36.47 N ATOM 999 CA ILE U 108 18.862 10.805 10.803 1.00 37.22 C ATOM 1000 C ILE U 108 18.402 10.177 12.114 1.00 39.64 C ATOM 1001 O ILE U 108 18.723 10.674 13.139 1.00 41.73 O ATOM 1002 CB ILE U 108 20.240 10.244 10.442 1.00 36.15 C ATOM 1003 CG1 ILE U 108 21.303 10.802 11.375 1.00 35.75 C ATOM 1004 CG2 ILE U 108 20.564 10.612 9.021 1.00 36.59 C ATOM 1005 CD1 ILE U 108 22.669 10.204 11.228 1.00 36.57 C ATOM 1006 H ILE U 108 19.774 12.644 11.384 1.00 0.00 H ATOM 1007 N ARG U 109 17.590 9.139 12.049 1.00 43.55 N ATOM 1008 CA ARG U 109 17.232 8.339 13.214 1.00 46.63 C ATOM 1009 C ARG U 109 17.007 6.917 12.779 1.00 45.79 C ATOM 1010 O ARG U 109 16.363 6.711 11.801 1.00 42.96 O ATOM 1011 CB ARG U 109 15.945 8.915 13.814 1.00 50.73 C ATOM 1012 CG ARG U 109 15.619 8.620 15.272 1.00 54.34 C ATOM 1013 CD ARG U 109 14.164 8.977 15.584 1.00 55.84 C ATOM 1014 NE ARG U 109 13.305 7.926 15.063 1.00 60.24 N ATOM 1015 CZ ARG U 109 12.322 7.314 15.709 1.00 60.55 C ATOM 1016 NH1 ARG U 109 11.655 6.338 15.118 1.00 60.76 N ATOM 1017 NH2 ARG U 109 12.004 7.676 16.932 1.00 61.78 N ATOM 1018 HE ARG U 109 13.479 7.623 14.083 1.00 0.00 H ATOM 1019 HH12 ARG U 109 10.883 5.856 15.622 1.00 0.00 H ATOM 1020 HH11 ARG U 109 11.902 6.052 14.149 1.00 0.00 H ATOM 1021 HH22 ARG U 109 11.232 7.192 17.433 1.00 0.00 H ATOM 1022 HH21 ARG U 109 12.524 8.446 17.398 1.00 0.00 H ATOM 1023 H ARG U 109 17.187 8.880 11.126 1.00 0.00 H ATOM 1024 N SER U 110 17.467 5.939 13.549 1.00 46.29 N ATOM 1025 CA SER U 110 17.289 4.529 13.219 1.00 47.50 C ATOM 1026 C SER U 110 15.891 4.113 13.489 1.00 49.22 C ATOM 1027 O SER U 110 15.193 4.833 14.122 1.00 51.17 O ATOM 1028 CB SER U 110 18.191 3.654 14.055 1.00 48.64 C ATOM 1029 OG SER U 110 17.971 3.899 15.409 1.00 47.39 O ATOM 1030 HG SER U 110 18.164 4.850 15.607 1.00 0.00 H ATOM 1031 H SER U 110 17.974 6.187 14.422 1.00 0.00 H ATOM 1032 N LYS U 110A 15.507 2.928 13.037 1.00 62.20 N ATOM 1033 CA LYS U 110A 14.184 2.403 13.336 1.00 63.54 C ATOM 1034 C LYS U 110A 14.046 2.279 14.855 1.00 62.72 C ATOM 1035 O LYS U 110A 12.948 2.266 15.361 1.00 63.03 O ATOM 1036 CB LYS U 110A 13.900 1.068 12.670 1.00 64.56 C ATOM 1037 CG LYS U 110A 12.685 0.346 13.261 1.00 64.84 C ATOM 1038 CD LYS U 110A 12.867 -1.157 13.304 1.00 65.70 C ATOM 1039 CE LYS U 110A 12.671 -1.756 14.676 1.00 66.39 C ATOM 1040 NZ LYS U 110A 11.723 -2.896 14.614 1.00 67.05 N ATOM 1041 HZ1 LYS U 110A 10.805 -2.563 14.256 1.00 0.00 H ATOM 1042 HZ2 LYS U 110A 12.101 -3.626 13.977 1.00 0.00 H ATOM 1043 HZ3 LYS U 110A 11.600 -3.295 15.566 1.00 0.00 H ATOM 1044 H LYS U 110A 16.162 2.364 12.459 1.00 0.00 H ATOM 1045 N GLU U 110B 15.174 2.184 15.553 1.00 70.63 N ATOM 1046 CA GLU U 110B 15.218 2.139 17.010 1.00 69.88 C ATOM 1047 C GLU U 110B 15.101 3.520 17.664 1.00 70.88 C ATOM 1048 O GLU U 110B 15.157 3.620 18.882 1.00 67.99 O ATOM 1049 CB GLU U 110B 16.520 1.503 17.524 1.00 70.31 C ATOM 1050 CG GLU U 110B 16.950 0.176 16.903 1.00 70.59 C ATOM 1051 CD GLU U 110B 17.583 0.311 15.518 1.00 71.51 C ATOM 1052 OE1 GLU U 110B 18.641 0.957 15.394 1.00 70.40 O ATOM 1053 OE2 GLU U 110B 17.032 -0.246 14.565 1.00 69.70 O ATOM 1054 H GLU U 110B 16.073 2.139 15.032 1.00 0.00 H ATOM 1055 N GLY U 110C 15.020 4.593 16.885 1.00 53.62 N ATOM 1056 CA GLY U 110C 15.014 5.923 17.469 1.00 55.68 C ATOM 1057 C GLY U 110C 16.338 6.533 17.922 1.00 54.36 C ATOM 1058 O GLY U 110C 16.389 7.532 18.621 1.00 51.75 O ATOM 1059 H GLY U 110C 14.961 4.480 15.853 1.00 0.00 H ATOM 1060 N ARG U 110D 17.427 5.962 17.452 1.00 59.63 N ATOM 1061 CA ARG U 110D 18.728 6.463 17.795 1.00 58.04 C ATOM 1062 C ARG U 110D 19.510 7.125 16.627 1.00 56.64 C ATOM 1063 O ARG U 110D 19.335 6.780 15.478 1.00 58.66 O ATOM 1064 CB ARG U 110D 19.500 5.350 18.495 1.00 60.98 C ATOM 1065 CG ARG U 110D 18.754 4.828 19.732 1.00 61.72 C ATOM 1066 CD ARG U 110D 19.568 3.914 20.647 1.00 63.98 C ATOM 1067 NE ARG U 110D 18.990 3.886 21.995 1.00 66.00 N ATOM 1068 CZ ARG U 110D 19.049 2.870 22.843 1.00 68.59 C ATOM 1069 NH1 ARG U 110D 19.681 1.750 22.537 1.00 68.42 N ATOM 1070 NH2 ARG U 110D 18.475 2.991 24.029 1.00 68.73 N ATOM 1071 HE ARG U 110D 18.489 4.740 22.313 1.00 0.00 H ATOM 1072 HH12 ARG U 110D 19.713 0.967 23.221 1.00 0.00 H ATOM 1073 HH11 ARG U 110D 20.147 1.652 21.612 1.00 0.00 H ATOM 1074 HH22 ARG U 110D 18.512 2.203 24.707 1.00 0.00 H ATOM 1075 HH21 ARG U 110D 17.987 3.874 24.283 1.00 0.00 H ATOM 1076 H ARG U 110D 17.344 5.137 16.824 1.00 0.00 H ATOM 1077 N CYS U 111 20.301 8.127 16.973 1.00 53.61 N ATOM 1078 CA CYS U 111 21.179 8.817 16.079 1.00 52.26 C ATOM 1079 C CYS U 111 22.377 7.844 15.877 1.00 51.38 C ATOM 1080 O CYS U 111 22.282 6.693 16.268 1.00 51.72 O ATOM 1081 CB CYS U 111 21.545 10.215 16.660 1.00 50.86 C ATOM 1082 SG CYS U 111 20.338 11.626 16.622 1.00 52.67 S ATOM 1083 H CYS U 111 20.283 8.435 17.966 1.00 0.00 H ATOM 1084 N ALA U 112 23.453 8.288 15.229 1.00 49.71 N ATOM 1085 CA ALA U 112 24.658 7.506 14.955 1.00 48.44 C ATOM 1086 C ALA U 112 25.437 7.243 16.235 1.00 45.55 C ATOM 1087 O ALA U 112 25.595 8.136 17.065 1.00 43.02 O ATOM 1088 CB ALA U 112 25.545 8.212 13.945 1.00 47.84 C ATOM 1089 H ALA U 112 23.435 9.271 14.890 1.00 0.00 H ATOM 1090 N GLN U 113 25.908 6.009 16.378 1.00 46.28 N ATOM 1091 CA GLN U 113 26.808 5.634 17.460 1.00 46.55 C ATOM 1092 C GLN U 113 28.218 5.600 16.888 1.00 44.58 C ATOM 1093 O GLN U 113 28.509 4.767 16.033 1.00 46.86 O ATOM 1094 CB GLN U 113 26.420 4.276 18.040 1.00 48.98 C ATOM 1095 CG GLN U 113 24.978 4.220 18.532 1.00 52.11 C ATOM 1096 CD GLN U 113 24.707 3.145 19.582 1.00 55.92 C ATOM 1097 OE1 GLN U 113 23.570 2.987 20.028 1.00 60.72 O ATOM 1098 NE2 GLN U 113 25.742 2.415 19.991 1.00 58.20 N ATOM 1099 HE22 GLN U 113 26.687 2.581 19.588 1.00 0.00 H ATOM 1100 HE21 GLN U 113 25.606 1.679 20.713 1.00 0.00 H ATOM 1101 H GLN U 113 25.623 5.282 15.691 1.00 0.00 H ATOM 1102 N PRO U 114 29.085 6.532 17.322 1.00 42.05 N ATOM 1103 CA PRO U 114 30.452 6.572 16.811 1.00 42.28 C ATOM 1104 C PRO U 114 31.252 5.295 17.074 1.00 43.17 C ATOM 1105 O PRO U 114 31.060 4.629 18.099 1.00 44.25 O ATOM 1106 CB PRO U 114 31.081 7.761 17.546 1.00 42.09 C ATOM 1107 CG PRO U 114 29.935 8.620 17.944 1.00 42.65 C ATOM 1108 CD PRO U 114 28.781 7.693 18.180 1.00 42.30 C ATOM 1109 N SER U 115 32.135 4.969 16.135 1.00 42.48 N ATOM 1110 CA SER U 115 32.976 3.778 16.205 1.00 39.53 C ATOM 1111 C SER U 115 34.256 4.027 15.408 1.00 39.49 C ATOM 1112 O SER U 115 34.537 5.156 15.006 1.00 37.26 O ATOM 1113 CB SER U 115 32.228 2.570 15.639 1.00 40.43 C ATOM 1114 OG SER U 115 32.103 2.634 14.221 1.00 41.54 O ATOM 1115 HG SER U 115 31.615 1.836 13.898 1.00 0.00 H ATOM 1116 H SER U 115 32.231 5.594 15.309 1.00 0.00 H ATOM 1117 N ARG U 116 35.025 2.968 15.172 1.00 38.01 N ATOM 1118 CA ARG U 116 36.198 3.070 14.327 1.00 38.08 C ATOM 1119 C ARG U 116 35.780 3.425 12.883 1.00 37.21 C ATOM 1120 O ARG U 116 36.536 4.055 12.160 1.00 38.36 O ATOM 1121 CB ARG U 116 36.989 1.763 14.363 1.00 39.39 C ATOM 1122 CG ARG U 116 38.457 1.917 14.020 1.00 40.25 C ATOM 1123 CD ARG U 116 39.237 0.696 14.465 1.00 40.64 C ATOM 1124 NE ARG U 116 39.023 -0.419 13.559 1.00 43.83 N ATOM 1125 CZ ARG U 116 39.466 -1.655 13.756 1.00 43.98 C ATOM 1126 NH1 ARG U 116 40.144 -1.972 14.854 1.00 44.29 N ATOM 1127 NH2 ARG U 116 39.217 -2.584 12.842 1.00 46.91 N ATOM 1128 HE ARG U 116 38.482 -0.235 12.690 1.00 0.00 H ATOM 1129 HH12 ARG U 116 40.484 -2.945 14.993 1.00 0.00 H ATOM 1130 HH11 ARG U 116 40.335 -1.247 15.575 1.00 0.00 H ATOM 1131 HH22 ARG U 116 39.558 -3.556 12.983 1.00 0.00 H ATOM 1132 HH21 ARG U 116 38.681 -2.340 11.985 1.00 0.00 H ATOM 1133 H ARG U 116 34.781 2.052 15.600 1.00 0.00 H ATOM 1134 N THR U 117 34.564 3.046 12.498 1.00 35.77 N ATOM 1135 CA THR U 117 34.072 3.271 11.132 1.00 35.91 C ATOM 1136 C THR U 117 33.034 4.392 11.000 1.00 36.73 C ATOM 1137 O THR U 117 32.540 4.657 9.899 1.00 35.37 O ATOM 1138 CB THR U 117 33.504 1.966 10.552 1.00 35.68 C ATOM 1139 OG1 THR U 117 32.397 1.503 11.341 1.00 33.90 O ATOM 1140 CG2 THR U 117 34.577 0.909 10.528 1.00 35.90 C ATOM 1141 HG1 THR U 117 32.045 0.663 10.953 1.00 0.00 H ATOM 1142 H THR U 117 33.942 2.575 13.186 1.00 0.00 H ATOM 1143 N ILE U 118 32.709 5.056 12.112 1.00 35.57 N ATOM 1144 CA ILE U 118 31.654 6.073 12.127 1.00 35.50 C ATOM 1145 C ILE U 118 32.097 7.192 13.065 1.00 38.01 C ATOM 1146 O ILE U 118 32.081 7.002 14.283 1.00 40.12 O ATOM 1147 CB ILE U 118 30.294 5.495 12.585 1.00 35.68 C ATOM 1148 CG1 ILE U 118 29.813 4.386 11.633 1.00 35.64 C ATOM 1149 CG2 ILE U 118 29.244 6.602 12.682 1.00 36.52 C ATOM 1150 CD1 ILE U 118 28.571 3.662 12.097 1.00 35.11 C ATOM 1151 H ILE U 118 33.220 4.845 12.993 1.00 0.00 H ATOM 1152 N GLN U 119 32.513 8.332 12.497 1.00 37.81 N ATOM 1153 CA GLN U 119 32.930 9.525 13.258 1.00 39.00 C ATOM 1154 C GLN U 119 32.336 10.789 12.652 1.00 39.23 C ATOM 1155 O GLN U 119 31.988 10.807 11.476 1.00 37.70 O ATOM 1156 CB GLN U 119 34.453 9.690 13.260 1.00 40.26 C ATOM 1157 CG GLN U 119 35.216 8.629 14.034 1.00 40.79 C ATOM 1158 CD GLN U 119 35.064 8.767 15.543 1.00 40.86 C ATOM 1159 OE1 GLN U 119 35.224 9.854 16.100 1.00 44.09 O ATOM 1160 NE2 GLN U 119 34.755 7.659 16.208 1.00 42.94 N ATOM 1161 HE22 GLN U 119 34.629 6.763 15.695 1.00 0.00 H ATOM 1162 HE21 GLN U 119 34.639 7.688 17.241 1.00 0.00 H ATOM 1163 H GLN U 119 32.544 8.379 11.458 1.00 0.00 H ATOM 1164 N THR U 120 32.250 11.856 13.446 1.00 39.03 N ATOM 1165 CA THR U 120 31.780 13.142 12.947 1.00 38.08 C ATOM 1166 C THR U 120 32.972 13.926 12.394 1.00 36.08 C ATOM 1167 O THR U 120 34.110 13.646 12.746 1.00 37.02 O ATOM 1168 CB THR U 120 31.021 13.946 14.044 1.00 38.48 C ATOM 1169 OG1 THR U 120 31.858 14.114 15.193 1.00 39.62 O ATOM 1170 CG2 THR U 120 29.752 13.216 14.469 1.00 37.81 C ATOM 1171 HG1 THR U 120 31.368 14.626 15.885 1.00 0.00 H ATOM 1172 H THR U 120 32.525 11.769 14.445 1.00 0.00 H ATOM 1173 N ILE U 121 32.708 14.893 11.509 1.00 36.37 N ATOM 1174 CA ILE U 121 33.740 15.797 10.980 1.00 36.85 C ATOM 1175 C ILE U 121 33.471 17.249 11.408 1.00 39.77 C ATOM 1176 O ILE U 121 32.323 17.719 11.374 1.00 37.71 O ATOM 1177 CB ILE U 121 33.860 15.712 9.429 1.00 37.62 C ATOM 1178 CG1 ILE U 121 34.993 16.596 8.883 1.00 38.06 C ATOM 1179 CG2 ILE U 121 32.559 16.092 8.736 1.00 37.14 C ATOM 1180 CD1 ILE U 121 36.388 16.168 9.304 1.00 39.61 C ATOM 1181 H ILE U 121 31.729 15.011 11.180 1.00 0.00 H ATOM 1182 N ALA U 122 34.539 17.960 11.771 1.00 40.92 N ATOM 1183 CA ALA U 122 34.435 19.350 12.229 1.00 42.64 C ATOM 1184 C ALA U 122 34.045 20.313 11.110 1.00 44.11 C ATOM 1185 O ALA U 122 34.505 20.194 9.965 1.00 40.20 O ATOM 1186 CB ALA U 122 35.745 19.808 12.860 1.00 42.75 C ATOM 1187 H ALA U 122 35.478 17.514 11.728 1.00 0.00 H ATOM 1188 N LEU U 123 33.194 21.274 11.453 1.00 40.42 N ATOM 1189 CA LEU U 123 32.881 22.370 10.543 1.00 41.35 C ATOM 1190 C LEU U 123 33.981 23.418 10.616 1.00 41.08 C ATOM 1191 O LEU U 123 34.735 23.464 11.600 1.00 42.10 O ATOM 1192 CB LEU U 123 31.516 22.982 10.888 1.00 40.57 C ATOM 1193 CG LEU U 123 30.335 22.073 10.551 1.00 40.66 C ATOM 1194 CD1 LEU U 123 29.059 22.570 11.218 1.00 41.24 C ATOM 1195 CD2 LEU U 123 30.159 21.967 9.035 1.00 39.29 C ATOM 1196 H LEU U 123 32.742 21.244 12.389 1.00 0.00 H ATOM 1197 N PRO U 124 34.098 24.259 9.574 1.00 41.47 N ATOM 1198 CA PRO U 124 35.093 25.332 9.584 1.00 41.82 C ATOM 1199 C PRO U 124 34.706 26.519 10.474 1.00 46.97 C ATOM 1200 O PRO U 124 33.636 26.507 11.103 1.00 44.42 O ATOM 1201 CB PRO U 124 35.161 25.771 8.115 1.00 42.74 C ATOM 1202 CG PRO U 124 33.866 25.361 7.519 1.00 41.26 C ATOM 1203 CD PRO U 124 33.377 24.174 8.289 1.00 41.57 C ATOM 1204 N SER U 125 35.604 27.504 10.535 1.00 49.48 N ATOM 1205 CA SER U 125 35.339 28.807 11.157 1.00 50.12 C ATOM 1206 C SER U 125 34.846 29.758 10.077 1.00 51.39 C ATOM 1207 O SER U 125 35.326 29.725 8.944 1.00 49.90 O ATOM 1208 CB SER U 125 36.605 29.378 11.800 1.00 50.80 C ATOM 1209 OG SER U 125 36.991 28.628 12.937 1.00 51.26 O ATOM 1210 HG SER U 125 37.811 29.022 13.328 1.00 0.00 H ATOM 1211 H SER U 125 36.543 27.340 10.119 1.00 0.00 H ATOM 1212 N MET U 126 33.899 30.617 10.432 1.00 50.82 N ATOM 1213 CA MET U 126 33.222 31.447 9.442 1.00 50.60 C ATOM 1214 C MET U 126 34.187 32.267 8.585 1.00 49.65 C ATOM 1215 O MET U 126 35.127 32.883 9.094 1.00 51.31 O ATOM 1216 CB MET U 126 32.195 32.360 10.114 1.00 51.24 C ATOM 1217 CG MET U 126 32.777 33.338 11.107 1.00 51.21 C ATOM 1218 SD MET U 126 31.552 34.570 11.553 1.00 52.29 S ATOM 1219 CE MET U 126 32.653 35.903 12.035 1.00 49.45 C ATOM 1220 H MET U 126 33.635 30.700 11.434 1.00 0.00 H ATOM 1221 N TYR U 127 33.952 32.234 7.273 1.00 49.14 N ATOM 1222 CA TYR U 127 34.699 33.026 6.298 1.00 48.68 C ATOM 1223 C TYR U 127 36.216 32.778 6.356 1.00 50.17 C ATOM 1224 O TYR U 127 37.018 33.650 6.008 1.00 52.60 O ATOM 1225 CB TYR U 127 34.327 34.515 6.438 1.00 47.53 C ATOM 1226 CG TYR U 127 32.936 34.806 5.905 1.00 47.35 C ATOM 1227 CD1 TYR U 127 31.803 34.399 6.601 1.00 47.17 C ATOM 1228 CD2 TYR U 127 32.755 35.447 4.685 1.00 45.83 C ATOM 1229 CE1 TYR U 127 30.533 34.644 6.109 1.00 47.50 C ATOM 1230 CE2 TYR U 127 31.486 35.692 4.187 1.00 46.65 C ATOM 1231 CZ TYR U 127 30.382 35.287 4.901 1.00 46.02 C ATOM 1232 OH TYR U 127 29.125 35.527 4.405 1.00 47.80 O ATOM 1233 HH TYR U 127 28.449 35.175 5.037 1.00 0.00 H ATOM 1234 H TYR U 127 33.196 31.611 6.924 1.00 0.00 H ATOM 1235 N ASN U 128 36.589 31.569 6.776 1.00 52.97 N ATOM 1236 CA ASN U 128 37.984 31.154 6.870 1.00 52.64 C ATOM 1237 C ASN U 128 38.218 29.881 6.068 1.00 51.19 C ATOM 1238 O ASN U 128 37.853 28.779 6.497 1.00 51.25 O ATOM 1239 CB ASN U 128 38.396 30.921 8.327 1.00 54.02 C ATOM 1240 CG ASN U 128 39.808 30.374 8.455 1.00 54.35 C ATOM 1241 OD1 ASN U 128 40.060 29.444 9.224 1.00 58.29 O ATOM 1242 ND2 ASN U 128 40.737 30.946 7.692 1.00 53.55 N ATOM 1243 HD22 ASN U 128 40.479 31.728 7.057 1.00 0.00 H ATOM 1244 HD21 ASN U 128 41.721 30.610 7.731 1.00 0.00 H ATOM 1245 H ASN U 128 35.850 30.890 7.050 1.00 0.00 H ATOM 1246 N ASP U 129 38.822 30.050 4.900 1.00 50.44 N ATOM 1247 CA ASP U 129 39.170 28.938 4.039 1.00 51.23 C ATOM 1248 C ASP U 129 40.675 28.932 3.827 1.00 50.59 C ATOM 1249 O ASP U 129 41.330 29.967 3.958 1.00 49.16 O ATOM 1250 CB ASP U 129 38.450 29.066 2.699 1.00 53.17 C ATOM 1251 CG ASP U 129 36.956 29.260 2.863 1.00 54.81 C ATOM 1252 OD1 ASP U 129 36.347 28.527 3.668 1.00 55.73 O ATOM 1253 OD2 ASP U 129 36.392 30.149 2.195 1.00 56.83 O ATOM 1254 H ASP U 129 39.054 31.015 4.591 1.00 0.00 H ATOM 1255 N PRO U 130 41.237 27.761 3.498 1.00 49.59 N ATOM 1256 CA PRO U 130 42.668 27.695 3.220 1.00 47.84 C ATOM 1257 C PRO U 130 43.110 28.535 2.015 1.00 46.84 C ATOM 1258 O PRO U 130 42.285 28.986 1.215 1.00 47.14 O ATOM 1259 CB PRO U 130 42.906 26.204 2.938 1.00 47.95 C ATOM 1260 CG PRO U 130 41.754 25.492 3.547 1.00 49.05 C ATOM 1261 CD PRO U 130 40.597 26.434 3.440 1.00 49.09 C ATOM 1262 N GLN U 131 44.423 28.709 1.907 1.00 45.77 N ATOM 1263 CA GLN U 131 45.070 29.458 0.827 1.00 48.50 C ATOM 1264 C GLN U 131 44.895 28.725 -0.502 1.00 47.29 C ATOM 1265 O GLN U 131 44.819 27.500 -0.518 1.00 50.50 O ATOM 1266 CB GLN U 131 46.584 29.597 1.094 1.00 50.80 C ATOM 1267 CG GLN U 131 47.012 29.716 2.557 1.00 53.30 C ATOM 1268 CD GLN U 131 46.916 28.406 3.333 1.00 56.24 C ATOM 1269 OE1 GLN U 131 46.292 28.352 4.394 1.00 58.33 O ATOM 1270 NE2 GLN U 131 47.507 27.339 2.792 1.00 57.09 N ATOM 1271 HE22 GLN U 131 48.024 27.430 1.894 1.00 0.00 H ATOM 1272 HE21 GLN U 131 47.451 26.416 3.268 1.00 0.00 H ATOM 1273 H GLN U 131 45.031 28.286 2.637 1.00 0.00 H ATOM 1274 N PHE U 132 44.863 29.454 -1.615 1.00 47.97 N ATOM 1275 CA PHE U 132 44.833 28.794 -2.923 1.00 48.92 C ATOM 1276 C PHE U 132 46.132 28.004 -3.115 1.00 48.48 C ATOM 1277 O PHE U 132 47.194 28.427 -2.656 1.00 49.94 O ATOM 1278 CB PHE U 132 44.554 29.779 -4.081 1.00 50.95 C ATOM 1279 CG PHE U 132 45.773 30.496 -4.612 1.00 53.09 C ATOM 1280 CD1 PHE U 132 46.698 29.836 -5.419 1.00 53.46 C ATOM 1281 CD2 PHE U 132 45.971 31.849 -4.345 1.00 53.74 C ATOM 1282 CE1 PHE U 132 47.809 30.500 -5.914 1.00 54.50 C ATOM 1283 CE2 PHE U 132 47.077 32.518 -4.844 1.00 54.68 C ATOM 1284 CZ PHE U 132 47.996 31.844 -5.630 1.00 55.36 C ATOM 1285 H PHE U 132 44.859 30.492 -1.556 1.00 0.00 H ATOM 1286 N GLY U 133 46.033 26.850 -3.773 1.00 47.64 N ATOM 1287 CA GLY U 133 47.163 25.927 -3.915 1.00 44.81 C ATOM 1288 C GLY U 133 47.270 24.891 -2.805 1.00 42.52 C ATOM 1289 O GLY U 133 48.060 23.954 -2.905 1.00 40.70 O ATOM 1290 H GLY U 133 45.121 26.594 -4.202 1.00 0.00 H ATOM 1291 N THR U 134 46.487 25.055 -1.743 1.00 40.12 N ATOM 1292 CA THR U 134 46.411 24.060 -0.678 1.00 41.26 C ATOM 1293 C THR U 134 45.818 22.752 -1.213 1.00 40.49 C ATOM 1294 O THR U 134 44.868 22.792 -1.981 1.00 39.62 O ATOM 1295 CB THR U 134 45.494 24.553 0.448 1.00 41.56 C ATOM 1296 OG1 THR U 134 45.937 25.844 0.888 1.00 42.16 O ATOM 1297 CG2 THR U 134 45.475 23.575 1.606 1.00 41.81 C ATOM 1298 HG1 THR U 134 45.903 26.479 0.130 1.00 0.00 H ATOM 1299 H THR U 134 45.912 25.918 -1.669 1.00 0.00 H ATOM 1300 N SER U 135 46.376 21.615 -0.795 1.00 40.14 N ATOM 1301 CA SER U 135 45.858 20.286 -1.164 1.00 39.63 C ATOM 1302 C SER U 135 44.769 19.818 -0.201 1.00 39.25 C ATOM 1303 O SER U 135 44.965 19.857 1.010 1.00 38.26 O ATOM 1304 CB SER U 135 46.992 19.257 -1.157 1.00 41.20 C ATOM 1305 OG SER U 135 47.885 19.489 -2.230 1.00 43.30 O ATOM 1306 HG SER U 135 48.274 20.395 -2.144 1.00 0.00 H ATOM 1307 H SER U 135 47.214 21.669 -0.181 1.00 0.00 H ATOM 1308 N CYS U 136 43.631 19.369 -0.742 1.00 36.30 N ATOM 1309 CA CYS U 136 42.537 18.827 0.065 1.00 35.02 C ATOM 1310 C CYS U 136 42.092 17.467 -0.475 1.00 33.33 C ATOM 1311 O CYS U 136 42.414 17.124 -1.610 1.00 33.78 O ATOM 1312 CB CYS U 136 41.351 19.787 0.045 1.00 37.69 C ATOM 1313 SG CYS U 136 41.766 21.450 0.622 1.00 40.57 S ATOM 1314 H CYS U 136 43.519 19.406 -1.775 1.00 0.00 H ATOM 1315 N GLU U 137 41.342 16.726 0.338 1.00 32.70 N ATOM 1316 CA GLU U 137 40.815 15.394 -0.023 1.00 32.24 C ATOM 1317 C GLU U 137 39.340 15.429 -0.431 1.00 31.79 C ATOM 1318 O GLU U 137 38.542 16.123 0.199 1.00 29.32 O ATOM 1319 CB GLU U 137 40.896 14.449 1.175 1.00 35.41 C ATOM 1320 CG GLU U 137 42.283 14.020 1.619 1.00 38.40 C ATOM 1321 CD GLU U 137 42.257 13.322 2.975 1.00 41.36 C ATOM 1322 OE1 GLU U 137 41.197 13.329 3.642 1.00 45.97 O ATOM 1323 OE2 GLU U 137 43.295 12.759 3.379 1.00 47.67 O ATOM 1324 H GLU U 137 41.115 17.106 1.279 1.00 0.00 H ATOM 1325 N ILE U 138 38.983 14.644 -1.455 1.00 29.62 N ATOM 1326 CA ILE U 138 37.569 14.342 -1.784 1.00 27.60 C ATOM 1327 C ILE U 138 37.331 12.825 -1.738 1.00 25.03 C ATOM 1328 O ILE U 138 38.258 12.044 -1.971 1.00 24.25 O ATOM 1329 CB ILE U 138 37.166 14.930 -3.159 1.00 28.09 C ATOM 1330 CG1 ILE U 138 38.181 14.579 -4.240 1.00 29.32 C ATOM 1331 CG2 ILE U 138 37.042 16.447 -3.084 1.00 30.47 C ATOM 1332 CD1 ILE U 138 37.830 15.169 -5.583 1.00 29.77 C ATOM 1333 H ILE U 138 39.731 14.227 -2.046 1.00 0.00 H ATOM 1334 N THR U 139 36.109 12.405 -1.428 1.00 22.13 N ATOM 1335 CA THR U 139 35.770 10.989 -1.247 1.00 23.06 C ATOM 1336 C THR U 139 34.377 10.703 -1.805 1.00 22.56 C ATOM 1337 O THR U 139 33.489 11.560 -1.758 1.00 23.74 O ATOM 1338 CB THR U 139 35.789 10.599 0.256 1.00 24.94 C ATOM 1339 OG1 THR U 139 37.069 10.915 0.802 1.00 28.68 O ATOM 1340 CG2 THR U 139 35.512 9.098 0.481 1.00 26.43 C ATOM 1341 HG1 THR U 139 37.237 11.886 0.706 1.00 0.00 H ATOM 1342 H THR U 139 35.357 13.114 -1.308 1.00 0.00 H ATOM 1343 N GLY U 140 34.180 9.499 -2.314 1.00 21.90 N ATOM 1344 CA GLY U 140 32.877 9.112 -2.833 1.00 21.55 C ATOM 1345 C GLY U 140 32.884 7.873 -3.723 1.00 21.87 C ATOM 1346 O GLY U 140 33.935 7.257 -3.950 1.00 21.50 O ATOM 1347 H GLY U 140 34.967 8.819 -2.344 1.00 0.00 H ATOM 1348 N PHE U 141 31.683 7.523 -4.175 1.00 20.85 N ATOM 1349 CA PHE U 141 31.398 6.314 -4.945 1.00 22.22 C ATOM 1350 C PHE U 141 31.083 6.707 -6.385 1.00 21.54 C ATOM 1351 O PHE U 141 30.470 5.918 -7.100 1.00 22.21 O ATOM 1352 CB PHE U 141 30.164 5.614 -4.410 1.00 23.49 C ATOM 1353 CG PHE U 141 30.364 4.860 -3.119 1.00 23.34 C ATOM 1354 CD1 PHE U 141 31.137 3.715 -3.083 1.00 24.28 C ATOM 1355 CD2 PHE U 141 29.687 5.252 -1.958 1.00 25.67 C ATOM 1356 CE1 PHE U 141 31.294 2.996 -1.913 1.00 25.54 C ATOM 1357 CE2 PHE U 141 29.827 4.534 -0.796 1.00 25.61 C ATOM 1358 CZ PHE U 141 30.646 3.411 -0.765 1.00 26.32 C ATOM 1359 H PHE U 141 30.886 8.158 -3.965 1.00 0.00 H ATOM 1360 N GLY U 142 31.430 7.934 -6.755 1.00 21.39 N ATOM 1361 CA GLY U 142 31.182 8.441 -8.114 1.00 22.34 C ATOM 1362 C GLY U 142 31.992 7.693 -9.161 1.00 22.46 C ATOM 1363 O GLY U 142 32.903 6.916 -8.864 1.00 22.74 O ATOM 1364 H GLY U 142 31.892 8.557 -6.062 1.00 0.00 H ATOM 1365 N LYS U 143 31.677 7.960 -10.426 1.00 22.76 N ATOM 1366 CA LYS U 143 32.345 7.263 -11.513 1.00 24.57 C ATOM 1367 C LYS U 143 33.859 7.432 -11.539 1.00 23.70 C ATOM 1368 O LYS U 143 34.372 8.487 -11.174 1.00 23.49 O ATOM 1369 CB LYS U 143 31.755 7.750 -12.837 1.00 25.77 C ATOM 1370 CG LYS U 143 30.285 7.464 -12.924 1.00 27.63 C ATOM 1371 CD LYS U 143 29.724 7.844 -14.284 1.00 30.15 C ATOM 1372 CE LYS U 143 28.357 7.228 -14.461 1.00 32.20 C ATOM 1373 NZ LYS U 143 27.718 7.667 -15.737 1.00 33.96 N ATOM 1374 HZ1 LYS U 143 27.615 8.702 -15.733 1.00 0.00 H ATOM 1375 HZ2 LYS U 143 28.315 7.380 -16.539 1.00 0.00 H ATOM 1376 HZ3 LYS U 143 26.781 7.224 -15.824 1.00 0.00 H ATOM 1377 H LYS U 143 30.949 8.671 -10.638 1.00 0.00 H ATOM 1378 N GLU U 144 34.552 6.377 -11.992 1.00 25.84 N ATOM 1379 CA GLU U 144 36.018 6.329 -12.100 1.00 25.82 C ATOM 1380 C GLU U 144 36.500 6.881 -13.442 1.00 27.99 C ATOM 1381 O GLU U 144 37.665 7.281 -13.591 1.00 29.06 O ATOM 1382 CB GLU U 144 36.523 4.891 -11.932 1.00 26.91 C ATOM 1383 CG GLU U 144 36.247 4.257 -10.583 1.00 26.95 C ATOM 1384 CD GLU U 144 37.137 3.060 -10.353 1.00 25.63 C ATOM 1385 OE1 GLU U 144 36.634 1.942 -10.447 1.00 26.45 O ATOM 1386 OE2 GLU U 144 38.351 3.238 -10.152 1.00 27.70 O ATOM 1387 H GLU U 144 34.016 5.536 -12.287 1.00 0.00 H ATOM 1388 N GLN U 145 35.581 6.896 -14.408 1.00 29.75 N ATOM 1389 CA GLN U 145 35.775 7.549 -15.696 1.00 31.60 C ATOM 1390 C GLN U 145 34.451 8.128 -16.169 1.00 28.73 C ATOM 1391 O GLN U 145 33.390 7.539 -15.956 1.00 26.12 O ATOM 1392 CB GLN U 145 36.246 6.566 -16.765 1.00 34.20 C ATOM 1393 CG GLN U 145 37.154 5.446 -16.315 1.00 36.79 C ATOM 1394 CD GLN U 145 37.464 4.514 -17.471 1.00 39.82 C ATOM 1395 OE1 GLN U 145 36.580 3.815 -17.969 1.00 46.25 O ATOM 1396 NE2 GLN U 145 38.713 4.511 -17.914 1.00 41.60 N ATOM 1397 HE22 GLN U 145 39.426 5.118 -17.462 1.00 0.00 H ATOM 1398 HE21 GLN U 145 38.980 3.902 -18.713 1.00 0.00 H ATOM 1399 H GLN U 145 34.676 6.415 -14.232 1.00 0.00 H ATOM 1400 N SER U 146 34.521 9.257 -16.864 1.00 31.84 N ATOM 1401 CA SER U 146 33.333 9.921 -17.403 1.00 33.03 C ATOM 1402 C SER U 146 32.469 9.005 -18.284 1.00 33.98 C ATOM 1403 O SER U 146 31.243 9.087 -18.257 1.00 34.84 O ATOM 1404 CB SER U 146 33.740 11.153 -18.213 1.00 33.70 C ATOM 1405 OG SER U 146 34.356 12.118 -17.393 1.00 33.59 O ATOM 1406 HG SER U 146 34.609 12.903 -17.941 1.00 0.00 H ATOM 1407 H SER U 146 35.454 9.685 -17.032 1.00 0.00 H ATOM 1408 N THR U 147 33.115 8.122 -19.038 1.00 36.33 N ATOM 1409 CA THR U 147 32.399 7.226 -19.959 1.00 38.24 C ATOM 1410 C THR U 147 31.790 5.994 -19.276 1.00 39.07 C ATOM 1411 O THR U 147 30.979 5.284 -19.879 1.00 38.71 O ATOM 1412 CB THR U 147 33.318 6.774 -21.113 1.00 39.83 C ATOM 1413 OG1 THR U 147 34.505 6.174 -20.588 1.00 39.34 O ATOM 1414 CG2 THR U 147 33.707 7.962 -21.978 1.00 40.43 C ATOM 1415 HG1 THR U 147 35.087 5.888 -21.336 1.00 0.00 H ATOM 1416 H THR U 147 34.151 8.063 -18.976 1.00 0.00 H ATOM 1417 N ASP U 148 32.154 5.735 -18.019 1.00 35.87 N ATOM 1418 CA ASP U 148 31.604 4.578 -17.314 1.00 36.13 C ATOM 1419 C ASP U 148 30.091 4.644 -17.205 1.00 35.46 C ATOM 1420 O ASP U 148 29.511 5.717 -17.019 1.00 35.98 O ATOM 1421 CB ASP U 148 32.210 4.435 -15.906 1.00 34.77 C ATOM 1422 CG ASP U 148 33.634 3.909 -15.932 1.00 34.74 C ATOM 1423 OD1 ASP U 148 34.130 3.580 -17.022 1.00 33.93 O ATOM 1424 OD2 ASP U 148 34.273 3.809 -14.858 1.00 33.31 O ATOM 1425 H ASP U 148 32.833 6.359 -17.538 1.00 0.00 H ATOM 1426 N TYR U 149 29.466 3.478 -17.312 1.00 35.47 N ATOM 1427 CA TYR U 149 28.046 3.332 -17.066 1.00 38.85 C ATOM 1428 C TYR U 149 27.836 2.992 -15.600 1.00 36.60 C ATOM 1429 O TYR U 149 26.815 3.331 -15.019 1.00 37.86 O ATOM 1430 CB TYR U 149 27.467 2.217 -17.939 1.00 42.16 C ATOM 1431 CG TYR U 149 25.967 2.027 -17.801 1.00 45.19 C ATOM 1432 CD1 TYR U 149 25.077 3.043 -18.154 1.00 46.99 C ATOM 1433 CD2 TYR U 149 25.436 0.824 -17.336 1.00 47.18 C ATOM 1434 CE1 TYR U 149 23.706 2.871 -18.037 1.00 47.29 C ATOM 1435 CE2 TYR U 149 24.066 0.642 -17.216 1.00 48.78 C ATOM 1436 CZ TYR U 149 23.207 1.668 -17.566 1.00 48.05 C ATOM 1437 OH TYR U 149 21.852 1.484 -17.454 1.00 48.89 O ATOM 1438 HH TYR U 149 21.383 2.307 -17.742 1.00 0.00 H ATOM 1439 H TYR U 149 30.016 2.638 -17.583 1.00 0.00 H ATOM 1440 N LEU U 150 28.809 2.300 -15.018 1.00 35.18 N ATOM 1441 CA LEU U 150 28.701 1.822 -13.651 1.00 33.34 C ATOM 1442 C LEU U 150 29.486 2.686 -12.685 1.00 30.50 C ATOM 1443 O LEU U 150 30.299 3.534 -13.072 1.00 28.13 O ATOM 1444 CB LEU U 150 29.212 0.388 -13.547 1.00 36.09 C ATOM 1445 CG LEU U 150 28.432 -0.639 -14.371 1.00 38.44 C ATOM 1446 CD1 LEU U 150 29.264 -1.900 -14.526 1.00 38.44 C ATOM 1447 CD2 LEU U 150 27.079 -0.926 -13.727 1.00 38.89 C ATOM 1448 H LEU U 150 29.674 2.094 -15.557 1.00 0.00 H ATOM 1449 N TYR U 151 29.202 2.447 -11.412 1.00 29.50 N ATOM 1450 CA TYR U 151 29.863 3.120 -10.307 1.00 28.87 C ATOM 1451 C TYR U 151 30.700 2.080 -9.582 1.00 27.29 C ATOM 1452 O TYR U 151 30.323 0.914 -9.550 1.00 26.88 O ATOM 1453 CB TYR U 151 28.818 3.718 -9.373 1.00 29.57 C ATOM 1454 CG TYR U 151 28.056 4.828 -10.041 1.00 31.45 C ATOM 1455 CD1 TYR U 151 26.984 4.552 -10.888 1.00 34.97 C ATOM 1456 CD2 TYR U 151 28.447 6.147 -9.898 1.00 33.91 C ATOM 1457 CE1 TYR U 151 26.308 5.564 -11.535 1.00 35.75 C ATOM 1458 CE2 TYR U 151 27.765 7.166 -10.534 1.00 33.18 C ATOM 1459 CZ TYR U 151 26.700 6.872 -11.348 1.00 36.80 C ATOM 1460 OH TYR U 151 26.025 7.892 -11.996 1.00 41.91 O ATOM 1461 HH TYR U 151 25.291 7.508 -12.538 1.00 0.00 H ATOM 1462 H TYR U 151 28.469 1.742 -11.194 1.00 0.00 H ATOM 1463 N PRO U 152 31.843 2.496 -9.011 1.00 25.24 N ATOM 1464 CA PRO U 152 32.708 1.560 -8.297 1.00 25.23 C ATOM 1465 C PRO U 152 31.956 0.988 -7.115 1.00 26.76 C ATOM 1466 O PRO U 152 31.131 1.698 -6.526 1.00 27.61 O ATOM 1467 CB PRO U 152 33.885 2.436 -7.846 1.00 24.78 C ATOM 1468 CG PRO U 152 33.364 3.829 -7.835 1.00 24.51 C ATOM 1469 CD PRO U 152 32.335 3.877 -8.939 1.00 24.48 C ATOM 1470 N GLU U 153 32.200 -0.281 -6.794 1.00 27.44 N ATOM 1471 CA GLU U 153 31.592 -0.867 -5.610 1.00 30.45 C ATOM 1472 C GLU U 153 32.400 -0.506 -4.369 1.00 27.92 C ATOM 1473 O GLU U 153 31.884 -0.637 -3.294 1.00 31.13 O ATOM 1474 CB GLU U 153 31.437 -2.400 -5.703 1.00 34.50 C ATOM 1475 CG GLU U 153 30.031 -2.876 -5.283 1.00 42.19 C ATOM 1476 CD GLU U 153 29.991 -4.000 -4.251 1.00 48.37 C ATOM 1477 OE1 GLU U 153 29.699 -3.719 -3.068 1.00 50.71 O ATOM 1478 OE2 GLU U 153 30.229 -5.174 -4.618 1.00 51.32 O ATOM 1479 H GLU U 153 32.828 -0.855 -7.392 1.00 0.00 H ATOM 1480 N GLN U 154 33.660 -0.100 -4.534 1.00 27.39 N ATOM 1481 CA GLN U 154 34.549 0.260 -3.417 1.00 27.33 C ATOM 1482 C GLN U 154 34.755 1.773 -3.358 1.00 26.47 C ATOM 1483 O GLN U 154 35.031 2.425 -4.364 1.00 26.49 O ATOM 1484 CB GLN U 154 35.899 -0.456 -3.569 1.00 27.94 C ATOM 1485 CG GLN U 154 36.863 -0.335 -2.397 1.00 28.51 C ATOM 1486 CD GLN U 154 36.446 -1.153 -1.180 1.00 29.69 C ATOM 1487 OE1 GLN U 154 35.848 -2.232 -1.307 1.00 30.54 O ATOM 1488 NE2 GLN U 154 36.768 -0.648 0.013 1.00 29.49 N ATOM 1489 HE22 GLN U 154 37.270 0.261 0.075 1.00 0.00 H ATOM 1490 HE21 GLN U 154 36.517 -1.163 0.881 1.00 0.00 H ATOM 1491 H GLN U 154 34.034 -0.034 -5.502 1.00 0.00 H ATOM 1492 N LEU U 155 34.668 2.328 -2.155 1.00 26.09 N ATOM 1493 CA LEU U 155 34.864 3.750 -1.952 1.00 22.96 C ATOM 1494 C LEU U 155 36.233 4.227 -2.433 1.00 21.77 C ATOM 1495 O LEU U 155 37.225 3.497 -2.387 1.00 23.87 O ATOM 1496 CB LEU U 155 34.705 4.054 -0.458 1.00 23.32 C ATOM 1497 CG LEU U 155 34.681 5.511 -0.066 1.00 21.92 C ATOM 1498 CD1 LEU U 155 33.407 6.172 -0.572 1.00 21.49 C ATOM 1499 CD2 LEU U 155 34.740 5.544 1.462 1.00 22.67 C ATOM 1500 H LEU U 155 34.453 1.725 -1.335 1.00 0.00 H ATOM 1501 N LYS U 156 36.295 5.471 -2.867 1.00 20.59 N ATOM 1502 CA LYS U 156 37.523 6.056 -3.342 1.00 20.61 C ATOM 1503 C LYS U 156 37.756 7.430 -2.772 1.00 21.07 C ATOM 1504 O LYS U 156 36.830 8.105 -2.315 1.00 22.61 O ATOM 1505 CB LYS U 156 37.469 6.195 -4.873 1.00 20.56 C ATOM 1506 CG LYS U 156 37.330 4.880 -5.591 1.00 21.27 C ATOM 1507 CD LYS U 156 37.501 5.094 -7.110 1.00 22.02 C ATOM 1508 CE LYS U 156 38.934 5.436 -7.467 1.00 23.95 C ATOM 1509 NZ LYS U 156 39.149 5.685 -8.943 1.00 23.33 N ATOM 1510 HZ1 LYS U 156 38.891 4.832 -9.479 1.00 0.00 H ATOM 1511 HZ2 LYS U 156 38.554 6.481 -9.249 1.00 0.00 H ATOM 1512 HZ3 LYS U 156 40.149 5.913 -9.113 1.00 0.00 H ATOM 1513 H LYS U 156 35.430 6.048 -2.866 1.00 0.00 H ATOM 1514 N MET U 157 38.994 7.860 -2.862 1.00 21.99 N ATOM 1515 CA MET U 157 39.368 9.203 -2.506 1.00 25.39 C ATOM 1516 C MET U 157 40.521 9.693 -3.356 1.00 26.13 C ATOM 1517 O MET U 157 41.261 8.889 -3.954 1.00 26.20 O ATOM 1518 CB MET U 157 39.723 9.248 -1.014 1.00 28.15 C ATOM 1519 CG MET U 157 41.028 8.551 -0.665 1.00 31.71 C ATOM 1520 SD MET U 157 41.410 8.612 1.105 1.00 39.87 S ATOM 1521 CE MET U 157 41.169 10.352 1.428 1.00 36.45 C ATOM 1522 H MET U 157 39.729 7.207 -3.202 1.00 0.00 H ATOM 1523 N THR U 158 40.658 11.008 -3.436 1.00 24.90 N ATOM 1524 CA THR U 158 41.780 11.613 -4.133 1.00 25.86 C ATOM 1525 C THR U 158 42.115 12.973 -3.549 1.00 28.28 C ATOM 1526 O THR U 158 41.483 13.419 -2.572 1.00 29.13 O ATOM 1527 CB THR U 158 41.552 11.745 -5.668 1.00 25.03 C ATOM 1528 OG1 THR U 158 42.820 11.947 -6.310 1.00 25.96 O ATOM 1529 CG2 THR U 158 40.643 12.895 -6.011 1.00 25.03 C ATOM 1530 HG1 THR U 158 42.684 12.032 -7.287 1.00 0.00 H ATOM 1531 H THR U 158 39.946 11.621 -2.990 1.00 0.00 H ATOM 1532 N VAL U 159 43.109 13.617 -4.154 1.00 29.85 N ATOM 1533 CA VAL U 159 43.550 14.956 -3.747 1.00 31.48 C ATOM 1534 C VAL U 159 43.408 15.930 -4.892 1.00 31.58 C ATOM 1535 O VAL U 159 43.768 15.624 -6.026 1.00 32.57 O ATOM 1536 CB VAL U 159 45.013 14.941 -3.272 1.00 33.49 C ATOM 1537 CG1 VAL U 159 45.575 16.356 -3.125 1.00 35.33 C ATOM 1538 CG2 VAL U 159 45.106 14.188 -1.965 1.00 32.37 C ATOM 1539 H VAL U 159 43.594 13.152 -4.948 1.00 0.00 H ATOM 1540 N VAL U 160 42.896 17.114 -4.566 1.00 32.16 N ATOM 1541 CA VAL U 160 42.836 18.242 -5.478 1.00 31.70 C ATOM 1542 C VAL U 160 43.300 19.492 -4.718 1.00 32.17 C ATOM 1543 O VAL U 160 43.257 19.523 -3.482 1.00 30.72 O ATOM 1544 CB VAL U 160 41.419 18.443 -6.059 1.00 32.28 C ATOM 1545 CG1 VAL U 160 41.084 17.324 -7.039 1.00 32.10 C ATOM 1546 CG2 VAL U 160 40.386 18.519 -4.940 1.00 33.79 C ATOM 1547 H VAL U 160 42.518 17.238 -3.605 1.00 0.00 H ATOM 1548 N LYS U 161 43.775 20.484 -5.460 1.00 32.42 N ATOM 1549 CA LYS U 161 44.241 21.736 -4.876 1.00 36.23 C ATOM 1550 C LYS U 161 43.250 22.873 -5.116 1.00 36.77 C ATOM 1551 O LYS U 161 42.686 23.017 -6.206 1.00 33.96 O ATOM 1552 CB LYS U 161 45.614 22.110 -5.419 1.00 37.14 C ATOM 1553 CG LYS U 161 46.694 21.122 -5.032 1.00 38.89 C ATOM 1554 CD LYS U 161 48.061 21.598 -5.478 1.00 41.79 C ATOM 1555 CE LYS U 161 49.080 20.478 -5.396 1.00 44.23 C ATOM 1556 NZ LYS U 161 50.463 21.007 -5.253 1.00 47.62 N ATOM 1557 HZ1 LYS U 161 50.692 21.601 -6.075 1.00 0.00 H ATOM 1558 HZ2 LYS U 161 50.527 21.575 -4.384 1.00 0.00 H ATOM 1559 HZ3 LYS U 161 51.133 20.213 -5.200 1.00 0.00 H ATOM 1560 H LYS U 161 43.816 20.365 -6.492 1.00 0.00 H ATOM 1561 N LEU U 162 43.048 23.672 -4.075 1.00 38.90 N ATOM 1562 CA LEU U 162 42.188 24.849 -4.144 1.00 40.99 C ATOM 1563 C LEU U 162 42.681 25.859 -5.182 1.00 41.74 C ATOM 1564 O LEU U 162 43.885 26.087 -5.330 1.00 41.65 O ATOM 1565 CB LEU U 162 42.092 25.519 -2.766 1.00 42.90 C ATOM 1566 CG LEU U 162 40.937 25.223 -1.794 1.00 45.02 C ATOM 1567 CD1 LEU U 162 40.075 24.023 -2.168 1.00 45.33 C ATOM 1568 CD2 LEU U 162 41.458 25.079 -0.371 1.00 44.88 C ATOM 1569 H LEU U 162 43.521 23.450 -3.176 1.00 0.00 H ATOM 1570 N ILE U 163 41.726 26.449 -5.892 1.00 41.59 N ATOM 1571 CA ILE U 163 41.981 27.413 -6.943 1.00 44.76 C ATOM 1572 C ILE U 163 41.454 28.768 -6.483 1.00 44.81 C ATOM 1573 O ILE U 163 40.396 28.844 -5.852 1.00 40.49 O ATOM 1574 CB ILE U 163 41.268 26.982 -8.242 1.00 45.83 C ATOM 1575 CG1 ILE U 163 41.905 25.693 -8.774 1.00 46.62 C ATOM 1576 CG2 ILE U 163 41.309 28.091 -9.289 1.00 46.06 C ATOM 1577 CD1 ILE U 163 41.195 25.094 -9.972 1.00 48.64 C ATOM 1578 H ILE U 163 40.737 26.205 -5.681 1.00 0.00 H ATOM 1579 N SER U 164 42.182 29.833 -6.811 1.00 47.74 N ATOM 1580 CA SER U 164 41.757 31.182 -6.445 1.00 50.28 C ATOM 1581 C SER U 164 40.452 31.539 -7.152 1.00 51.96 C ATOM 1582 O SER U 164 40.207 31.130 -8.298 1.00 49.11 O ATOM 1583 CB SER U 164 42.835 32.226 -6.775 1.00 50.10 C ATOM 1584 OG SER U 164 42.825 32.572 -8.152 1.00 49.69 O ATOM 1585 HG SER U 164 41.941 32.949 -8.390 1.00 0.00 H ATOM 1586 H SER U 164 43.069 29.702 -7.337 1.00 0.00 H ATOM 1587 N HIS U 165 39.618 32.297 -6.450 1.00 54.44 N ATOM 1588 CA HIS U 165 38.375 32.807 -7.005 1.00 57.05 C ATOM 1589 C HIS U 165 38.658 33.550 -8.307 1.00 56.88 C ATOM 1590 O HIS U 165 37.968 33.350 -9.308 1.00 56.03 O ATOM 1591 CB HIS U 165 37.707 33.745 -5.999 1.00 58.90 C ATOM 1592 CG HIS U 165 36.257 33.978 -6.266 1.00 63.16 C ATOM 1593 ND1 HIS U 165 35.802 34.639 -7.386 1.00 63.42 N ATOM 1594 CD2 HIS U 165 35.156 33.641 -5.554 1.00 64.50 C ATOM 1595 CE1 HIS U 165 34.484 34.700 -7.352 1.00 64.67 C ATOM 1596 NE2 HIS U 165 34.068 34.102 -6.253 1.00 65.85 N ATOM 1597 H HIS U 165 39.863 32.534 -5.468 1.00 0.00 H ATOM 1598 N ARG U 166 39.681 34.403 -8.270 1.00 58.04 N ATOM 1599 CA ARG U 166 40.169 35.125 -9.444 1.00 60.07 C ATOM 1600 C ARG U 166 40.389 34.181 -10.623 1.00 57.67 C ATOM 1601 O ARG U 166 39.902 34.433 -11.724 1.00 61.16 O ATOM 1602 CB ARG U 166 41.482 35.852 -9.110 1.00 61.60 C ATOM 1603 CG ARG U 166 42.227 36.434 -10.314 1.00 63.55 C ATOM 1604 CD ARG U 166 43.742 36.373 -10.148 1.00 64.60 C ATOM 1605 NE ARG U 166 44.350 37.698 -10.011 1.00 66.91 N ATOM 1606 CZ ARG U 166 44.829 38.435 -11.017 1.00 68.21 C ATOM 1607 NH1 ARG U 166 44.786 38.002 -12.276 1.00 68.94 N ATOM 1608 NH2 ARG U 166 45.359 39.627 -10.761 1.00 69.40 N ATOM 1609 HE ARG U 166 44.414 38.098 -9.053 1.00 0.00 H ATOM 1610 HH12 ARG U 166 45.165 38.594 -13.043 1.00 0.00 H ATOM 1611 HH11 ARG U 166 44.373 37.072 -12.492 1.00 0.00 H ATOM 1612 HH22 ARG U 166 45.734 40.207 -11.538 1.00 0.00 H ATOM 1613 HH21 ARG U 166 45.398 39.979 -9.783 1.00 0.00 H ATOM 1614 H ARG U 166 40.157 34.563 -7.359 1.00 0.00 H ATOM 1615 N GLU U 167 41.133 33.105 -10.388 1.00 56.95 N ATOM 1616 CA GLU U 167 41.480 32.163 -11.450 1.00 55.14 C ATOM 1617 C GLU U 167 40.255 31.428 -11.989 1.00 53.18 C ATOM 1618 O GLU U 167 40.102 31.280 -13.203 1.00 54.25 O ATOM 1619 CB GLU U 167 42.517 31.148 -10.956 1.00 55.99 C ATOM 1620 CG GLU U 167 43.095 30.269 -12.058 1.00 57.12 C ATOM 1621 CD GLU U 167 43.906 29.102 -11.528 1.00 59.44 C ATOM 1622 OE1 GLU U 167 44.340 29.143 -10.353 1.00 61.61 O ATOM 1623 OE2 GLU U 167 44.114 28.138 -12.296 1.00 56.08 O ATOM 1624 H GLU U 167 41.477 32.929 -9.423 1.00 0.00 H ATOM 1625 N CYS U 168 39.384 30.970 -11.093 1.00 51.28 N ATOM 1626 CA CYS U 168 38.240 30.158 -11.505 1.00 49.63 C ATOM 1627 C CYS U 168 37.191 30.994 -12.250 1.00 51.49 C ATOM 1628 O CYS U 168 36.480 30.472 -13.113 1.00 50.74 O ATOM 1629 CB CYS U 168 37.622 29.420 -10.307 1.00 49.00 C ATOM 1630 SG CYS U 168 36.710 27.926 -10.788 1.00 47.56 S ATOM 1631 H CYS U 168 39.519 31.193 -10.086 1.00 0.00 H ATOM 1632 N GLN U 169 37.118 32.281 -11.942 1.00 54.79 N ATOM 1633 CA GLN U 169 36.182 33.199 -12.585 1.00 57.66 C ATOM 1634 C GLN U 169 36.550 33.662 -14.008 1.00 61.07 C ATOM 1635 O GLN U 169 35.760 34.262 -14.661 1.00 61.52 O ATOM 1636 CB GLN U 169 35.831 34.387 -11.696 1.00 59.86 C ATOM 1637 CG GLN U 169 37.013 35.085 -11.047 1.00 62.56 C ATOM 1638 CD GLN U 169 36.609 36.399 -10.432 1.00 63.45 C ATOM 1639 OE1 GLN U 169 35.445 36.603 -10.134 1.00 65.51 O ATOM 1640 NE2 GLN U 169 37.561 37.293 -10.247 1.00 63.87 N ATOM 1641 HE22 GLN U 169 38.541 37.073 -10.517 1.00 0.00 H ATOM 1642 HE21 GLN U 169 37.332 38.218 -9.831 1.00 0.00 H ATOM 1643 H GLN U 169 37.756 32.654 -11.210 1.00 0.00 H ATOM 1644 N GLN U 170 37.762 33.401 -14.459 1.00 62.56 N ATOM 1645 CA GLN U 170 38.147 33.749 -15.805 1.00 64.51 C ATOM 1646 C GLN U 170 37.349 32.932 -16.827 1.00 65.22 C ATOM 1647 O GLN U 170 37.054 31.760 -16.597 1.00 62.72 O ATOM 1648 CB GLN U 170 39.662 33.668 -15.969 1.00 66.11 C ATOM 1649 CG GLN U 170 40.210 32.542 -16.806 1.00 66.69 C ATOM 1650 CD GLN U 170 41.663 32.259 -16.460 1.00 67.47 C ATOM 1651 OE1 GLN U 170 42.282 33.031 -15.757 1.00 67.51 O ATOM 1652 NE2 GLN U 170 42.208 31.163 -16.965 1.00 67.25 N ATOM 1653 HE22 GLN U 170 41.641 30.528 -17.563 1.00 0.00 H ATOM 1654 HE21 GLN U 170 43.203 30.937 -16.764 1.00 0.00 H ATOM 1655 H GLN U 170 38.451 32.937 -13.834 1.00 0.00 H ATOM 1656 N PRO U 170A 36.948 33.626 -17.987 1.00 76.25 N ATOM 1657 CA PRO U 170A 36.156 32.811 -18.919 1.00 76.39 C ATOM 1658 C PRO U 170A 36.822 31.549 -19.442 1.00 75.36 C ATOM 1659 O PRO U 170A 36.096 30.688 -19.898 1.00 72.99 O ATOM 1660 CB PRO U 170A 35.851 33.756 -20.090 1.00 76.35 C ATOM 1661 CG PRO U 170A 36.708 34.935 -19.947 1.00 76.25 C ATOM 1662 CD PRO U 170A 36.785 35.089 -18.478 1.00 76.45 C ATOM 1663 N HIS U 170B 38.142 31.460 -19.382 1.00 61.93 N ATOM 1664 CA HIS U 170B 38.895 30.314 -19.848 1.00 61.82 C ATOM 1665 C HIS U 170B 38.337 29.147 -19.054 1.00 60.19 C ATOM 1666 O HIS U 170B 38.215 28.051 -19.581 1.00 61.76 O ATOM 1667 CB HIS U 170B 40.386 30.527 -19.494 1.00 63.11 C ATOM 1668 CG HIS U 170B 41.379 29.716 -20.297 1.00 64.80 C ATOM 1669 ND1 HIS U 170B 42.729 29.725 -20.013 1.00 65.00 N ATOM 1670 CD2 HIS U 170B 41.234 28.900 -21.369 1.00 65.85 C ATOM 1671 CE1 HIS U 170B 43.367 28.934 -20.854 1.00 65.19 C ATOM 1672 NE2 HIS U 170B 42.485 28.426 -21.692 1.00 65.84 N ATOM 1673 H HIS U 170B 38.669 32.260 -18.977 1.00 0.00 H ATOM 1674 N TYR U 171 38.012 29.407 -17.791 1.00 55.13 N ATOM 1675 CA TYR U 171 37.422 28.466 -16.849 1.00 53.12 C ATOM 1676 C TYR U 171 35.894 28.564 -16.808 1.00 49.30 C ATOM 1677 O TYR U 171 35.249 28.151 -17.737 1.00 49.03 O ATOM 1678 CB TYR U 171 37.996 28.690 -15.452 1.00 52.04 C ATOM 1679 CG TYR U 171 39.387 28.218 -15.243 1.00 53.11 C ATOM 1680 CD1 TYR U 171 40.305 28.242 -16.247 1.00 53.79 C ATOM 1681 CD2 TYR U 171 39.779 27.776 -14.019 1.00 53.78 C ATOM 1682 CE1 TYR U 171 41.589 27.816 -16.026 1.00 54.98 C ATOM 1683 CE2 TYR U 171 41.048 27.347 -13.788 1.00 54.71 C ATOM 1684 CZ TYR U 171 41.938 27.375 -14.801 1.00 54.01 C ATOM 1685 OH TYR U 171 43.170 26.942 -14.557 1.00 56.88 O ATOM 1686 HH TYR U 171 43.576 27.491 -13.840 1.00 0.00 H ATOM 1687 H TYR U 171 38.196 30.370 -17.444 1.00 0.00 H ATOM 1688 N TYR U 172 35.322 29.085 -15.736 1.00 45.70 N ATOM 1689 CA TYR U 172 33.873 29.177 -15.606 1.00 44.99 C ATOM 1690 C TYR U 172 33.285 30.573 -15.674 1.00 46.01 C ATOM 1691 O TYR U 172 32.101 30.725 -15.553 1.00 45.07 O ATOM 1692 CB TYR U 172 33.416 28.546 -14.287 1.00 43.65 C ATOM 1693 CG TYR U 172 33.600 27.061 -14.247 1.00 41.23 C ATOM 1694 CD1 TYR U 172 33.084 26.270 -15.237 1.00 42.11 C ATOM 1695 CD2 TYR U 172 34.307 26.453 -13.243 1.00 40.84 C ATOM 1696 CE1 TYR U 172 33.248 24.917 -15.222 1.00 39.41 C ATOM 1697 CE2 TYR U 172 34.469 25.092 -13.224 1.00 38.60 C ATOM 1698 CZ TYR U 172 33.934 24.342 -14.230 1.00 37.42 C ATOM 1699 OH TYR U 172 34.077 23.010 -14.242 1.00 35.38 O ATOM 1700 HH TYR U 172 33.669 22.628 -13.425 1.00 0.00 H ATOM 1701 H TYR U 172 35.922 29.439 -14.964 1.00 0.00 H ATOM 1702 N GLY U 173 34.122 31.584 -15.817 1.00 49.77 N ATOM 1703 CA GLY U 173 33.632 32.944 -15.904 1.00 51.52 C ATOM 1704 C GLY U 173 32.803 33.364 -14.730 1.00 52.14 C ATOM 1705 O GLY U 173 33.190 33.170 -13.610 1.00 55.50 O ATOM 1706 H GLY U 173 35.145 31.402 -15.868 1.00 0.00 H ATOM 1707 N SER U 174 31.644 33.933 -15.003 1.00 54.72 N ATOM 1708 CA SER U 174 30.765 34.456 -13.959 1.00 55.26 C ATOM 1709 C SER U 174 29.942 33.400 -13.207 1.00 56.58 C ATOM 1710 O SER U 174 29.279 33.718 -12.215 1.00 54.63 O ATOM 1711 CB SER U 174 29.829 35.494 -14.579 1.00 56.30 C ATOM 1712 OG SER U 174 29.494 35.167 -15.924 1.00 55.31 O ATOM 1713 HG SER U 174 28.889 35.860 -16.290 1.00 0.00 H ATOM 1714 H SER U 174 31.346 34.012 -15.996 1.00 0.00 H ATOM 1715 N GLU U 175 29.984 32.149 -13.661 1.00 56.42 N ATOM 1716 CA GLU U 175 29.182 31.091 -13.036 1.00 56.00 C ATOM 1717 C GLU U 175 29.639 30.780 -11.611 1.00 54.00 C ATOM 1718 O GLU U 175 28.848 30.324 -10.786 1.00 53.90 O ATOM 1719 CB GLU U 175 29.200 29.820 -13.889 1.00 56.14 C ATOM 1720 CG GLU U 175 28.060 28.862 -13.585 1.00 59.23 C ATOM 1721 CD GLU U 175 26.690 29.512 -13.708 1.00 60.44 C ATOM 1722 OE1 GLU U 175 26.422 30.179 -14.731 1.00 62.79 O ATOM 1723 OE2 GLU U 175 25.880 29.359 -12.774 1.00 63.77 O ATOM 1724 H GLU U 175 30.594 31.918 -14.471 1.00 0.00 H ATOM 1725 N VAL U 176 30.910 31.046 -11.328 1.00 52.52 N ATOM 1726 CA VAL U 176 31.454 30.882 -9.984 1.00 52.41 C ATOM 1727 C VAL U 176 31.196 32.113 -9.133 1.00 53.20 C ATOM 1728 O VAL U 176 31.688 33.200 -9.430 1.00 54.37 O ATOM 1729 CB VAL U 176 32.974 30.578 -9.960 1.00 52.50 C ATOM 1730 CG1 VAL U 176 33.214 29.104 -9.703 1.00 52.44 C ATOM 1731 CG2 VAL U 176 33.676 31.013 -11.241 1.00 52.57 C ATOM 1732 H VAL U 176 31.536 31.381 -12.088 1.00 0.00 H ATOM 1733 N THR U 177 30.423 31.921 -8.070 1.00 52.05 N ATOM 1734 CA THR U 177 30.152 32.969 -7.097 1.00 52.51 C ATOM 1735 C THR U 177 31.106 32.816 -5.921 1.00 52.64 C ATOM 1736 O THR U 177 31.929 31.897 -5.894 1.00 52.22 O ATOM 1737 CB THR U 177 28.707 32.879 -6.576 1.00 52.88 C ATOM 1738 OG1 THR U 177 28.549 31.689 -5.789 1.00 52.01 O ATOM 1739 CG2 THR U 177 27.730 32.864 -7.730 1.00 53.90 C ATOM 1740 HG1 THR U 177 27.618 31.636 -5.456 1.00 0.00 H ATOM 1741 H THR U 177 29.994 30.984 -7.927 1.00 0.00 H ATOM 1742 N THR U 178 30.989 33.718 -4.950 1.00 51.32 N ATOM 1743 CA THR U 178 31.840 33.705 -3.762 1.00 49.28 C ATOM 1744 C THR U 178 31.399 32.662 -2.736 1.00 47.00 C ATOM 1745 O THR U 178 32.152 32.342 -1.820 1.00 48.60 O ATOM 1746 CB THR U 178 31.886 35.102 -3.107 1.00 49.83 C ATOM 1747 OG1 THR U 178 30.553 35.563 -2.859 1.00 49.11 O ATOM 1748 CG2 THR U 178 32.587 36.091 -4.024 1.00 50.85 C ATOM 1749 HG1 THR U 178 30.588 36.459 -2.439 1.00 0.00 H ATOM 1750 H THR U 178 30.265 34.460 -5.040 1.00 0.00 H ATOM 1751 N LYS U 179 30.193 32.121 -2.895 1.00 45.86 N ATOM 1752 CA LYS U 179 29.726 31.026 -2.048 1.00 43.49 C ATOM 1753 C LYS U 179 30.173 29.652 -2.591 1.00 40.12 C ATOM 1754 O LYS U 179 29.800 28.618 -2.037 1.00 38.00 O ATOM 1755 CB LYS U 179 28.201 31.079 -1.896 1.00 44.81 C ATOM 1756 CG LYS U 179 27.677 32.427 -1.398 1.00 46.31 C ATOM 1757 CD LYS U 179 26.165 32.560 -1.529 1.00 46.92 C ATOM 1758 CE LYS U 179 25.448 32.289 -0.218 1.00 47.61 C ATOM 1759 NZ LYS U 179 23.970 32.430 -0.354 1.00 48.09 N ATOM 1760 HZ1 LYS U 179 23.742 33.398 -0.657 1.00 0.00 H ATOM 1761 HZ2 LYS U 179 23.622 31.753 -1.063 1.00 0.00 H ATOM 1762 HZ3 LYS U 179 23.519 32.237 0.563 1.00 0.00 H ATOM 1763 H LYS U 179 29.568 32.487 -3.641 1.00 0.00 H ATOM 1764 N MET U 180 30.954 29.653 -3.672 1.00 36.32 N ATOM 1765 CA MET U 180 31.529 28.430 -4.245 1.00 35.81 C ATOM 1766 C MET U 180 33.051 28.409 -4.082 1.00 36.56 C ATOM 1767 O MET U 180 33.684 29.454 -3.912 1.00 37.74 O ATOM 1768 CB MET U 180 31.174 28.338 -5.732 1.00 33.83 C ATOM 1769 CG MET U 180 29.682 28.407 -6.034 1.00 33.11 C ATOM 1770 SD MET U 180 29.288 28.473 -7.795 1.00 36.48 S ATOM 1771 CE MET U 180 27.526 28.787 -7.689 1.00 36.74 C ATOM 1772 H MET U 180 31.165 30.562 -4.130 1.00 0.00 H ATOM 1773 N LEU U 181 33.633 27.216 -4.131 1.00 35.41 N ATOM 1774 CA LEU U 181 35.088 27.034 -4.110 1.00 36.27 C ATOM 1775 C LEU U 181 35.441 26.086 -5.239 1.00 36.49 C ATOM 1776 O LEU U 181 34.767 25.071 -5.410 1.00 35.46 O ATOM 1777 CB LEU U 181 35.544 26.390 -2.799 1.00 38.16 C ATOM 1778 CG LEU U 181 35.577 27.222 -1.522 1.00 41.12 C ATOM 1779 CD1 LEU U 181 36.041 26.362 -0.353 1.00 41.74 C ATOM 1780 CD2 LEU U 181 36.478 28.443 -1.668 1.00 42.52 C ATOM 1781 H LEU U 181 33.029 26.372 -4.187 1.00 0.00 H ATOM 1782 N CYS U 182 36.490 26.405 -5.991 1.00 36.39 N ATOM 1783 CA CYS U 182 36.988 25.523 -7.039 1.00 38.00 C ATOM 1784 C CYS U 182 38.225 24.779 -6.565 1.00 36.53 C ATOM 1785 O CYS U 182 38.975 25.258 -5.710 1.00 35.81 O ATOM 1786 CB CYS U 182 37.330 26.311 -8.303 1.00 39.92 C ATOM 1787 SG CYS U 182 35.941 27.193 -9.050 1.00 42.46 S ATOM 1788 H CYS U 182 36.970 27.313 -5.826 1.00 0.00 H ATOM 1789 N ALA U 183 38.439 23.600 -7.133 1.00 33.21 N ATOM 1790 CA ALA U 183 39.609 22.806 -6.816 1.00 33.42 C ATOM 1791 C ALA U 183 39.843 21.810 -7.924 1.00 32.05 C ATOM 1792 O ALA U 183 38.895 21.351 -8.551 1.00 30.86 O ATOM 1793 CB ALA U 183 39.427 22.084 -5.500 1.00 32.40 C ATOM 1794 H ALA U 183 37.751 23.236 -7.823 1.00 0.00 H ATOM 1795 N ALA U 184 41.096 21.526 -8.202 1.00 32.07 N ATOM 1796 CA ALA U 184 41.441 20.679 -9.316 1.00 33.34 C ATOM 1797 C ALA U 184 42.829 20.084 -9.221 1.00 34.89 C ATOM 1798 O ALA U 184 43.589 20.462 -8.385 1.00 36.10 O ATOM 1799 CB ALA U 184 41.265 21.426 -10.596 1.00 32.85 C ATOM 1800 H ALA U 184 41.853 21.920 -7.607 1.00 0.00 H ATOM 1801 N ASP U 185 43.113 19.119 -10.068 1.00 34.51 N ATOM 1802 CA ASP U 185 44.451 18.601 -10.218 1.00 34.24 C ATOM 1803 C ASP U 185 45.249 19.473 -11.142 1.00 33.51 C ATOM 1804 O ASP U 185 44.798 19.841 -12.198 1.00 36.21 O ATOM 1805 CB ASP U 185 44.454 17.169 -10.747 1.00 32.32 C ATOM 1806 CG ASP U 185 45.835 16.585 -10.839 1.00 34.01 C ATOM 1807 OD1 ASP U 185 46.369 16.097 -9.855 1.00 35.77 O ATOM 1808 OD2 ASP U 185 46.390 16.585 -11.917 1.00 36.68 O ATOM 1809 H ASP U 185 42.349 18.717 -10.648 1.00 0.00 H ATOM 1810 N PRO U 185A 46.556 19.732 -10.688 1.00 48.35 N ATOM 1811 CA PRO U 185A 47.347 20.572 -11.589 1.00 49.63 C ATOM 1812 C PRO U 185A 47.512 19.988 -12.986 1.00 51.12 C ATOM 1813 O PRO U 185A 47.574 20.774 -13.918 1.00 48.98 O ATOM 1814 CB PRO U 185A 48.690 20.687 -10.899 1.00 49.02 C ATOM 1815 CG PRO U 185A 48.360 20.625 -9.477 1.00 49.90 C ATOM 1816 CD PRO U 185A 47.442 19.487 -9.449 1.00 49.08 C ATOM 1817 N GLN U 185B 47.617 18.668 -13.123 1.00 45.17 N ATOM 1818 CA GLN U 185B 47.540 18.046 -14.447 1.00 44.78 C ATOM 1819 C GLN U 185B 46.117 17.767 -14.891 1.00 44.57 C ATOM 1820 O GLN U 185B 45.905 17.249 -15.963 1.00 44.19 O ATOM 1821 CB GLN U 185B 48.347 16.757 -14.522 1.00 44.55 C ATOM 1822 CG GLN U 185B 49.848 16.939 -14.371 1.00 44.92 C ATOM 1823 CD GLN U 185B 50.621 16.695 -15.636 1.00 44.93 C ATOM 1824 OE1 GLN U 185B 50.158 16.030 -16.538 1.00 41.34 O ATOM 1825 NE2 GLN U 185B 51.810 17.229 -15.685 1.00 43.41 N ATOM 1826 HE22 GLN U 185B 52.161 17.791 -14.884 1.00 0.00 H ATOM 1827 HE21 GLN U 185B 52.407 17.092 -16.525 1.00 0.00 H ATOM 1828 H GLN U 185B 47.755 18.072 -12.282 1.00 0.00 H ATOM 1829 N TRP U 186 45.146 18.073 -14.051 1.00 42.69 N ATOM 1830 CA TRP U 186 43.758 17.809 -14.367 1.00 41.51 C ATOM 1831 C TRP U 186 43.510 16.311 -14.518 1.00 38.52 C ATOM 1832 O TRP U 186 42.619 15.905 -15.205 1.00 40.16 O ATOM 1833 CB TRP U 186 43.324 18.486 -15.665 1.00 42.29 C ATOM 1834 CG TRP U 186 43.601 19.941 -15.792 1.00 43.42 C ATOM 1835 CD1 TRP U 186 44.584 20.512 -16.510 1.00 43.94 C ATOM 1836 CD2 TRP U 186 42.853 21.011 -15.219 1.00 40.96 C ATOM 1837 NE1 TRP U 186 44.507 21.865 -16.426 1.00 44.56 N ATOM 1838 CE2 TRP U 186 43.446 22.196 -15.633 1.00 43.11 C ATOM 1839 CE3 TRP U 186 41.746 21.077 -14.389 1.00 41.03 C ATOM 1840 CZ2 TRP U 186 42.980 23.421 -15.242 1.00 41.99 C ATOM 1841 CZ3 TRP U 186 41.290 22.288 -14.015 1.00 40.45 C ATOM 1842 CH2 TRP U 186 41.899 23.443 -14.432 1.00 42.44 C ATOM 1843 HE1 TRP U 186 45.150 22.538 -16.889 1.00 0.00 H ATOM 1844 H TRP U 186 45.384 18.515 -13.140 1.00 0.00 H ATOM 1845 N LYS U 187 44.320 15.508 -13.876 1.00 37.20 N ATOM 1846 CA LYS U 187 44.241 14.079 -14.028 1.00 36.18 C ATOM 1847 C LYS U 187 43.324 13.350 -13.009 1.00 34.37 C ATOM 1848 O LYS U 187 43.068 12.183 -13.151 1.00 32.68 O ATOM 1849 CB LYS U 187 45.655 13.502 -13.968 1.00 37.35 C ATOM 1850 CG LYS U 187 46.130 13.183 -12.560 1.00 39.95 C ATOM 1851 CD LYS U 187 47.582 13.455 -12.324 1.00 41.79 C ATOM 1852 CE LYS U 187 47.984 13.081 -10.918 1.00 40.79 C ATOM 1853 NZ LYS U 187 47.853 11.623 -10.739 1.00 42.12 N ATOM 1854 HZ1 LYS U 187 46.865 11.342 -10.904 1.00 0.00 H ATOM 1855 HZ2 LYS U 187 48.471 11.135 -11.418 1.00 0.00 H ATOM 1856 HZ3 LYS U 187 48.130 11.368 -9.770 1.00 0.00 H ATOM 1857 H LYS U 187 45.038 15.912 -13.241 1.00 0.00 H ATOM 1858 N THR U 188 42.913 14.040 -11.962 1.00 32.46 N ATOM 1859 CA THR U 188 42.126 13.438 -10.920 1.00 30.98 C ATOM 1860 C THR U 188 41.004 14.397 -10.517 1.00 30.00 C ATOM 1861 O THR U 188 41.176 15.566 -10.589 1.00 30.71 O ATOM 1862 CB THR U 188 43.008 13.023 -9.730 1.00 31.97 C ATOM 1863 OG1 THR U 188 42.270 12.183 -8.861 1.00 32.95 O ATOM 1864 CG2 THR U 188 43.504 14.201 -8.985 1.00 31.38 C ATOM 1865 HG1 THR U 188 42.841 11.918 -8.097 1.00 0.00 H ATOM 1866 H THR U 188 43.165 15.046 -11.888 1.00 0.00 H ATOM 1867 N ASP U 189 39.848 13.881 -10.126 1.00 29.30 N ATOM 1868 CA ASP U 189 38.705 14.758 -9.876 1.00 30.04 C ATOM 1869 C ASP U 189 37.514 14.027 -9.245 1.00 28.16 C ATOM 1870 O ASP U 189 37.456 12.798 -9.212 1.00 25.86 O ATOM 1871 CB ASP U 189 38.243 15.394 -11.207 1.00 30.38 C ATOM 1872 CG ASP U 189 37.475 16.705 -11.026 1.00 30.59 C ATOM 1873 OD1 ASP U 189 37.282 17.163 -9.876 1.00 32.47 O ATOM 1874 OD2 ASP U 189 37.058 17.281 -12.058 1.00 32.88 O ATOM 1875 H ASP U 189 39.754 12.853 -9.997 1.00 0.00 H ATOM 1876 N SER U 190 36.540 14.806 -8.792 1.00 26.83 N ATOM 1877 CA SER U 190 35.226 14.268 -8.495 1.00 28.41 C ATOM 1878 C SER U 190 34.474 14.078 -9.813 1.00 29.15 C ATOM 1879 O SER U 190 34.811 14.704 -10.825 1.00 29.56 O ATOM 1880 CB SER U 190 34.449 15.167 -7.526 1.00 29.42 C ATOM 1881 OG SER U 190 34.478 16.534 -7.911 1.00 30.72 O ATOM 1882 HG SER U 190 35.416 16.849 -7.935 1.00 0.00 H ATOM 1883 H SER U 190 36.722 15.820 -8.647 1.00 0.00 H ATOM 1884 N CYS U 191 33.484 13.197 -9.807 1.00 27.69 N ATOM 1885 CA CYS U 191 32.668 12.971 -10.997 1.00 29.21 C ATOM 1886 C CYS U 191 31.241 12.620 -10.618 1.00 28.82 C ATOM 1887 O CYS U 191 30.850 12.715 -9.437 1.00 25.61 O ATOM 1888 CB CYS U 191 33.309 11.899 -11.890 1.00 31.03 C ATOM 1889 SG CYS U 191 32.757 11.919 -13.630 1.00 33.84 S ATOM 1890 H CYS U 191 33.285 12.658 -8.940 1.00 0.00 H ATOM 1891 N GLN U 192 30.448 12.234 -11.623 1.00 26.76 N ATOM 1892 CA GLN U 192 29.064 11.872 -11.401 1.00 28.76 C ATOM 1893 C GLN U 192 28.916 10.865 -10.259 1.00 26.01 C ATOM 1894 O GLN U 192 29.586 9.842 -10.239 1.00 25.70 O ATOM 1895 CB GLN U 192 28.438 11.311 -12.683 1.00 30.90 C ATOM 1896 CG GLN U 192 26.932 11.276 -12.655 1.00 35.01 C ATOM 1897 CD GLN U 192 26.320 10.942 -14.001 1.00 38.27 C ATOM 1898 OE1 GLN U 192 27.020 10.586 -14.952 1.00 42.58 O ATOM 1899 NE2 GLN U 192 25.007 11.048 -14.082 1.00 40.53 N ATOM 1900 HE22 GLN U 192 24.458 11.352 -13.253 1.00 0.00 H ATOM 1901 HE21 GLN U 192 24.522 10.827 -14.975 1.00 0.00 H ATOM 1902 H GLN U 192 30.835 12.193 -12.588 1.00 0.00 H ATOM 1903 N GLY U 193 28.019 11.173 -9.331 1.00 23.09 N ATOM 1904 CA GLY U 193 27.794 10.350 -8.140 1.00 22.86 C ATOM 1905 C GLY U 193 28.684 10.662 -6.938 1.00 22.55 C ATOM 1906 O GLY U 193 28.506 10.053 -5.871 1.00 24.85 O ATOM 1907 H GLY U 193 27.451 12.036 -9.454 1.00 0.00 H ATOM 1908 N ASP U 194 29.605 11.605 -7.079 1.00 22.17 N ATOM 1909 CA ASP U 194 30.348 12.144 -5.917 1.00 22.98 C ATOM 1910 C ASP U 194 29.622 13.327 -5.251 1.00 22.85 C ATOM 1911 O ASP U 194 30.054 13.810 -4.225 1.00 24.39 O ATOM 1912 CB ASP U 194 31.769 12.545 -6.315 1.00 22.94 C ATOM 1913 CG ASP U 194 32.642 11.355 -6.641 1.00 24.05 C ATOM 1914 OD1 ASP U 194 32.551 10.335 -5.947 1.00 21.19 O ATOM 1915 OD2 ASP U 194 33.422 11.408 -7.623 1.00 26.21 O ATOM 1916 H ASP U 194 29.811 11.975 -8.029 1.00 0.00 H ATOM 1917 N SER U 195 28.560 13.832 -5.880 1.00 23.51 N ATOM 1918 CA SER U 195 27.780 14.960 -5.373 1.00 23.28 C ATOM 1919 C SER U 195 27.387 14.799 -3.930 1.00 22.99 C ATOM 1920 O SER U 195 27.061 13.712 -3.517 1.00 22.80 O ATOM 1921 CB SER U 195 26.498 15.103 -6.191 1.00 26.54 C ATOM 1922 OG SER U 195 26.849 15.754 -7.393 1.00 28.52 O ATOM 1923 HG SER U 195 26.041 15.866 -7.954 1.00 0.00 H ATOM 1924 H SER U 195 28.271 13.400 -6.781 1.00 0.00 H ATOM 1925 N GLY U 196 27.417 15.893 -3.193 1.00 23.33 N ATOM 1926 CA GLY U 196 26.986 15.888 -1.811 1.00 23.66 C ATOM 1927 C GLY U 196 28.081 15.469 -0.858 1.00 23.09 C ATOM 1928 O GLY U 196 27.947 15.688 0.355 1.00 21.74 O ATOM 1929 H GLY U 196 27.758 16.780 -3.615 1.00 0.00 H ATOM 1930 N GLY U 197 29.162 14.875 -1.384 1.00 22.42 N ATOM 1931 CA GLY U 197 30.281 14.392 -0.575 1.00 21.49 C ATOM 1932 C GLY U 197 31.273 15.458 -0.111 1.00 21.66 C ATOM 1933 O GLY U 197 31.217 16.619 -0.529 1.00 19.67 O ATOM 1934 H GLY U 197 29.207 14.752 -2.416 1.00 0.00 H ATOM 1935 N PRO U 198 32.200 15.068 0.788 1.00 23.99 N ATOM 1936 CA PRO U 198 33.047 16.046 1.445 1.00 24.11 C ATOM 1937 C PRO U 198 34.310 16.465 0.693 1.00 25.37 C ATOM 1938 O PRO U 198 34.977 15.629 0.085 1.00 24.57 O ATOM 1939 CB PRO U 198 33.458 15.327 2.749 1.00 24.47 C ATOM 1940 CG PRO U 198 33.435 13.880 2.407 1.00 24.82 C ATOM 1941 CD PRO U 198 32.303 13.733 1.405 1.00 24.05 C ATOM 1942 N LEU U 199 34.619 17.756 0.763 1.00 25.87 N ATOM 1943 CA LEU U 199 35.941 18.275 0.460 1.00 27.49 C ATOM 1944 C LEU U 199 36.561 18.614 1.825 1.00 29.55 C ATOM 1945 O LEU U 199 35.989 19.390 2.585 1.00 27.45 O ATOM 1946 CB LEU U 199 35.849 19.507 -0.436 1.00 29.31 C ATOM 1947 CG LEU U 199 37.130 20.305 -0.665 1.00 30.46 C ATOM 1948 CD1 LEU U 199 38.136 19.475 -1.446 1.00 31.71 C ATOM 1949 CD2 LEU U 199 36.850 21.635 -1.358 1.00 32.07 C ATOM 1950 H LEU U 199 33.878 18.427 1.049 1.00 0.00 H ATOM 1951 N VAL U 200 37.685 17.981 2.148 1.00 31.85 N ATOM 1952 CA VAL U 200 38.249 18.046 3.502 1.00 34.04 C ATOM 1953 C VAL U 200 39.650 18.631 3.420 1.00 36.11 C ATOM 1954 O VAL U 200 40.499 18.148 2.671 1.00 32.61 O ATOM 1955 CB VAL U 200 38.247 16.659 4.196 1.00 35.73 C ATOM 1956 CG1 VAL U 200 39.078 16.653 5.475 1.00 35.81 C ATOM 1957 CG2 VAL U 200 36.822 16.238 4.509 1.00 35.13 C ATOM 1958 H VAL U 200 38.178 17.424 1.421 1.00 0.00 H ATOM 1959 N CYS U 201 39.877 19.654 4.208 1.00 37.71 N ATOM 1960 CA CYS U 201 41.161 20.280 4.257 1.00 39.89 C ATOM 1961 C CYS U 201 41.571 20.318 5.696 1.00 44.49 C ATOM 1962 O CYS U 201 40.748 20.208 6.562 1.00 42.77 O ATOM 1963 CB CYS U 201 41.103 21.677 3.711 1.00 40.46 C ATOM 1964 SG CYS U 201 40.394 21.857 2.098 1.00 41.36 S ATOM 1965 H CYS U 201 39.109 20.017 4.808 1.00 0.00 H ATOM 1966 N SER U 202 42.859 20.416 5.944 1.00 47.81 N ATOM 1967 CA SER U 202 43.318 20.560 7.312 1.00 52.81 C ATOM 1968 C SER U 202 43.766 21.972 7.427 1.00 55.37 C ATOM 1969 O SER U 202 44.816 22.311 6.999 1.00 59.21 O ATOM 1970 CB SER U 202 44.442 19.584 7.572 1.00 53.77 C ATOM 1971 OG SER U 202 45.357 20.068 8.499 1.00 54.24 O ATOM 1972 HG SER U 202 45.753 20.910 8.161 1.00 0.00 H ATOM 1973 H SER U 202 43.545 20.390 5.163 1.00 0.00 H ATOM 1974 N LEU U 203 42.940 22.801 8.016 1.00 60.03 N ATOM 1975 CA LEU U 203 43.252 24.191 8.222 1.00 63.91 C ATOM 1976 C LEU U 203 43.627 24.226 9.681 1.00 66.28 C ATOM 1977 O LEU U 203 42.909 23.705 10.510 1.00 67.72 O ATOM 1978 CB LEU U 203 42.046 25.068 7.935 1.00 64.81 C ATOM 1979 CG LEU U 203 42.344 26.545 7.676 1.00 66.59 C ATOM 1980 CD1 LEU U 203 43.752 26.803 7.185 1.00 65.97 C ATOM 1981 CD2 LEU U 203 41.350 27.240 6.767 1.00 66.75 C ATOM 1982 H LEU U 203 42.023 22.441 8.348 1.00 0.00 H ATOM 1983 N GLN U 204 44.794 24.778 9.957 1.00 68.49 N ATOM 1984 CA GLN U 204 45.524 24.563 11.194 1.00 68.14 C ATOM 1985 C GLN U 204 45.821 23.090 11.415 1.00 66.84 C ATOM 1986 O GLN U 204 46.511 22.467 10.612 1.00 66.70 O ATOM 1987 CB GLN U 204 44.945 25.268 12.434 1.00 68.98 C ATOM 1988 CG GLN U 204 43.443 25.377 12.556 1.00 69.78 C ATOM 1989 CD GLN U 204 42.887 26.710 12.110 1.00 70.04 C ATOM 1990 OE1 GLN U 204 41.689 26.944 12.195 1.00 69.63 O ATOM 1991 NE2 GLN U 204 43.750 27.579 11.622 1.00 70.85 N ATOM 1992 HE22 GLN U 204 44.760 27.336 11.569 1.00 0.00 H ATOM 1993 HE21 GLN U 204 43.421 28.508 11.290 1.00 0.00 H ATOM 1994 H GLN U 204 45.217 25.406 9.244 1.00 0.00 H ATOM 1995 N GLY U 205 45.362 22.575 12.550 1.00 64.86 N ATOM 1996 CA GLY U 205 45.564 21.197 12.919 1.00 62.80 C ATOM 1997 C GLY U 205 44.382 20.275 12.796 1.00 60.53 C ATOM 1998 O GLY U 205 44.426 19.138 13.265 1.00 58.58 O ATOM 1999 H GLY U 205 44.835 23.192 13.200 1.00 0.00 H ATOM 2000 N ARG U 206 43.313 20.767 12.190 1.00 55.80 N ATOM 2001 CA ARG U 206 42.088 20.016 12.228 1.00 54.48 C ATOM 2002 C ARG U 206 41.617 19.625 10.850 1.00 48.81 C ATOM 2003 O ARG U 206 41.763 20.376 9.945 1.00 47.20 O ATOM 2004 CB ARG U 206 40.997 20.776 12.983 1.00 55.95 C ATOM 2005 CG ARG U 206 39.933 19.877 13.618 1.00 59.27 C ATOM 2006 CD ARG U 206 40.371 19.268 14.943 1.00 61.11 C ATOM 2007 NE ARG U 206 39.811 17.940 15.219 1.00 63.38 N ATOM 2008 CZ ARG U 206 40.513 16.895 15.663 1.00 64.22 C ATOM 2009 NH1 ARG U 206 41.814 17.006 15.856 1.00 63.97 N ATOM 2010 NH2 ARG U 206 39.913 15.734 15.898 1.00 64.36 N ATOM 2011 HE ARG U 206 38.793 17.803 15.057 1.00 0.00 H ATOM 2012 HH12 ARG U 206 42.360 16.191 16.202 1.00 0.00 H ATOM 2013 HH11 ARG U 206 42.293 17.908 15.662 1.00 0.00 H ATOM 2014 HH22 ARG U 206 40.466 14.924 16.244 1.00 0.00 H ATOM 2015 HH21 ARG U 206 38.890 15.635 15.736 1.00 0.00 H ATOM 2016 H ARG U 206 43.359 21.681 11.695 1.00 0.00 H ATOM 2017 N MET U 207 41.097 18.425 10.724 1.00 47.96 N ATOM 2018 CA MET U 207 40.467 17.989 9.489 1.00 47.72 C ATOM 2019 C MET U 207 39.108 18.612 9.522 1.00 44.36 C ATOM 2020 O MET U 207 38.385 18.418 10.439 1.00 45.80 O ATOM 2021 CB MET U 207 40.294 16.482 9.432 1.00 49.34 C ATOM 2022 CG MET U 207 41.555 15.686 9.259 1.00 51.25 C ATOM 2023 SD MET U 207 42.186 15.754 7.599 1.00 52.71 S ATOM 2024 CE MET U 207 41.620 14.220 6.993 1.00 53.67 C ATOM 2025 H MET U 207 41.137 17.769 11.530 1.00 0.00 H ATOM 2026 N THR U 208 38.779 19.320 8.474 1.00 40.61 N ATOM 2027 CA THR U 208 37.665 20.254 8.468 1.00 39.36 C ATOM 2028 C THR U 208 36.878 20.179 7.165 1.00 35.46 C ATOM 2029 O THR U 208 37.474 20.154 6.087 1.00 34.23 O ATOM 2030 CB THR U 208 38.216 21.680 8.636 1.00 41.75 C ATOM 2031 OG1 THR U 208 38.844 21.781 9.918 1.00 41.65 O ATOM 2032 CG2 THR U 208 37.130 22.739 8.504 1.00 41.93 C ATOM 2033 HG1 THR U 208 39.584 21.125 9.974 1.00 0.00 H ATOM 2034 H THR U 208 39.340 19.210 7.605 1.00 0.00 H ATOM 2035 N LEU U 209 35.552 20.166 7.271 1.00 33.65 N ATOM 2036 CA LEU U 209 34.684 20.123 6.072 1.00 32.39 C ATOM 2037 C LEU U 209 34.627 21.462 5.333 1.00 32.73 C ATOM 2038 O LEU U 209 33.790 22.317 5.636 1.00 37.80 O ATOM 2039 CB LEU U 209 33.276 19.660 6.433 1.00 31.45 C ATOM 2040 CG LEU U 209 32.387 19.448 5.194 1.00 30.53 C ATOM 2041 CD1 LEU U 209 32.702 18.087 4.599 1.00 28.83 C ATOM 2042 CD2 LEU U 209 30.914 19.549 5.516 1.00 31.08 C ATOM 2043 H LEU U 209 35.116 20.186 8.215 1.00 0.00 H ATOM 2044 N THR U 210 35.488 21.623 4.334 1.00 30.55 N ATOM 2045 CA THR U 210 35.662 22.896 3.630 1.00 31.47 C ATOM 2046 C THR U 210 34.664 23.079 2.466 1.00 32.10 C ATOM 2047 O THR U 210 34.229 24.201 2.164 1.00 30.60 O ATOM 2048 CB THR U 210 37.116 23.025 3.122 1.00 34.11 C ATOM 2049 OG1 THR U 210 37.993 23.227 4.235 1.00 37.30 O ATOM 2050 CG2 THR U 210 37.296 24.176 2.164 1.00 34.24 C ATOM 2051 HG1 THR U 210 38.924 23.310 3.909 1.00 0.00 H ATOM 2052 H THR U 210 36.064 20.809 4.039 1.00 0.00 H ATOM 2053 N GLY U 211 34.321 21.978 1.807 1.00 30.37 N ATOM 2054 CA GLY U 211 33.396 22.019 0.678 1.00 30.32 C ATOM 2055 C GLY U 211 32.504 20.804 0.560 1.00 27.75 C ATOM 2056 O GLY U 211 32.770 19.773 1.167 1.00 27.11 O ATOM 2057 H GLY U 211 34.721 21.065 2.102 1.00 0.00 H ATOM 2058 N ILE U 212 31.448 20.941 -0.249 1.00 26.75 N ATOM 2059 CA ILE U 212 30.518 19.871 -0.561 1.00 24.65 C ATOM 2060 C ILE U 212 30.468 19.784 -2.098 1.00 22.27 C ATOM 2061 O ILE U 212 30.212 20.790 -2.755 1.00 24.80 O ATOM 2062 CB ILE U 212 29.102 20.163 0.003 1.00 24.73 C ATOM 2063 CG1 ILE U 212 29.122 20.225 1.542 1.00 24.98 C ATOM 2064 CG2 ILE U 212 28.107 19.095 -0.425 1.00 23.23 C ATOM 2065 CD1 ILE U 212 27.907 20.912 2.130 1.00 25.88 C ATOM 2066 H ILE U 212 31.283 21.872 -0.682 1.00 0.00 H ATOM 2067 N VAL U 213 30.699 18.589 -2.644 1.00 21.92 N ATOM 2068 CA VAL U 213 30.749 18.375 -4.118 1.00 22.10 C ATOM 2069 C VAL U 213 29.421 18.838 -4.743 1.00 21.93 C ATOM 2070 O VAL U 213 28.342 18.353 -4.362 1.00 22.32 O ATOM 2071 CB VAL U 213 31.007 16.885 -4.491 1.00 22.02 C ATOM 2072 CG1 VAL U 213 31.077 16.714 -6.014 1.00 21.97 C ATOM 2073 CG2 VAL U 213 32.285 16.329 -3.859 1.00 22.68 C ATOM 2074 H VAL U 213 30.850 17.774 -2.016 1.00 0.00 H ATOM 2075 N SER U 214 29.492 19.745 -5.729 1.00 22.74 N ATOM 2076 CA SER U 214 28.309 20.422 -6.245 1.00 22.75 C ATOM 2077 C SER U 214 28.215 20.316 -7.778 1.00 24.51 C ATOM 2078 O SER U 214 27.246 19.772 -8.274 1.00 24.93 O ATOM 2079 CB SER U 214 28.300 21.890 -5.817 1.00 24.82 C ATOM 2080 OG SER U 214 27.086 22.520 -6.171 1.00 25.72 O ATOM 2081 HG SER U 214 26.333 22.057 -5.726 1.00 0.00 H ATOM 2082 H SER U 214 30.421 19.972 -6.138 1.00 0.00 H ATOM 2083 N TRP U 215 29.206 20.830 -8.500 1.00 25.81 N ATOM 2084 CA TRP U 215 29.174 20.759 -9.976 1.00 28.06 C ATOM 2085 C TRP U 215 30.515 20.897 -10.689 1.00 28.38 C ATOM 2086 O TRP U 215 31.546 21.135 -10.069 1.00 27.69 O ATOM 2087 CB TRP U 215 28.177 21.780 -10.533 1.00 29.63 C ATOM 2088 CG TRP U 215 28.538 23.196 -10.282 1.00 31.44 C ATOM 2089 CD1 TRP U 215 28.255 23.917 -9.159 1.00 30.62 C ATOM 2090 CD2 TRP U 215 29.234 24.092 -11.170 1.00 30.83 C ATOM 2091 NE1 TRP U 215 28.727 25.194 -9.289 1.00 31.92 N ATOM 2092 CE2 TRP U 215 29.331 25.330 -10.511 1.00 32.05 C ATOM 2093 CE3 TRP U 215 29.766 23.971 -12.464 1.00 32.83 C ATOM 2094 CZ2 TRP U 215 29.948 26.444 -11.087 1.00 32.64 C ATOM 2095 CZ3 TRP U 215 30.383 25.080 -13.034 1.00 31.21 C ATOM 2096 CH2 TRP U 215 30.471 26.299 -12.340 1.00 32.35 C ATOM 2097 HE1 TRP U 215 28.641 25.944 -8.573 1.00 0.00 H ATOM 2098 H TRP U 215 30.010 21.286 -8.023 1.00 0.00 H ATOM 2099 N GLY U 216 30.492 20.627 -11.985 1.00 29.72 N ATOM 2100 CA GLY U 216 31.589 20.908 -12.881 1.00 29.93 C ATOM 2101 C GLY U 216 31.348 20.444 -14.302 1.00 31.28 C ATOM 2102 O GLY U 216 30.564 19.579 -14.511 1.00 32.50 O ATOM 2103 H GLY U 216 29.636 20.188 -12.380 1.00 0.00 H ATOM 2104 N ARG U 217 32.094 20.957 -15.268 1.00 33.83 N ATOM 2105 CA ARG U 217 31.895 20.563 -16.656 1.00 36.83 C ATOM 2106 C ARG U 217 32.810 19.380 -16.907 1.00 35.47 C ATOM 2107 O ARG U 217 33.986 19.462 -16.671 1.00 35.73 O ATOM 2108 CB ARG U 217 32.224 21.724 -17.614 1.00 39.08 C ATOM 2109 CG ARG U 217 32.608 21.286 -19.022 1.00 43.15 C ATOM 2110 CD ARG U 217 32.955 22.412 -19.982 1.00 45.26 C ATOM 2111 NE ARG U 217 31.756 22.873 -20.632 1.00 49.65 N ATOM 2112 CZ ARG U 217 31.694 23.778 -21.596 1.00 52.40 C ATOM 2113 NH1 ARG U 217 30.510 24.123 -22.074 1.00 53.00 N ATOM 2114 NH2 ARG U 217 32.794 24.340 -22.055 1.00 52.56 N ATOM 2115 HE ARG U 217 30.857 22.457 -20.315 1.00 0.00 H ATOM 2116 HH12 ARG U 217 30.442 24.832 -22.831 1.00 0.00 H ATOM 2117 HH11 ARG U 217 29.647 23.685 -21.692 1.00 0.00 H ATOM 2118 HH22 ARG U 217 32.738 25.050 -22.813 1.00 0.00 H ATOM 2119 HH21 ARG U 217 33.718 24.073 -21.660 1.00 0.00 H ATOM 2120 H ARG U 217 32.832 21.651 -15.033 1.00 0.00 H ATOM 2121 N GLY U 219 32.246 18.270 -17.346 1.00 37.38 N ATOM 2122 CA GLY U 219 33.000 17.043 -17.474 1.00 36.16 C ATOM 2123 C GLY U 219 33.642 16.600 -16.167 1.00 34.73 C ATOM 2124 O GLY U 219 33.281 17.094 -15.145 1.00 36.01 O ATOM 2125 H GLY U 219 31.239 18.278 -17.605 1.00 0.00 H ATOM 2126 N CYS U 220 34.591 15.682 -16.225 1.00 35.05 N ATOM 2127 CA CYS U 220 35.336 15.307 -15.035 1.00 34.33 C ATOM 2128 C CYS U 220 36.805 15.213 -15.410 1.00 34.04 C ATOM 2129 O CYS U 220 37.140 14.672 -16.472 1.00 31.47 O ATOM 2130 CB CYS U 220 34.848 13.952 -14.526 1.00 35.03 C ATOM 2131 SG CYS U 220 33.070 13.853 -14.259 1.00 36.16 S ATOM 2132 H CYS U 220 34.807 15.223 -17.133 1.00 0.00 H ATOM 2133 N ALA U 221 37.674 15.758 -14.586 1.00 32.55 N ATOM 2134 CA ALA U 221 39.086 15.718 -14.851 1.00 33.04 C ATOM 2135 C ALA U 221 39.333 16.247 -16.253 1.00 38.13 C ATOM 2136 O ALA U 221 39.993 15.608 -17.061 1.00 38.45 O ATOM 2137 CB ALA U 221 39.626 14.323 -14.698 1.00 33.34 C ATOM 2138 H ALA U 221 37.332 16.228 -13.724 1.00 0.00 H ATOM 2139 N LEU U 222 38.751 17.416 -16.502 1.00 39.54 N ATOM 2140 CA LEU U 222 38.729 18.081 -17.794 1.00 41.51 C ATOM 2141 C LEU U 222 39.553 19.348 -17.755 1.00 41.62 C ATOM 2142 O LEU U 222 39.396 20.119 -16.871 1.00 41.51 O ATOM 2143 CB LEU U 222 37.302 18.412 -18.140 1.00 41.63 C ATOM 2144 CG LEU U 222 37.132 19.136 -19.436 1.00 43.28 C ATOM 2145 CD1 LEU U 222 37.792 18.322 -20.517 1.00 44.38 C ATOM 2146 CD2 LEU U 222 35.665 19.333 -19.730 1.00 44.12 C ATOM 2147 H LEU U 222 38.274 17.892 -15.710 1.00 0.00 H ATOM 2148 N LYS U 223 40.428 19.561 -18.732 1.00 42.80 N ATOM 2149 CA LYS U 223 41.342 20.691 -18.704 1.00 44.66 C ATOM 2150 C LYS U 223 40.558 21.981 -18.595 1.00 42.23 C ATOM 2151 O LYS U 223 39.629 22.163 -19.324 1.00 45.24 O ATOM 2152 CB LYS U 223 42.175 20.743 -19.990 1.00 46.40 C ATOM 2153 CG LYS U 223 42.843 22.088 -20.293 1.00 50.04 C ATOM 2154 CD LYS U 223 44.055 22.020 -21.220 1.00 52.29 C ATOM 2155 CE LYS U 223 45.136 23.031 -20.851 1.00 53.34 C ATOM 2156 NZ LYS U 223 45.695 23.744 -22.027 1.00 55.32 N ATOM 2157 HZ1 LYS U 223 46.119 23.054 -22.680 1.00 0.00 H ATOM 2158 HZ2 LYS U 223 44.934 24.260 -22.512 1.00 0.00 H ATOM 2159 HZ3 LYS U 223 46.423 24.415 -21.710 1.00 0.00 H ATOM 2160 H LYS U 223 40.460 18.903 -19.537 1.00 0.00 H ATOM 2161 N ASP U 223A 40.984 22.853 -17.676 1.00 40.58 N ATOM 2162 CA ASP U 223A 40.444 24.196 -17.465 1.00 42.88 C ATOM 2163 C ASP U 223A 39.019 24.209 -16.915 1.00 42.09 C ATOM 2164 O ASP U 223A 38.368 25.213 -16.925 1.00 41.08 O ATOM 2165 CB ASP U 223A 40.480 25.017 -18.743 1.00 44.62 C ATOM 2166 CG ASP U 223A 41.871 25.430 -19.145 1.00 45.72 C ATOM 2167 OD1 ASP U 223A 42.813 25.325 -18.359 1.00 45.63 O ATOM 2168 OD2 ASP U 223A 41.992 25.878 -20.281 1.00 50.70 O ATOM 2169 H ASP U 223A 41.765 22.551 -17.059 1.00 0.00 H ATOM 2170 N LYS U 224 38.562 23.071 -16.422 1.00 41.37 N ATOM 2171 CA LYS U 224 37.225 22.899 -15.914 1.00 41.12 C ATOM 2172 C LYS U 224 37.292 22.237 -14.548 1.00 39.05 C ATOM 2173 O LYS U 224 37.200 21.057 -14.407 1.00 38.35 O ATOM 2174 CB LYS U 224 36.413 22.055 -16.881 1.00 42.04 C ATOM 2175 CG LYS U 224 36.371 22.626 -18.281 1.00 43.42 C ATOM 2176 CD LYS U 224 36.126 24.126 -18.245 1.00 44.24 C ATOM 2177 CE LYS U 224 36.029 24.727 -19.632 1.00 44.21 C ATOM 2178 NZ LYS U 224 36.182 26.186 -19.612 1.00 45.25 N ATOM 2179 HZ1 LYS U 224 35.433 26.604 -19.024 1.00 0.00 H ATOM 2180 HZ2 LYS U 224 37.112 26.430 -19.216 1.00 0.00 H ATOM 2181 HZ3 LYS U 224 36.109 26.554 -20.582 1.00 0.00 H ATOM 2182 H LYS U 224 39.204 22.253 -16.400 1.00 0.00 H ATOM 2183 N PRO U 225 37.513 23.129 -13.499 1.00 36.99 N ATOM 2184 CA PRO U 225 37.688 22.501 -12.184 1.00 35.97 C ATOM 2185 C PRO U 225 36.424 21.954 -11.530 1.00 34.29 C ATOM 2186 O PRO U 225 35.392 22.215 -12.009 1.00 34.46 O ATOM 2187 CB PRO U 225 38.195 23.640 -11.315 1.00 36.47 C ATOM 2188 CG PRO U 225 38.676 24.689 -12.220 1.00 36.16 C ATOM 2189 CD PRO U 225 37.671 24.648 -13.272 1.00 36.81 C ATOM 2190 N GLY U 226 36.529 21.173 -10.473 1.00 32.73 N ATOM 2191 CA GLY U 226 35.345 20.806 -9.689 1.00 30.65 C ATOM 2192 C GLY U 226 34.908 22.014 -8.879 1.00 28.92 C ATOM 2193 O GLY U 226 35.754 22.795 -8.464 1.00 29.12 O ATOM 2194 H GLY U 226 37.463 20.813 -10.192 1.00 0.00 H ATOM 2195 N VAL U 227 33.606 22.170 -8.655 1.00 27.63 N ATOM 2196 CA VAL U 227 33.085 23.301 -7.881 1.00 28.73 C ATOM 2197 C VAL U 227 32.320 22.785 -6.671 1.00 29.26 C ATOM 2198 O VAL U 227 31.536 21.846 -6.773 1.00 27.46 O ATOM 2199 CB VAL U 227 32.188 24.224 -8.726 1.00 31.41 C ATOM 2200 CG1 VAL U 227 31.798 25.464 -7.923 1.00 32.22 C ATOM 2201 CG2 VAL U 227 32.907 24.613 -10.006 1.00 31.37 C ATOM 2202 H VAL U 227 32.939 21.470 -9.039 1.00 0.00 H ATOM 2203 N TYR U 228 32.564 23.428 -5.534 1.00 27.27 N ATOM 2204 CA TYR U 228 32.153 22.949 -4.231 1.00 26.71 C ATOM 2205 C TYR U 228 31.419 24.039 -3.464 1.00 27.11 C ATOM 2206 O TYR U 228 31.809 25.203 -3.531 1.00 28.07 O ATOM 2207 CB TYR U 228 33.397 22.531 -3.440 1.00 26.80 C ATOM 2208 CG TYR U 228 34.149 21.392 -4.101 1.00 26.32 C ATOM 2209 CD1 TYR U 228 35.039 21.627 -5.150 1.00 26.91 C ATOM 2210 CD2 TYR U 228 33.959 20.082 -3.684 1.00 26.70 C ATOM 2211 CE1 TYR U 228 35.716 20.585 -5.761 1.00 27.01 C ATOM 2212 CE2 TYR U 228 34.632 19.034 -4.288 1.00 27.57 C ATOM 2213 CZ TYR U 228 35.495 19.293 -5.337 1.00 26.85 C ATOM 2214 OH TYR U 228 36.150 18.241 -5.929 1.00 28.10 O ATOM 2215 HH TYR U 228 36.727 18.581 -6.658 1.00 0.00 H ATOM 2216 H TYR U 228 33.081 24.329 -5.583 1.00 0.00 H ATOM 2217 N THR U 229 30.365 23.661 -2.748 1.00 26.41 N ATOM 2218 CA THR U 229 29.656 24.593 -1.865 1.00 29.78 C ATOM 2219 C THR U 229 30.644 25.013 -0.775 1.00 30.48 C ATOM 2220 O THR U 229 31.247 24.166 -0.120 1.00 30.41 O ATOM 2221 CB THR U 229 28.396 23.949 -1.261 1.00 30.19 C ATOM 2222 OG1 THR U 229 27.468 23.642 -2.309 1.00 30.51 O ATOM 2223 CG2 THR U 229 27.722 24.876 -0.267 1.00 30.99 C ATOM 2224 HG1 THR U 229 26.658 23.228 -1.920 1.00 0.00 H ATOM 2225 H THR U 229 30.034 22.677 -2.816 1.00 0.00 H ATOM 2226 N ARG U 230 30.853 26.321 -0.636 1.00 32.60 N ATOM 2227 CA ARG U 230 31.860 26.850 0.274 1.00 35.47 C ATOM 2228 C ARG U 230 31.229 26.865 1.656 1.00 33.88 C ATOM 2229 O ARG U 230 30.488 27.789 1.981 1.00 34.19 O ATOM 2230 CB ARG U 230 32.265 28.255 -0.196 1.00 37.14 C ATOM 2231 CG ARG U 230 33.383 28.936 0.573 1.00 40.42 C ATOM 2232 CD ARG U 230 33.790 30.213 -0.145 1.00 42.98 C ATOM 2233 NE ARG U 230 34.766 30.997 0.603 1.00 48.01 N ATOM 2234 CZ ARG U 230 35.309 32.147 0.198 1.00 48.91 C ATOM 2235 NH1 ARG U 230 34.986 32.691 -0.970 1.00 49.67 N ATOM 2236 NH2 ARG U 230 36.182 32.764 0.987 1.00 51.83 N ATOM 2237 HE ARG U 230 35.064 30.629 1.529 1.00 0.00 H ATOM 2238 HH12 ARG U 230 35.422 33.588 -1.264 1.00 0.00 H ATOM 2239 HH11 ARG U 230 34.297 32.220 -1.590 1.00 0.00 H ATOM 2240 HH22 ARG U 230 36.613 33.661 0.684 1.00 0.00 H ATOM 2241 HH21 ARG U 230 36.434 32.350 1.907 1.00 0.00 H ATOM 2242 H ARG U 230 30.280 26.985 -1.194 1.00 0.00 H ATOM 2243 N VAL U 231 31.515 25.836 2.455 1.00 32.21 N ATOM 2244 CA VAL U 231 30.817 25.594 3.727 1.00 32.35 C ATOM 2245 C VAL U 231 30.985 26.743 4.736 1.00 34.84 C ATOM 2246 O VAL U 231 30.041 27.054 5.477 1.00 34.58 O ATOM 2247 CB VAL U 231 31.238 24.253 4.373 1.00 32.62 C ATOM 2248 CG1 VAL U 231 30.563 24.051 5.721 1.00 32.62 C ATOM 2249 CG2 VAL U 231 30.900 23.079 3.453 1.00 31.75 C ATOM 2250 H VAL U 231 32.265 25.176 2.166 1.00 0.00 H ATOM 2251 N SER U 232 32.156 27.378 4.740 1.00 34.53 N ATOM 2252 CA SER U 232 32.428 28.518 5.640 1.00 36.80 C ATOM 2253 C SER U 232 31.501 29.732 5.423 1.00 38.79 C ATOM 2254 O SER U 232 31.442 30.610 6.285 1.00 40.46 O ATOM 2255 CB SER U 232 33.884 28.979 5.514 1.00 35.75 C ATOM 2256 OG SER U 232 34.129 29.608 4.263 1.00 35.83 O ATOM 2257 HG SER U 232 35.076 29.892 4.217 1.00 0.00 H ATOM 2258 H SER U 232 32.903 27.061 4.089 1.00 0.00 H ATOM 2259 N HIS U 233 30.817 29.798 4.275 1.00 39.15 N ATOM 2260 CA HIS U 233 29.849 30.877 4.006 1.00 39.07 C ATOM 2261 C HIS U 233 28.419 30.515 4.431 1.00 36.41 C ATOM 2262 O HIS U 233 27.498 31.319 4.273 1.00 39.20 O ATOM 2263 CB HIS U 233 29.867 31.256 2.520 1.00 40.47 C ATOM 2264 CG HIS U 233 31.003 32.152 2.130 1.00 42.88 C ATOM 2265 ND1 HIS U 233 32.237 32.106 2.741 1.00 43.99 N ATOM 2266 CD2 HIS U 233 31.094 33.105 1.172 1.00 43.32 C ATOM 2267 CE1 HIS U 233 33.035 33.000 2.186 1.00 43.88 C ATOM 2268 NE2 HIS U 233 32.367 33.617 1.229 1.00 44.05 N ATOM 2269 H HIS U 233 30.973 29.067 3.552 1.00 0.00 H ATOM 2270 N PHE U 234 28.221 29.322 4.978 1.00 32.82 N ATOM 2271 CA PHE U 234 26.876 28.855 5.296 1.00 31.97 C ATOM 2272 C PHE U 234 26.677 28.508 6.756 1.00 31.44 C ATOM 2273 O PHE U 234 25.716 27.834 7.089 1.00 31.35 O ATOM 2274 CB PHE U 234 26.537 27.645 4.427 1.00 29.90 C ATOM 2275 CG PHE U 234 26.251 28.003 3.012 1.00 28.66 C ATOM 2276 CD1 PHE U 234 27.279 28.074 2.094 1.00 28.31 C ATOM 2277 CD2 PHE U 234 24.953 28.313 2.609 1.00 29.60 C ATOM 2278 CE1 PHE U 234 27.035 28.419 0.780 1.00 27.59 C ATOM 2279 CE2 PHE U 234 24.697 28.658 1.288 1.00 28.86 C ATOM 2280 CZ PHE U 234 25.743 28.717 0.382 1.00 30.44 C ATOM 2281 H PHE U 234 29.037 28.711 5.183 1.00 0.00 H ATOM 2282 N LEU U 235 27.573 28.966 7.632 1.00 35.14 N ATOM 2283 CA LEU U 235 27.525 28.546 9.035 1.00 34.43 C ATOM 2284 C LEU U 235 26.261 29.007 9.797 1.00 35.28 C ATOM 2285 O LEU U 235 25.707 28.236 10.591 1.00 36.40 O ATOM 2286 CB LEU U 235 28.789 28.968 9.786 1.00 35.34 C ATOM 2287 CG LEU U 235 30.130 28.305 9.427 1.00 34.91 C ATOM 2288 CD1 LEU U 235 31.192 28.700 10.445 1.00 36.65 C ATOM 2289 CD2 LEU U 235 30.023 26.787 9.369 1.00 36.24 C ATOM 2290 H LEU U 235 28.312 29.627 7.316 1.00 0.00 H ATOM 2291 N PRO U 236 25.799 30.248 9.556 1.00 36.96 N ATOM 2292 CA PRO U 236 24.545 30.673 10.199 1.00 38.67 C ATOM 2293 C PRO U 236 23.370 29.779 9.800 1.00 39.55 C ATOM 2294 O PRO U 236 22.578 29.373 10.651 1.00 38.78 O ATOM 2295 CB PRO U 236 24.350 32.105 9.682 1.00 37.84 C ATOM 2296 CG PRO U 236 25.706 32.559 9.271 1.00 38.22 C ATOM 2297 CD PRO U 236 26.392 31.328 8.749 1.00 36.74 C ATOM 2298 N TRP U 237 23.277 29.465 8.506 1.00 39.02 N ATOM 2299 CA TRP U 237 22.258 28.549 8.000 1.00 37.33 C ATOM 2300 C TRP U 237 22.357 27.184 8.681 1.00 36.99 C ATOM 2301 O TRP U 237 21.344 26.640 9.136 1.00 35.81 O ATOM 2302 CB TRP U 237 22.351 28.422 6.468 1.00 37.67 C ATOM 2303 CG TRP U 237 21.228 27.608 5.855 1.00 36.15 C ATOM 2304 CD1 TRP U 237 20.009 28.066 5.447 1.00 36.54 C ATOM 2305 CD2 TRP U 237 21.229 26.198 5.603 1.00 37.37 C ATOM 2306 NE1 TRP U 237 19.251 27.028 4.948 1.00 34.33 N ATOM 2307 CE2 TRP U 237 19.977 25.871 5.036 1.00 35.61 C ATOM 2308 CE3 TRP U 237 22.175 25.179 5.789 1.00 36.93 C ATOM 2309 CZ2 TRP U 237 19.645 24.570 4.664 1.00 37.24 C ATOM 2310 CZ3 TRP U 237 21.848 23.897 5.417 1.00 36.38 C ATOM 2311 CH2 TRP U 237 20.593 23.597 4.864 1.00 37.28 C ATOM 2312 HE1 TRP U 237 18.287 27.111 4.567 1.00 0.00 H ATOM 2313 H TRP U 237 23.952 29.886 7.836 1.00 0.00 H ATOM 2314 N ILE U 238 23.573 26.639 8.792 1.00 37.40 N ATOM 2315 CA ILE U 238 23.754 25.320 9.408 1.00 38.40 C ATOM 2316 C ILE U 238 23.373 25.291 10.897 1.00 39.88 C ATOM 2317 O ILE U 238 22.592 24.438 11.322 1.00 41.03 O ATOM 2318 CB ILE U 238 25.199 24.800 9.254 1.00 36.08 C ATOM 2319 CG1 ILE U 238 25.526 24.543 7.773 1.00 34.76 C ATOM 2320 CG2 ILE U 238 25.387 23.515 10.039 1.00 36.32 C ATOM 2321 CD1 ILE U 238 27.013 24.537 7.473 1.00 33.75 C ATOM 2322 H ILE U 238 24.402 27.157 8.437 1.00 0.00 H ATOM 2323 N ARG U 239 23.935 26.198 11.684 1.00 44.15 N ATOM 2324 CA ARG U 239 23.657 26.220 13.126 1.00 48.81 C ATOM 2325 C ARG U 239 22.181 26.523 13.413 1.00 48.64 C ATOM 2326 O ARG U 239 21.600 25.947 14.330 1.00 50.08 O ATOM 2327 CB ARG U 239 24.546 27.227 13.848 1.00 51.77 C ATOM 2328 CG ARG U 239 25.974 26.754 14.085 1.00 55.10 C ATOM 2329 CD ARG U 239 26.773 27.809 14.841 1.00 57.55 C ATOM 2330 NE ARG U 239 26.461 29.155 14.350 1.00 57.97 N ATOM 2331 CZ ARG U 239 27.258 29.928 13.611 1.00 56.87 C ATOM 2332 NH1 ARG U 239 28.490 29.549 13.266 1.00 57.33 N ATOM 2333 NH2 ARG U 239 26.817 31.120 13.229 1.00 53.91 N ATOM 2334 HE ARG U 239 25.530 29.544 14.602 1.00 0.00 H ATOM 2335 HH12 ARG U 239 29.085 30.177 12.689 1.00 0.00 H ATOM 2336 HH11 ARG U 239 28.856 28.626 13.575 1.00 0.00 H ATOM 2337 HH22 ARG U 239 27.423 31.738 12.652 1.00 0.00 H ATOM 2338 HH21 ARG U 239 25.866 31.436 13.506 1.00 0.00 H ATOM 2339 H ARG U 239 24.581 26.903 11.275 1.00 0.00 H ATOM 2340 N SER U 240 21.580 27.406 12.616 1.00 51.01 N ATOM 2341 CA SER U 240 20.166 27.740 12.775 1.00 51.90 C ATOM 2342 C SER U 240 19.306 26.491 12.644 1.00 50.67 C ATOM 2343 O SER U 240 18.533 26.181 13.543 1.00 49.02 O ATOM 2344 CB SER U 240 19.716 28.808 11.769 1.00 53.26 C ATOM 2345 OG SER U 240 19.721 28.307 10.440 1.00 55.63 O ATOM 2346 HG SER U 240 20.637 28.017 10.201 1.00 0.00 H ATOM 2347 H SER U 240 22.130 27.868 11.864 1.00 0.00 H ATOM 2348 N HIS U 241 19.474 25.752 11.547 1.00 46.94 N ATOM 2349 CA HIS U 241 18.660 24.562 11.293 1.00 46.01 C ATOM 2350 C HIS U 241 19.088 23.318 12.075 1.00 46.59 C ATOM 2351 O HIS U 241 18.406 22.293 12.010 1.00 46.03 O ATOM 2352 CB HIS U 241 18.632 24.241 9.796 1.00 46.61 C ATOM 2353 CG HIS U 241 17.804 25.195 8.996 1.00 44.22 C ATOM 2354 ND1 HIS U 241 18.298 26.387 8.516 1.00 43.08 N ATOM 2355 CD2 HIS U 241 16.509 25.136 8.603 1.00 43.23 C ATOM 2356 CE1 HIS U 241 17.346 27.019 7.850 1.00 42.99 C ATOM 2357 NE2 HIS U 241 16.252 26.279 7.885 1.00 44.51 N ATOM 2358 H HIS U 241 20.200 26.027 10.856 1.00 0.00 H ATOM 2359 N THR U 242 20.214 23.388 12.783 1.00 47.64 N ATOM 2360 CA THR U 242 20.662 22.266 13.618 1.00 50.18 C ATOM 2361 C THR U 242 20.312 22.448 15.096 1.00 56.04 C ATOM 2362 O THR U 242 20.192 21.454 15.816 1.00 57.34 O ATOM 2363 CB THR U 242 22.172 21.980 13.474 1.00 48.92 C ATOM 2364 OG1 THR U 242 22.896 23.210 13.407 1.00 48.15 O ATOM 2365 CG2 THR U 242 22.433 21.168 12.213 1.00 48.78 C ATOM 2366 HG1 THR U 242 22.586 23.732 12.625 1.00 0.00 H ATOM 2367 H THR U 242 20.788 24.255 12.744 1.00 0.00 H ATOM 2368 N LYS U 243 20.153 23.692 15.555 1.00 60.21 N ATOM 2369 CA LYS U 243 19.484 23.918 16.843 1.00 63.64 C ATOM 2370 C LYS U 243 18.016 23.560 16.633 1.00 67.02 C ATOM 2371 O LYS U 243 17.352 24.110 15.752 1.00 71.58 O ATOM 2372 CB LYS U 243 19.685 25.344 17.404 1.00 64.28 C ATOM 2373 CG LYS U 243 19.156 26.531 16.595 1.00 64.76 C ATOM 2374 CD LYS U 243 17.643 26.788 16.635 1.00 65.79 C ATOM 2375 CE LYS U 243 17.007 26.688 18.017 1.00 65.80 C ATOM 2376 NZ LYS U 243 15.519 26.684 17.939 1.00 64.62 N ATOM 2377 HZ1 LYS U 243 15.194 27.565 17.491 1.00 0.00 H ATOM 2378 HZ2 LYS U 243 15.205 25.870 17.373 1.00 0.00 H ATOM 2379 HZ3 LYS U 243 15.123 26.615 18.898 1.00 0.00 H ATOM 2380 H LYS U 243 20.502 24.500 15.001 1.00 0.00 H ATOM 2381 N GLU U 244 17.531 22.590 17.399 1.00 68.50 N ATOM 2382 CA GLU U 244 16.203 22.039 17.174 1.00 69.16 C ATOM 2383 C GLU U 244 15.335 22.192 18.409 1.00 69.26 C ATOM 2384 O GLU U 244 14.372 22.954 18.385 1.00 68.12 O ATOM 2385 CB GLU U 244 16.308 20.574 16.751 1.00 68.88 C ATOM 2386 CG GLU U 244 16.838 20.396 15.340 1.00 68.20 C ATOM 2387 CD GLU U 244 15.822 20.773 14.277 1.00 68.30 C ATOM 2388 OE1 GLU U 244 14.852 20.010 14.086 1.00 67.78 O ATOM 2389 OE2 GLU U 244 15.995 21.824 13.625 1.00 70.86 O ATOM 2390 H GLU U 244 18.112 22.216 18.176 1.00 0.00 H TER 2391 GLU U 244 HETATM 2392 O HOH 1 25.194 12.180 -7.380 1.00 30.00 O HETATM 2393 O HOH 2 27.952 -1.969 -6.817 1.00 49.51 O HETATM 2394 O HOH 3 33.183 3.812 -12.593 1.00 27.05 O HETATM 2395 O HOH 4 40.537 -4.614 13.538 1.00 34.78 O HETATM 2396 O HOH 5 37.588 -1.094 11.214 1.00 38.68 O HETATM 2397 O HOH 6 20.193 30.294 -10.685 1.00 42.19 O HETATM 2398 O HOH 7 39.669 6.299 -12.091 1.00 29.09 O HETATM 2399 O HOH 8 43.418 9.501 -13.487 1.00 43.71 O HETATM 2400 O HOH 9 34.157 1.341 -11.434 1.00 30.94 O HETATM 2401 O HOH 10 34.618 14.441 -18.813 1.00 38.77 O HETATM 2402 O HOH 11 31.301 -1.307 -10.866 1.00 43.89 O HETATM 2403 O HOH 12 29.942 0.915 13.907 1.00 38.39 O HETATM 2404 O HOH 13 28.205 -0.855 -9.194 1.00 45.40 O HETATM 2405 O HOH 14 17.866 4.425 26.344 1.00 57.27 O HETATM 2406 O HOH 15 28.439 1.949 15.667 1.00 42.81 O HETATM 2407 O HOH 16 16.064 27.911 -13.021 1.00 49.86 O HETATM 2408 O HOH 17 37.064 1.602 -19.704 1.00 32.23 O HETATM 2409 O HOH 18 26.935 0.866 -10.691 1.00 47.85 O HETATM 2410 O HOH 19 32.486 -6.045 5.700 1.00 45.47 O HETATM 2411 O HOH 20 43.800 4.861 0.230 1.00 60.89 O HETATM 2412 O HOH 21 17.482 -3.041 -4.498 1.00 45.56 O HETATM 2413 O HOH 22 23.375 -0.025 19.968 1.00 47.93 O HETATM 2414 O HOH 23 38.410 14.179 -19.416 1.00 41.44 O HETATM 2415 O HOH 24 36.136 13.401 -20.620 1.00 41.39 O HETATM 2416 O HOH 25 29.507 9.437 -3.538 1.00 21.03 O HETATM 2417 O HOH 26 30.794 11.795 -2.490 1.00 20.97 O HETATM 2418 O HOH 27 29.244 16.523 2.755 1.00 26.28 O HETATM 2419 O HOH 28 37.851 18.840 -7.927 1.00 29.37 O HETATM 2420 O HOH 29 38.987 19.011 -13.380 1.00 35.54 O HETATM 2421 O HOH 30 36.342 18.438 -15.105 1.00 37.18 O HETATM 2422 O HOH 31 29.297 17.232 -15.551 1.00 35.77 O HETATM 2423 O HOH 32 37.583 29.123 -5.628 1.00 39.62 O HETATM 2424 O HOH 33 45.539 24.817 -8.701 1.00 47.81 O HETATM 2425 O HOH 34 44.750 23.370 -10.854 1.00 49.31 O HETATM 2426 O HOH 35 49.600 21.419 -2.667 1.00 47.57 O HETATM 2427 O HOH 36 39.583 30.112 12.414 1.00 50.39 O HETATM 2428 O HOH 37 34.492 6.991 -6.562 1.00 20.56 O HETATM 2429 O HOH 38 37.123 13.800 1.435 1.00 34.79 O HETATM 2430 O HOH 39 12.945 21.964 3.228 1.00 44.23 O HETATM 2431 O HOH 40 30.406 7.024 7.977 1.00 28.92 O HETATM 2432 O HOH 41 29.321 5.281 4.780 1.00 27.78 O HETATM 2433 O HOH 42 22.665 2.138 -6.970 1.00 45.95 O HETATM 2434 O HOH 43 29.971 10.189 -20.388 1.00 45.40 O HETATM 2435 O HOH 44 33.714 25.935 -24.576 1.00 56.93 O HETATM 2436 O HOH 45 31.185 -0.065 9.567 1.00 36.96 O HETATM 2437 O HOH 46 24.118 8.849 19.489 1.00 51.55 O HETATM 2438 O HOH 47 22.490 30.753 3.875 1.00 35.54 O HETATM 2439 O HOH 48 45.919 16.858 -7.065 1.00 34.48 O HETATM 2440 O HOH 49 41.308 18.058 -11.737 1.00 34.50 O HETATM 2441 O HOH 50 13.601 8.140 5.578 1.00 38.81 O HETATM 2442 O HOH 51 20.229 32.288 4.702 1.00 54.78 O HETATM 2443 O HOH 52 14.987 0.110 3.405 1.00 54.98 O HETATM 2444 O HOH 53 27.356 25.398 -6.197 1.00 31.63 O HETATM 2445 O HOH 54 31.036 18.895 13.264 1.00 36.55 O HETATM 2446 O HOH 55 24.276 7.608 -13.925 1.00 52.00 O HETATM 2447 O HOH 56 44.975 27.062 -16.954 1.00 52.30 O HETATM 2448 O HOH 57 21.395 33.328 -2.154 1.00 45.43 O HETATM 2449 O HOH 58 19.299 18.460 -10.638 1.00 40.40 O HETATM 2450 O HOH 59 34.493 26.385 3.766 1.00 34.03 O HETATM 2451 O HOH 60 30.313 11.917 -17.814 1.00 58.02 O HETATM 2452 O HOH 61 27.005 24.109 -22.666 1.00 56.45 O HETATM 2453 O HOH 62 29.893 26.501 13.303 1.00 51.48 O HETATM 2454 O HOH 63 26.571 26.051 -3.920 1.00 31.75 O HETATM 2455 O HOH 64 24.337 8.173 -16.868 1.00 55.43 O HETATM 2456 O HOH 65 26.032 17.579 -8.895 1.00 30.00 O HETATM 2457 N CYS A 66 18.077 19.312 -15.322 1.00 0.24 N HETATM 2458 CA CYS A 66 19.530 19.069 -15.069 1.00 0.08 C HETATM 2459 C CYS A 66 20.387 20.139 -15.742 1.00 0.23 C HETATM 2460 O CYS A 66 20.333 20.289 -16.967 1.00 -0.39 O HETATM 2461 N CYS A 66 21.162 20.902 -14.947 1.00 -0.25 N HETATM 2462 CA CYS A 66 22.153 21.807 -15.525 1.00 0.13 C HETATM 2463 C CYS A 66 23.280 21.036 -16.197 1.00 0.20 C HETATM 2464 O CYS A 66 23.655 19.964 -15.722 1.00 -0.39 O HETATM 2465 N CYS A 66 23.811 21.594 -17.283 1.00 -0.26 N HETATM 2466 CA CYS A 66 24.793 20.916 -18.132 1.00 0.13 C HETATM 2467 C CYS A 66 25.994 20.384 -17.360 1.00 0.20 C HETATM 2468 O CYS A 66 26.561 19.353 -17.724 1.00 -0.39 O HETATM 2469 N CYS A 66 26.388 21.091 -16.303 1.00 -0.26 N HETATM 2470 CA CYS A 66 27.541 20.686 -15.512 1.00 0.14 C HETATM 2471 C CYS A 66 27.135 19.966 -14.231 1.00 0.21 C HETATM 2472 O CYS A 66 27.884 19.969 -13.247 1.00 -0.39 O HETATM 2473 N CYS A 66 25.989 19.309 -14.225 1.00 -0.26 N HETATM 2474 CA CYS A 66 25.625 18.563 -13.043 1.00 0.15 C HETATM 2475 C CYS A 66 26.525 17.380 -12.850 1.00 0.21 C HETATM 2476 O CYS A 66 26.922 16.786 -13.807 1.00 -0.39 O HETATM 2477 N CYS A 66 26.831 17.271 -11.565 1.00 -0.26 N HETATM 2478 CA CYS A 66 27.404 15.931 -11.407 1.00 0.13 C HETATM 2479 C CYS A 66 26.349 14.997 -10.882 1.00 0.20 C HETATM 2480 O CYS A 66 26.595 14.191 -10.028 1.00 -0.39 O HETATM 2481 N CYS A 66 25.071 14.953 -10.498 1.00 -0.26 N HETATM 2482 CA CYS A 66 24.011 14.204 -9.863 1.00 0.14 C HETATM 2483 C CYS A 66 23.849 12.910 -10.580 1.00 0.21 C HETATM 2484 O CYS A 66 23.776 12.876 -11.782 1.00 -0.39 O HETATM 2485 N CYS A 66 23.793 11.830 -9.827 1.00 -0.26 N HETATM 2486 CA CYS A 66 23.842 10.506 -10.463 1.00 0.13 C HETATM 2487 C CYS A 66 22.637 10.218 -11.383 1.00 0.20 C HETATM 2488 O CYS A 66 22.677 9.277 -12.177 1.00 -0.39 O HETATM 2489 N CYS A 66 21.583 11.030 -11.283 1.00 -0.26 N HETATM 2490 CA CYS A 66 20.385 10.876 -12.116 1.00 0.14 C HETATM 2491 C CYS A 66 20.275 11.903 -13.255 1.00 0.21 C HETATM 2492 O CYS A 66 19.188 12.105 -13.797 1.00 -0.39 O HETATM 2493 N CYS A 66 21.389 12.534 -13.629 1.00 -0.27 N HETATM 2494 CA CYS A 66 21.409 13.479 -14.757 1.00 0.10 C HETATM 2495 C CYS A 66 22.268 12.952 -15.907 1.00 0.06 C HETATM 2496 O CYS A 66 22.982 11.958 -15.765 1.00 -0.57 O HETATM 2497 OXT CYS A 66 22.270 13.507 -17.007 1.00 -0.57 O HETATM 2498 CB CYS A 66 21.924 14.852 -14.311 1.00 0.04 C HETATM 2499 SG CYS A 66 20.751 15.819 -13.327 1.00 -0.09 S HETATM 2500 SG CYS A 66 19.268 16.302 -14.639 1.00 -0.08 S HETATM 2501 CB CYS A 66 19.949 17.687 -15.581 1.00 0.06 C HETATM 2502 H5 CYS A 66 21.046 17.624 -15.541 1.00 0.05 H HETATM 2503 H6 CYS A 66 19.614 17.591 -16.624 1.00 0.05 H HETATM 2504 H64 CYS A 66 22.176 15.432 -15.211 1.00 0.04 H HETATM 2505 H65 CYS A 66 22.831 14.698 -13.708 1.00 0.04 H HETATM 2506 H63 CYS A 66 20.378 13.597 -15.122 1.00 0.07 H HETATM 2507 H62 CYS A 66 22.236 12.360 -13.128 1.00 0.19 H HETATM 2508 CB CYS A 66 19.133 10.933 -11.229 1.00 0.04 C HETATM 2509 CG CYS A 66 18.967 9.689 -10.378 1.00 0.04 C HETATM 2510 OD1 CYS A 66 18.967 8.578 -10.953 1.00 -0.57 O HETATM 2511 OD2 CYS A 66 18.836 9.818 -9.139 1.00 -0.57 O HETATM 2512 H60 CYS A 66 18.248 11.040 -11.874 1.00 0.05 H HETATM 2513 H61 CYS A 66 19.210 11.807 -10.565 1.00 0.05 H HETATM 2514 H59 CYS A 66 20.432 9.879 -12.579 1.00 0.08 H HETATM 2515 H58 CYS A 66 21.611 11.773 -10.614 1.00 0.19 H HETATM 2516 CB CYS A 66 24.034 9.394 -9.411 1.00 -0.01 C HETATM 2517 CG CYS A 66 22.884 8.809 -8.575 1.00 -0.04 C HETATM 2518 CD1 CYS A 66 21.842 9.854 -8.197 1.00 -0.06 C HETATM 2519 H52 CYS A 66 21.047 9.380 -7.602 1.00 0.02 H HETATM 2520 H53 CYS A 66 21.408 10.287 -9.111 1.00 0.02 H HETATM 2521 H54 CYS A 66 22.318 10.649 -7.605 1.00 0.02 H HETATM 2522 CD2 CYS A 66 22.216 7.632 -9.279 1.00 -0.06 C HETATM 2523 H55 CYS A 66 22.977 6.885 -9.547 1.00 0.02 H HETATM 2524 H56 CYS A 66 21.714 7.987 -10.191 1.00 0.02 H HETATM 2525 H57 CYS A 66 21.475 7.175 -8.607 1.00 0.02 H HETATM 2526 H51 CYS A 66 23.324 8.431 -7.641 1.00 0.03 H HETATM 2527 H49 CYS A 66 24.762 9.788 -8.687 1.00 0.03 H HETATM 2528 H50 CYS A 66 24.477 8.543 -9.950 1.00 0.03 H HETATM 2529 H48 CYS A 66 24.735 10.498 -11.106 1.00 0.08 H HETATM 2530 H47 CYS A 66 23.718 11.911 -8.833 1.00 0.19 H HETATM 2531 CB CYS A 66 22.720 14.947 -9.947 1.00 0.02 C HETATM 2532 CG CYS A 66 21.579 14.318 -9.221 1.00 -0.05 C HETATM 2533 CD1 CYS A 66 21.764 13.662 -8.035 1.00 -0.07 C HETATM 2534 CE1 CYS A 66 20.699 13.110 -7.375 1.00 -0.04 C HETATM 2535 CZ CYS A 66 19.438 13.222 -7.884 1.00 0.08 C HETATM 2536 CE2 CYS A 66 19.236 13.866 -9.059 1.00 -0.04 C HETATM 2537 CD2 CYS A 66 20.302 14.419 -9.712 1.00 -0.07 C HETATM 2538 H43 CYS A 66 20.134 14.951 -10.642 1.00 0.05 H HETATM 2539 H45 CYS A 66 18.239 13.942 -9.477 1.00 0.05 H HETATM 2540 OH CYS A 66 18.367 12.691 -7.248 1.00 -0.34 O HETATM 2541 H46 CYS A 66 18.653 12.273 -6.444 1.00 0.25 H HETATM 2542 H44 CYS A 66 20.859 12.581 -6.442 1.00 0.05 H HETATM 2543 H42 CYS A 66 22.760 13.579 -7.615 1.00 0.05 H HETATM 2544 H40 CYS A 66 22.444 15.031 -11.008 1.00 0.05 H HETATM 2545 H41 CYS A 66 22.878 15.952 -9.528 1.00 0.05 H HETATM 2546 H39 CYS A 66 24.267 14.023 -8.809 1.00 0.08 H HETATM 2547 H38 CYS A 66 24.669 15.827 -10.771 1.00 0.19 H HETATM 2548 CB CYS A 66 28.571 15.981 -10.454 1.00 -0.02 C HETATM 2549 H35 CYS A 66 28.995 14.973 -10.341 1.00 0.03 H HETATM 2550 H36 CYS A 66 28.229 16.347 -9.475 1.00 0.03 H HETATM 2551 H37 CYS A 66 29.340 16.660 -10.851 1.00 0.03 H HETATM 2552 H34 CYS A 66 27.754 15.569 -12.385 1.00 0.08 H HETATM 2553 H33 CYS A 66 26.699 17.959 -10.852 1.00 0.19 H HETATM 2554 CB CYS A 66 24.213 18.094 -13.100 1.00 0.08 C HETATM 2555 OG CYS A 66 23.922 17.414 -11.919 1.00 -0.39 O HETATM 2556 H32 CYS A 66 24.039 18.000 -11.180 1.00 0.21 H HETATM 2557 H30 CYS A 66 24.081 17.419 -13.958 1.00 0.06 H HETATM 2558 H31 CYS A 66 23.540 18.957 -13.206 1.00 0.06 H HETATM 2559 H29 CYS A 66 25.734 19.229 -12.175 1.00 0.08 H HETATM 2560 H28 CYS A 66 25.386 19.328 -15.022 1.00 0.19 H HETATM 2561 CB CYS A 66 28.420 21.896 -15.189 1.00 0.02 C HETATM 2562 CG CYS A 66 28.838 22.720 -16.390 1.00 -0.05 C HETATM 2563 CD1 CYS A 66 28.897 22.166 -17.671 1.00 -0.07 C HETATM 2564 CE1 CYS A 66 29.287 22.928 -18.759 1.00 -0.04 C HETATM 2565 CZ CYS A 66 29.650 24.249 -18.575 1.00 0.08 C HETATM 2566 CE2 CYS A 66 29.618 24.811 -17.316 1.00 -0.04 C HETATM 2567 CD2 CYS A 66 29.214 24.048 -16.235 1.00 -0.07 C HETATM 2568 H24 CYS A 66 29.191 24.495 -15.248 1.00 0.05 H HETATM 2569 H26 CYS A 66 29.908 25.846 -17.174 1.00 0.05 H HETATM 2570 OH CYS A 66 30.048 25.019 -19.644 1.00 -0.34 O HETATM 2571 H27 CYS A 66 30.018 24.497 -20.437 1.00 0.25 H HETATM 2572 H25 CYS A 66 29.308 22.491 -19.751 1.00 0.05 H HETATM 2573 H23 CYS A 66 28.634 21.124 -17.815 1.00 0.05 H HETATM 2574 H21 CYS A 66 29.331 21.533 -14.690 1.00 0.05 H HETATM 2575 H22 CYS A 66 27.862 22.550 -14.503 1.00 0.05 H HETATM 2576 H20 CYS A 66 28.134 19.985 -16.118 1.00 0.08 H HETATM 2577 H19 CYS A 66 25.883 21.915 -16.048 1.00 0.19 H HETATM 2578 CB CYS A 66 25.265 21.853 -19.233 1.00 -0.02 C HETATM 2579 H16 CYS A 66 26.002 21.335 -19.865 1.00 0.03 H HETATM 2580 H17 CYS A 66 25.729 22.743 -18.783 1.00 0.03 H HETATM 2581 H18 CYS A 66 24.406 22.159 -19.848 1.00 0.03 H HETATM 2582 H15 CYS A 66 24.291 20.057 -18.601 1.00 0.08 H HETATM 2583 H14 CYS A 66 23.526 22.520 -17.531 1.00 0.19 H HETATM 2584 CB CYS A 66 22.682 22.579 -14.312 1.00 -0.01 C HETATM 2585 CG CYS A 66 21.611 22.468 -13.297 1.00 -0.03 C HETATM 2586 CD CYS A 66 21.026 21.107 -13.496 1.00 0.04 C HETATM 2587 H12 CYS A 66 21.590 20.348 -12.934 1.00 0.05 H HETATM 2588 H13 CYS A 66 19.970 21.081 -13.190 1.00 0.05 H HETATM 2589 H10 CYS A 66 20.847 23.244 -13.455 1.00 0.03 H HETATM 2590 H11 CYS A 66 22.028 22.565 -12.284 1.00 0.03 H HETATM 2591 H8 CYS A 66 22.862 23.633 -14.572 1.00 0.03 H HETATM 2592 H9 CYS A 66 23.615 22.128 -13.942 1.00 0.03 H HETATM 2593 H7 CYS A 66 21.686 22.486 -16.254 1.00 0.08 H HETATM 2594 H4 CYS A 66 19.704 19.110 -13.984 1.00 0.11 H HETATM 2595 H1 CYS A 66 17.533 18.595 -14.869 1.00 0.20 H HETATM 2596 H2 CYS A 66 17.901 19.291 -16.314 1.00 0.20 H HETATM 2597 H3 CYS A 66 17.818 20.214 -14.953 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 307 306 439 CONECT 365 364 1082 CONECT 439 307 438 CONECT 1082 365 1081 CONECT 1313 1312 1964 CONECT 1630 1629 1787 CONECT 1787 1630 1786 CONECT 1889 1888 2131 CONECT 1964 1313 1963 CONECT 2131 1889 2130 CONECT 2457 2458 2595 2596 2597 CONECT 2458 2457 2459 2501 2594 CONECT 2459 2458 2460 2461 CONECT 2460 2459 CONECT 2461 2459 2462 2586 CONECT 2462 2461 2463 2584 2593 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2583 CONECT 2466 2465 2467 2578 2582 CONECT 2467 2466 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2577 CONECT 2470 2469 2471 2561 2576 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2560 CONECT 2474 2473 2475 2554 2559 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 2478 2553 CONECT 2478 2477 2479 2548 2552 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2547 CONECT 2482 2481 2483 2531 2546 CONECT 2483 2482 2484 2485 CONECT 2484 2483 CONECT 2485 2483 2486 2530 CONECT 2486 2485 2487 2516 2529 CONECT 2487 2486 2488 2489 CONECT 2488 2487 CONECT 2489 2487 2490 2515 CONECT 2490 2489 2491 2508 2514 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 2494 2507 CONECT 2494 2493 2495 2498 2506 CONECT 2495 2494 2496 2497 CONECT 2496 2495 CONECT 2497 2495 CONECT 2498 2494 2499 2504 2505 CONECT 2499 2498 2500 CONECT 2500 2499 2501 CONECT 2501 2458 2500 2502 2503 CONECT 2502 2501 CONECT 2503 2501 CONECT 2504 2498 CONECT 2505 2498 CONECT 2506 2494 CONECT 2507 2493 CONECT 2508 2490 2509 2512 2513 CONECT 2509 2508 2510 2511 CONECT 2510 2509 CONECT 2511 2509 CONECT 2512 2508 CONECT 2513 2508 CONECT 2514 2490 CONECT 2515 2489 CONECT 2516 2486 2517 2527 2528 CONECT 2517 2516 2518 2522 2526 CONECT 2518 2517 2519 2520 2521 CONECT 2519 2518 CONECT 2520 2518 CONECT 2521 2518 CONECT 2522 2517 2523 2524 2525 CONECT 2523 2522 CONECT 2524 2522 CONECT 2525 2522 CONECT 2526 2517 CONECT 2527 2516 CONECT 2528 2516 CONECT 2529 2486 CONECT 2530 2485 CONECT 2531 2482 2532 2544 2545 CONECT 2532 2531 2533 2537 CONECT 2533 2532 2534 2543 CONECT 2534 2533 2535 2542 CONECT 2535 2534 2536 2540 CONECT 2536 2535 2537 2539 CONECT 2537 2532 2536 2538 CONECT 2538 2537 CONECT 2539 2536 CONECT 2540 2535 2541 CONECT 2541 2540 CONECT 2542 2534 CONECT 2543 2533 CONECT 2544 2531 CONECT 2545 2531 CONECT 2546 2482 CONECT 2547 2481 CONECT 2548 2478 2549 2550 2551 CONECT 2549 2548 CONECT 2550 2548 CONECT 2551 2548 CONECT 2552 2478 CONECT 2553 2477 CONECT 2554 2474 2555 2557 2558 CONECT 2555 2554 2556 CONECT 2556 2555 CONECT 2557 2554 CONECT 2558 2554 CONECT 2559 2474 CONECT 2560 2473 CONECT 2561 2470 2562 2574 2575 CONECT 2562 2561 2563 2567 CONECT 2563 2562 2564 2573 CONECT 2564 2563 2565 2572 CONECT 2565 2564 2566 2570 CONECT 2566 2565 2567 2569 CONECT 2567 2562 2566 2568 CONECT 2568 2567 CONECT 2569 2566 CONECT 2570 2565 2571 CONECT 2571 2570 CONECT 2572 2564 CONECT 2573 2563 CONECT 2574 2561 CONECT 2575 2561 CONECT 2576 2470 CONECT 2577 2469 CONECT 2578 2466 2579 2580 2581 CONECT 2579 2578 CONECT 2580 2578 CONECT 2581 2578 CONECT 2582 2466 CONECT 2583 2465 CONECT 2584 2462 2585 2591 2592 CONECT 2585 2584 2586 2589 2590 CONECT 2586 2461 2585 2587 2588 CONECT 2587 2586 CONECT 2588 2586 CONECT 2589 2585 CONECT 2590 2585 CONECT 2591 2584 CONECT 2592 2584 CONECT 2593 2462 CONECT 2594 2458 CONECT 2595 2457 CONECT 2596 2457 CONECT 2597 2457 MASTER 0 0 0 0 0 0 0 0 2596 1 155 19 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4x1n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ejn
RCSB PDB
PDBbind
253aa, >1EJN_1|Chain... at 99%
1f5k
RCSB PDB
PDBbind
253aa, >1F5K_1|Chain... at 99%
1f5l
RCSB PDB
PDBbind
253aa, >1F5L_1|Chain... at 99%
1f92
RCSB PDB
PDBbind
253aa, >1F92_1|Chain... at 99%
1fv9
RCSB PDB
PDBbind
245aa, >1FV9_1|Chain... at 99%
1owd
RCSB PDB
PDBbind
245aa, >1OWD_1|Chain... at 99%
1owe
RCSB PDB
PDBbind
245aa, >1OWE_1|Chain... at 99%
1owh
RCSB PDB
PDBbind
245aa, >1OWH_1|Chain... at 99%
1owi
RCSB PDB
PDBbind
245aa, >1OWI_1|Chain... at 99%
1owj
RCSB PDB
PDBbind
245aa, >1OWJ_1|Chain... at 99%
1owk
RCSB PDB
PDBbind
245aa, >1OWK_1|Chain... at 99%
1sc8
RCSB PDB
PDBbind
262aa, >1SC8_1|Chain... at 99%
1sqa
RCSB PDB
PDBbind
245aa, >1SQA_1|Chain... at 99%
1sqo
RCSB PDB
PDBbind
245aa, >1SQO_1|Chain... at 99%
1sqt
RCSB PDB
PDBbind
245aa, >1SQT_1|Chain... at 99%
1u6q
RCSB PDB
PDBbind
245aa, >1U6Q_1|Chain... at 99%
1vj9
RCSB PDB
PDBbind
262aa, >1VJ9_1|Chain... at 99%
1vja
RCSB PDB
PDBbind
262aa, >1VJA_1|Chain... at 99%
1w0z
RCSB PDB
PDBbind
247aa, >1W0Z_1|Chain... at 99%
1w10
RCSB PDB
PDBbind
247aa, >1W10_1|Chain... at 99%
1w11
RCSB PDB
PDBbind
247aa, >1W11_1|Chain... at 99%
1w12
RCSB PDB
PDBbind
247aa, >1W12_1|Chain... at 99%
1w13
RCSB PDB
PDBbind
247aa, >1W13_1|Chain... at 99%
1w14
RCSB PDB
PDBbind
247aa, >1W14_1|Chain... at 99%
2r2w
RCSB PDB
PDBbind
253aa, >2R2W_1|Chain... at 99%
2vin
RCSB PDB
PDBbind
253aa, >2VIN_1|Chain... at 99%
2vio
RCSB PDB
PDBbind
253aa, >2VIO_1|Chain... at 99%
2vip
RCSB PDB
PDBbind
253aa, >2VIP_1|Chain... at 99%
2viq
RCSB PDB
PDBbind
253aa, >2VIQ_1|Chain... at 99%
2viv
RCSB PDB
PDBbind
253aa, >2VIV_1|Chain... at 99%
2viw
RCSB PDB
PDBbind
253aa, >2VIW_1|Chain... at 99%
2vnt
RCSB PDB
PDBbind
276aa, >2VNT_1|Chains... at 96%
3kgp
RCSB PDB
PDBbind
253aa, >3KGP_1|Chain... at 99%
3khv
RCSB PDB
PDBbind
253aa, >3KHV_1|Chain... at 99%
3kid
RCSB PDB
PDBbind
253aa, >3KID_1|Chain... at 99%
3mhw
RCSB PDB
PDBbind
247aa, >3MHW_1|Chain... at 99%
4h42
RCSB PDB
PDBbind
248aa, >4H42_1|Chain... at 99%
4mnv
RCSB PDB
PDBbind
245aa, >4MNV_1|Chain... at 99%
4x1p
RCSB PDB
PDBbind
247aa, >4X1P_1|Chain... at 98%
4x1q
RCSB PDB
PDBbind
247aa, >4X1Q_2|Chain... at 98%
4x1r
RCSB PDB
PDBbind
247aa, >4X1R_2|Chain... at 98%
4x1s
RCSB PDB
PDBbind
247aa, >4X1S_2|Chain... at 98%
4zhl
RCSB PDB
PDBbind
247aa, >4ZHL_1|Chain... at 98%
4zhm
RCSB PDB
PDBbind
247aa, >4ZHM_2|Chain... at 98%
5wxp
RCSB PDB
PDBbind
253aa, >5WXP_1|Chain... at 99%
5xg4
RCSB PDB
PDBbind
246aa, >5XG4_1|Chain... at 99%
5z1c
RCSB PDB
PDBbind
245aa, >5Z1C_1|Chain... at 99%
5za7
RCSB PDB
PDBbind
253aa, >5ZA7_1|Chain... at 99%
5za8
RCSB PDB
PDBbind
253aa, >5ZA8_1|Chain... at 99%
5za9
RCSB PDB
PDBbind
253aa, >5ZA9_1|Chain... at 99%
5zae
RCSB PDB
PDBbind
253aa, >5ZAE_1|Chain... at 99%
5zaf
RCSB PDB
PDBbind
253aa, >5ZAF_1|Chain... at 99%
5zag
RCSB PDB
PDBbind
253aa, >5ZAG_1|Chain... at 99%
5zah
RCSB PDB
PDBbind
253aa, >5ZAH_1|Chain... at 99%
5zaj
RCSB PDB
PDBbind
253aa, >5ZAJ_1|Chain... at 99%
5zc5
RCSB PDB
PDBbind
253aa, >5ZC5_1|Chain... at 99%
6nmb
RCSB PDB
PDBbind
281aa, >6NMB_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4x1n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
murinised human uPA
Ligand Name
10-mer
EC.Number
E.C.3.4.21.73
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.38uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos One Vol. 9: pp. 1-27
Ligand Properties
Formula
C
4
8
H
6
7
N
1
0
O
1
6
S
2
Molecular Weight
1104.230
Exact Mass
1103.420
No. of atoms
143
No. of bonds
146
Polar Surface Area
466.64
LOGP Value
-0.50 (
Computed with XLOGP3
)
-1.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 4
Canonical SMILES
OC[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)Cc1ccc(cc1)O)CC(C)C)CC(=O)O)C(=O)O
InChI String
InChI=1S/C48H66N10O16S2/c1-23(2)16-31-41(66)55-34(19-38(62)63)44(69)57-36(48(73)74)22-76-75-21-30(49)47(72)58-15-5-6-37(58)46(71)51-25(4)40(65)53-33(18-27-9-13-29(61)14-10-27)43(68)56-35(20-59)45(70)50-24(3)39(64)52-32(42(67)54-31)17-26-7-11-28(60)12-8-26/h7-14,23-25,30-37,59-61H,5-6,15-22,49H2,1-4H3,(H,50,70)(H,51,71)(H,52,64)(H,53,65)(H,54,67)(H,55,66)(H,56,68)(H,57,69)(H,62,63)(H,73,74)/p+1/t24-,25-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00749
Entrez Gene ID
NCBI Entrez Gene ID:
5328
ASD
Information of known allosteric effects of PDB entries
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