Browse entries in the PDBbind-CN Database
HEADER 4Z0U_COMPLEX COMPND 4Z0U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 MET LEU LYS GLN VAL GLU ILE PHE THR ASP GLY SER CYS SEQRES 2 A 155 LEU GLY ASN PRO GLY PRO GLY GLY TYR GLY ALA ILE LEU SEQRES 3 A 155 ARG TYR ARG GLY ARG GLU LYS THR PHE SER ALA GLY TYR SEQRES 4 A 155 THR ARG THR THR ASN ASN ARG MET GLU LEU MET ALA ALA SEQRES 5 A 155 ILE VAL ALA LEU GLU ALA LEU LYS GLU HIS CYS GLU VAL SEQRES 6 A 155 ILE LEU SER THR ASP SER GLN TYR VAL ARG GLN GLY ILE SEQRES 7 A 155 THR GLN TRP ILE HIS ASN TRP LYS LYS ARG GLY TRP LYS SEQRES 8 A 155 THR ALA ASP LYS LYS PRO VAL LYS ASN VAL ASP LEU TRP SEQRES 9 A 155 GLN ARG LEU ASP ALA ALA LEU GLY GLN HIS GLN ILE LYS SEQRES 10 A 155 TRP GLU TRP VAL LYS GLY HIS ALA GLY HIS PRO GLU ASN SEQRES 11 A 155 GLU ARG CYS ASP GLU LEU ALA ARG ALA ALA ALA MET ASN SEQRES 12 A 155 PRO THR LEU GLU ASP THR GLY TYR GLN VAL GLU VAL HET ASP A 200 68 ATOM 1 N MET A 1 83.004 38.959 44.174 1.00 55.01 N ATOM 2 CA MET A 1 82.084 38.498 43.097 1.00 53.98 C ATOM 3 C MET A 1 82.813 38.467 41.753 1.00 48.87 C ATOM 4 O MET A 1 83.837 39.117 41.561 1.00 49.70 O ATOM 5 CB MET A 1 80.848 39.408 42.973 1.00 58.11 C ATOM 6 CG MET A 1 79.979 39.562 44.223 1.00 61.93 C ATOM 7 SD MET A 1 79.000 38.124 44.726 1.00 66.64 S ATOM 8 CE MET A 1 77.778 38.032 43.416 1.00 64.24 C ATOM 9 HN3 MET A 1 83.346 39.915 43.950 1.00 0.00 H ATOM 10 HN2 MET A 1 83.812 38.308 44.240 1.00 0.00 H ATOM 11 HN1 MET A 1 82.494 38.975 45.080 1.00 0.00 H ATOM 12 N LEU A 2 82.281 37.689 40.827 1.00 44.14 N ATOM 13 CA LEU A 2 82.723 37.735 39.444 1.00 40.42 C ATOM 14 C LEU A 2 81.983 38.854 38.737 1.00 37.45 C ATOM 15 O LEU A 2 80.813 39.095 39.014 1.00 36.57 O ATOM 16 CB LEU A 2 82.415 36.415 38.751 1.00 39.40 C ATOM 17 CG LEU A 2 83.074 35.173 39.344 1.00 41.19 C ATOM 18 CD1 LEU A 2 82.410 33.926 38.778 1.00 42.00 C ATOM 19 CD2 LEU A 2 84.575 35.166 39.082 1.00 40.80 C ATOM 20 H LEU A 2 81.526 37.026 41.095 1.00 0.00 H ATOM 21 N LYS A 3 82.665 39.532 37.824 1.00 37.47 N ATOM 22 CA LYS A 3 82.002 40.463 36.910 1.00 37.80 C ATOM 23 C LYS A 3 81.003 39.693 36.058 1.00 36.39 C ATOM 24 O LYS A 3 81.334 38.612 35.568 1.00 34.66 O ATOM 25 CB LYS A 3 83.019 41.127 35.998 1.00 38.23 C ATOM 26 CG LYS A 3 84.016 41.996 36.727 1.00 39.48 C ATOM 27 CD LYS A 3 84.998 42.631 35.766 1.00 40.29 C ATOM 28 CE LYS A 3 86.102 43.340 36.527 1.00 41.76 C ATOM 29 NZ LYS A 3 87.186 43.760 35.606 1.00 42.81 N ATOM 30 HZ1 LYS A 3 87.585 42.922 35.137 1.00 0.00 H ATOM 31 HZ2 LYS A 3 86.800 44.408 34.891 1.00 0.00 H ATOM 32 HZ3 LYS A 3 87.931 44.243 36.147 1.00 0.00 H ATOM 33 H LYS A 3 83.694 39.399 37.756 1.00 0.00 H ATOM 34 N GLN A 4 79.797 40.242 35.887 1.00 36.78 N ATOM 35 CA GLN A 4 78.768 39.595 35.066 1.00 37.08 C ATOM 36 C GLN A 4 78.806 40.136 33.645 1.00 36.07 C ATOM 37 O GLN A 4 78.825 41.338 33.428 1.00 36.10 O ATOM 38 CB GLN A 4 77.361 39.770 35.645 1.00 38.62 C ATOM 39 CG GLN A 4 76.312 38.928 34.919 1.00 39.05 C ATOM 40 CD GLN A 4 74.896 39.162 35.422 1.00 40.39 C ATOM 41 OE1 GLN A 4 74.147 39.951 34.845 1.00 41.75 O ATOM 42 NE2 GLN A 4 74.524 38.480 36.501 1.00 40.32 N ATOM 43 HE22 GLN A 4 75.190 37.824 36.957 1.00 0.00 H ATOM 44 HE21 GLN A 4 73.567 38.603 36.889 1.00 0.00 H ATOM 45 H GLN A 4 79.583 41.150 36.347 1.00 0.00 H ATOM 46 N VAL A 5 78.812 39.230 32.679 1.00 35.38 N ATOM 47 CA VAL A 5 78.824 39.603 31.276 1.00 34.24 C ATOM 48 C VAL A 5 77.652 38.918 30.593 1.00 34.96 C ATOM 49 O VAL A 5 77.352 37.758 30.864 1.00 35.24 O ATOM 50 CB VAL A 5 80.154 39.204 30.598 1.00 35.37 C ATOM 51 CG1 VAL A 5 80.120 39.492 29.108 1.00 36.92 C ATOM 52 CG2 VAL A 5 81.313 39.960 31.213 1.00 36.52 C ATOM 53 H VAL A 5 78.808 38.222 32.933 1.00 0.00 H ATOM 54 N GLU A 6 76.989 39.658 29.713 1.00 36.30 N ATOM 55 CA GLU A 6 75.960 39.102 28.842 1.00 36.50 C ATOM 56 C GLU A 6 76.605 38.793 27.499 1.00 33.71 C ATOM 57 O GLU A 6 77.354 39.610 26.947 1.00 32.78 O ATOM 58 CB GLU A 6 74.819 40.102 28.649 1.00 39.27 C ATOM 59 CG GLU A 6 73.879 40.234 29.838 1.00 42.08 C ATOM 60 CD GLU A 6 72.854 41.344 29.646 1.00 46.66 C ATOM 61 OE1 GLU A 6 71.659 41.119 29.939 1.00 51.30 O ATOM 62 OE2 GLU A 6 73.242 42.446 29.197 1.00 49.86 O ATOM 63 H GLU A 6 77.211 40.671 29.642 1.00 0.00 H ATOM 64 N ILE A 7 76.339 37.599 26.991 1.00 32.02 N ATOM 65 CA ILE A 7 76.830 37.204 25.680 1.00 31.03 C ATOM 66 C ILE A 7 75.660 36.751 24.821 1.00 29.01 C ATOM 67 O ILE A 7 74.810 35.979 25.270 1.00 31.34 O ATOM 68 CB ILE A 7 77.917 36.101 25.772 1.00 30.86 C ATOM 69 CG1 ILE A 7 79.205 36.695 26.352 1.00 31.83 C ATOM 70 CG2 ILE A 7 78.200 35.499 24.398 1.00 30.65 C ATOM 71 CD1 ILE A 7 80.342 35.694 26.500 1.00 33.22 C ATOM 72 H ILE A 7 75.766 36.929 27.542 1.00 0.00 H ATOM 73 N PHE A 8 75.644 37.244 23.588 1.00 30.16 N ATOM 74 CA PHE A 8 74.661 36.867 22.577 1.00 30.22 C ATOM 75 C PHE A 8 75.423 36.357 21.350 1.00 30.29 C ATOM 76 O PHE A 8 76.376 36.988 20.902 1.00 28.13 O ATOM 77 CB PHE A 8 73.798 38.074 22.213 1.00 30.88 C ATOM 78 CG PHE A 8 73.193 38.753 23.408 1.00 31.67 C ATOM 79 CD1 PHE A 8 71.964 38.344 23.907 1.00 32.81 C ATOM 80 CD2 PHE A 8 73.871 39.772 24.055 1.00 32.15 C ATOM 81 CE1 PHE A 8 71.413 38.952 25.018 1.00 32.63 C ATOM 82 CE2 PHE A 8 73.328 40.389 25.169 1.00 32.97 C ATOM 83 CZ PHE A 8 72.096 39.981 25.646 1.00 33.76 C ATOM 84 H PHE A 8 76.373 37.938 23.328 1.00 0.00 H ATOM 85 N THR A 9 75.001 35.208 20.834 1.00 29.57 N ATOM 86 CA THR A 9 75.708 34.538 19.754 1.00 31.76 C ATOM 87 C THR A 9 74.747 34.054 18.690 1.00 32.88 C ATOM 88 O THR A 9 73.581 33.774 18.978 1.00 34.26 O ATOM 89 CB THR A 9 76.536 33.332 20.266 1.00 31.14 C ATOM 90 OG1 THR A 9 75.679 32.342 20.845 1.00 33.57 O ATOM 91 CG2 THR A 9 77.546 33.780 21.292 1.00 31.07 C ATOM 92 HG1 THR A 9 75.036 32.024 20.163 1.00 0.00 H ATOM 93 H THR A 9 74.136 34.773 21.215 1.00 0.00 H ATOM 94 N ASP A 10 75.245 33.965 17.459 1.00 32.71 N ATOM 95 CA ASP A 10 74.481 33.390 16.360 1.00 34.61 C ATOM 96 C ASP A 10 75.421 32.990 15.217 1.00 33.05 C ATOM 97 O ASP A 10 76.454 33.632 14.981 1.00 29.30 O ATOM 98 CB ASP A 10 73.424 34.395 15.875 1.00 36.50 C ATOM 99 CG ASP A 10 72.314 33.755 15.034 1.00 40.63 C ATOM 100 OD1 ASP A 10 71.942 32.584 15.258 1.00 40.58 O ATOM 101 OD2 ASP A 10 71.789 34.457 14.146 1.00 46.06 O ATOM 102 H ASP A 10 76.207 34.316 17.276 1.00 0.00 H ATOM 103 N GLY A 11 75.053 31.910 14.533 1.00 33.32 N ATOM 104 CA GLY A 11 75.735 31.467 13.313 1.00 33.88 C ATOM 105 C GLY A 11 74.780 31.535 12.129 1.00 35.53 C ATOM 106 O GLY A 11 73.570 31.580 12.297 1.00 32.11 O ATOM 107 H GLY A 11 74.245 31.355 14.879 1.00 0.00 H ATOM 108 N SER A 12 75.327 31.545 10.921 1.00 35.83 N ATOM 109 CA SER A 12 74.518 31.613 9.718 1.00 35.68 C ATOM 110 C SER A 12 75.314 30.965 8.599 1.00 35.32 C ATOM 111 O SER A 12 76.537 31.089 8.574 1.00 31.32 O ATOM 112 CB SER A 12 74.209 33.072 9.396 1.00 38.27 C ATOM 113 OG SER A 12 73.190 33.185 8.428 1.00 41.45 O ATOM 114 HG SER A 12 73.016 34.142 8.244 1.00 0.00 H ATOM 115 H SER A 12 76.362 31.503 10.833 1.00 0.00 H ATOM 116 N CYS A 13 74.632 30.238 7.711 1.00 33.82 N ATOM 117 CA CYS A 13 75.291 29.548 6.600 1.00 34.41 C ATOM 118 C CYS A 13 74.379 29.506 5.382 1.00 36.36 C ATOM 119 O CYS A 13 73.175 29.268 5.500 1.00 33.94 O ATOM 120 CB CYS A 13 75.675 28.127 6.998 1.00 34.60 C ATOM 121 SG CYS A 13 76.755 27.273 5.820 1.00 35.79 S ATOM 122 H CYS A 13 73.600 30.159 7.811 1.00 0.00 H ATOM 123 N LEU A 14 74.958 29.723 4.207 1.00 37.02 N ATOM 124 CA LEU A 14 74.168 29.791 2.978 1.00 40.80 C ATOM 125 C LEU A 14 73.894 28.423 2.333 1.00 42.76 C ATOM 126 O LEU A 14 73.098 28.330 1.414 1.00 49.06 O ATOM 127 CB LEU A 14 74.826 30.758 1.992 1.00 40.76 C ATOM 128 CG LEU A 14 74.928 32.189 2.543 1.00 39.86 C ATOM 129 CD1 LEU A 14 75.933 32.997 1.754 1.00 41.15 C ATOM 130 CD2 LEU A 14 73.578 32.893 2.553 1.00 42.38 C ATOM 131 H LEU A 14 75.990 29.847 4.160 1.00 0.00 H ATOM 132 N GLY A 15 74.527 27.364 2.826 1.00 45.55 N ATOM 133 CA GLY A 15 74.289 26.022 2.305 1.00 45.28 C ATOM 134 C GLY A 15 74.490 24.997 3.392 1.00 45.84 C ATOM 135 O GLY A 15 74.409 25.322 4.566 1.00 45.90 O ATOM 136 H GLY A 15 75.208 27.495 3.601 1.00 0.00 H ATOM 137 N ASN A 16 74.760 23.763 2.993 1.00 45.61 N ATOM 138 CA ASN A 16 74.976 22.667 3.918 1.00 48.45 C ATOM 139 C ASN A 16 75.821 21.603 3.232 1.00 47.77 C ATOM 140 O ASN A 16 75.347 20.485 3.021 1.00 54.94 O ATOM 141 CB ASN A 16 73.634 22.070 4.390 1.00 51.29 C ATOM 142 CG ASN A 16 73.810 20.924 5.392 1.00 53.82 C ATOM 143 OD1 ASN A 16 73.264 19.832 5.202 1.00 58.04 O ATOM 144 ND2 ASN A 16 74.582 21.162 6.452 1.00 52.14 N ATOM 145 HD22 ASN A 16 75.023 22.096 6.575 1.00 0.00 H ATOM 146 HD21 ASN A 16 74.743 20.414 7.156 1.00 0.00 H ATOM 147 H ASN A 16 74.820 23.572 1.972 1.00 0.00 H ATOM 148 N PRO A 17 77.075 21.920 2.896 1.00 44.63 N ATOM 149 CA PRO A 17 77.793 23.128 3.351 1.00 41.52 C ATOM 150 C PRO A 17 77.786 24.329 2.398 1.00 39.41 C ATOM 151 O PRO A 17 77.357 24.236 1.241 1.00 38.74 O ATOM 152 CB PRO A 17 79.226 22.622 3.515 1.00 42.13 C ATOM 153 CG PRO A 17 79.339 21.511 2.531 1.00 43.90 C ATOM 154 CD PRO A 17 78.001 20.826 2.556 1.00 43.56 C ATOM 155 N GLY A 18 78.267 25.456 2.907 1.00 35.83 N ATOM 156 CA GLY A 18 78.389 26.674 2.119 1.00 34.50 C ATOM 157 C GLY A 18 79.074 27.777 2.902 1.00 33.09 C ATOM 158 O GLY A 18 79.513 27.553 4.021 1.00 33.49 O ATOM 159 H GLY A 18 78.567 25.470 3.903 1.00 0.00 H ATOM 160 N PRO A 19 79.184 28.972 2.307 1.00 32.46 N ATOM 161 CA PRO A 19 79.742 30.106 3.008 1.00 31.35 C ATOM 162 C PRO A 19 78.904 30.453 4.226 1.00 31.54 C ATOM 163 O PRO A 19 77.672 30.387 4.171 1.00 30.59 O ATOM 164 CB PRO A 19 79.684 31.236 1.980 1.00 31.87 C ATOM 165 CG PRO A 19 79.641 30.558 0.657 1.00 33.22 C ATOM 166 CD PRO A 19 78.889 29.285 0.895 1.00 33.40 C ATOM 167 N GLY A 20 79.580 30.798 5.316 1.00 28.94 N ATOM 168 CA GLY A 20 78.912 31.083 6.570 1.00 28.48 C ATOM 169 C GLY A 20 79.681 32.071 7.402 1.00 28.16 C ATOM 170 O GLY A 20 80.795 32.491 7.055 1.00 27.99 O ATOM 171 H GLY A 20 80.617 30.865 5.268 1.00 0.00 H ATOM 172 N GLY A 21 79.078 32.438 8.519 1.00 26.29 N ATOM 173 CA GLY A 21 79.675 33.387 9.417 1.00 26.16 C ATOM 174 C GLY A 21 79.084 33.241 10.799 1.00 27.36 C ATOM 175 O GLY A 21 78.086 32.536 10.994 1.00 26.01 O ATOM 176 H GLY A 21 78.150 32.031 8.753 1.00 0.00 H ATOM 177 N TYR A 22 79.727 33.898 11.758 1.00 27.23 N ATOM 178 CA TYR A 22 79.239 33.958 13.120 1.00 26.77 C ATOM 179 C TYR A 22 79.165 35.412 13.529 1.00 26.87 C ATOM 180 O TYR A 22 79.874 36.249 12.987 1.00 26.76 O ATOM 181 CB TYR A 22 80.152 33.160 14.066 1.00 27.03 C ATOM 182 CG TYR A 22 81.555 33.708 14.265 1.00 26.55 C ATOM 183 CD1 TYR A 22 81.775 34.819 15.063 1.00 27.21 C ATOM 184 CD2 TYR A 22 82.665 33.083 13.701 1.00 27.22 C ATOM 185 CE1 TYR A 22 83.040 35.327 15.246 1.00 27.07 C ATOM 186 CE2 TYR A 22 83.942 33.580 13.902 1.00 26.40 C ATOM 187 CZ TYR A 22 84.111 34.705 14.667 1.00 26.59 C ATOM 188 OH TYR A 22 85.353 35.234 14.884 1.00 27.74 O ATOM 189 HH TYR A 22 85.273 36.038 15.456 1.00 0.00 H ATOM 190 H TYR A 22 80.614 34.387 11.522 1.00 0.00 H ATOM 191 N GLY A 23 78.301 35.692 14.497 1.00 27.95 N ATOM 192 CA GLY A 23 78.230 36.988 15.131 1.00 27.22 C ATOM 193 C GLY A 23 78.055 36.804 16.624 1.00 27.23 C ATOM 194 O GLY A 23 77.369 35.874 17.082 1.00 26.98 O ATOM 195 H GLY A 23 77.648 34.947 14.812 1.00 0.00 H ATOM 196 N ALA A 24 78.685 37.687 17.386 1.00 25.86 N ATOM 197 CA ALA A 24 78.634 37.605 18.829 1.00 26.45 C ATOM 198 C ALA A 24 78.733 38.986 19.436 1.00 27.06 C ATOM 199 O ALA A 24 79.466 39.839 18.944 1.00 27.03 O ATOM 200 CB ALA A 24 79.759 36.719 19.357 1.00 26.23 C ATOM 201 H ALA A 24 79.226 38.453 16.938 1.00 0.00 H ATOM 202 N ILE A 25 77.988 39.192 20.518 1.00 29.32 N ATOM 203 CA ILE A 25 78.020 40.460 21.243 1.00 30.70 C ATOM 204 C ILE A 25 78.280 40.198 22.724 1.00 28.76 C ATOM 205 O ILE A 25 77.583 39.393 23.353 1.00 28.65 O ATOM 206 CB ILE A 25 76.695 41.233 21.069 1.00 33.35 C ATOM 207 CG1 ILE A 25 76.462 41.539 19.579 1.00 35.06 C ATOM 208 CG2 ILE A 25 76.724 42.529 21.887 1.00 34.60 C ATOM 209 CD1 ILE A 25 75.056 41.980 19.239 1.00 35.98 C ATOM 210 H ILE A 25 77.366 38.430 20.857 1.00 0.00 H ATOM 211 N LEU A 26 79.299 40.873 23.253 1.00 29.37 N ATOM 212 CA LEU A 26 79.641 40.846 24.680 1.00 30.33 C ATOM 213 C LEU A 26 79.216 42.182 25.288 1.00 32.41 C ATOM 214 O LEU A 26 79.493 43.223 24.716 1.00 32.48 O ATOM 215 CB LEU A 26 81.148 40.678 24.892 1.00 30.80 C ATOM 216 CG LEU A 26 81.732 39.264 24.876 1.00 33.43 C ATOM 217 CD1 LEU A 26 81.392 38.556 23.576 1.00 35.29 C ATOM 218 CD2 LEU A 26 83.240 39.298 25.087 1.00 33.51 C ATOM 219 H LEU A 26 79.886 41.452 22.619 1.00 0.00 H ATOM 220 N ARG A 27 78.555 42.144 26.444 1.00 34.72 N ATOM 221 CA ARG A 27 78.141 43.364 27.123 1.00 37.19 C ATOM 222 C ARG A 27 78.483 43.303 28.606 1.00 35.43 C ATOM 223 O ARG A 27 78.121 42.345 29.282 1.00 32.80 O ATOM 224 CB ARG A 27 76.645 43.590 26.939 1.00 40.49 C ATOM 225 CG ARG A 27 76.164 44.945 27.440 1.00 44.67 C ATOM 226 CD ARG A 27 74.853 45.329 26.777 1.00 46.08 C ATOM 227 NE ARG A 27 73.811 44.344 27.045 1.00 48.19 N ATOM 228 CZ ARG A 27 72.636 44.295 26.422 1.00 52.42 C ATOM 229 NH1 ARG A 27 72.335 45.173 25.468 1.00 53.54 N ATOM 230 NH2 ARG A 27 71.753 43.358 26.752 1.00 53.89 N ATOM 231 HE ARG A 27 74.000 43.628 27.776 1.00 0.00 H ATOM 232 HH12 ARG A 27 71.413 45.124 24.988 1.00 0.00 H ATOM 233 HH11 ARG A 27 73.021 45.908 25.202 1.00 0.00 H ATOM 234 HH22 ARG A 27 70.834 43.316 26.268 1.00 0.00 H ATOM 235 HH21 ARG A 27 71.981 42.667 27.495 1.00 0.00 H ATOM 236 H ARG A 27 78.330 41.223 26.871 1.00 0.00 H ATOM 237 N TYR A 28 79.211 44.318 29.082 1.00 37.02 N ATOM 238 CA TYR A 28 79.503 44.484 30.510 1.00 38.29 C ATOM 239 C TYR A 28 79.015 45.852 31.003 1.00 38.55 C ATOM 240 O TYR A 28 79.538 46.888 30.589 1.00 34.98 O ATOM 241 CB TYR A 28 81.009 44.335 30.782 1.00 38.46 C ATOM 242 CG TYR A 28 81.389 44.590 32.225 1.00 39.44 C ATOM 243 CD1 TYR A 28 80.845 43.827 33.252 1.00 38.02 C ATOM 244 CD2 TYR A 28 82.288 45.596 32.561 1.00 42.28 C ATOM 245 CE1 TYR A 28 81.186 44.057 34.572 1.00 40.18 C ATOM 246 CE2 TYR A 28 82.643 45.835 33.882 1.00 42.07 C ATOM 247 CZ TYR A 28 82.091 45.067 34.884 1.00 41.60 C ATOM 248 OH TYR A 28 82.441 45.312 36.197 1.00 41.72 O ATOM 249 HH TYR A 28 81.961 44.679 36.789 1.00 0.00 H ATOM 250 H TYR A 28 79.586 45.019 28.412 1.00 0.00 H ATOM 251 N ARG A 29 78.023 45.829 31.894 1.00 41.15 N ATOM 252 CA ARG A 29 77.425 47.041 32.477 1.00 43.75 C ATOM 253 C ARG A 29 77.060 48.087 31.424 1.00 43.13 C ATOM 254 O ARG A 29 77.365 49.268 31.562 1.00 41.72 O ATOM 255 CB ARG A 29 78.341 47.610 33.572 1.00 47.11 C ATOM 256 CG ARG A 29 78.480 46.632 34.735 1.00 51.65 C ATOM 257 CD ARG A 29 79.298 47.156 35.904 1.00 56.72 C ATOM 258 NE ARG A 29 78.813 48.430 36.440 1.00 60.99 N ATOM 259 CZ ARG A 29 77.666 48.609 37.101 1.00 66.04 C ATOM 260 NH1 ARG A 29 76.819 47.604 37.320 1.00 68.28 N ATOM 261 NH2 ARG A 29 77.356 49.818 37.546 1.00 69.17 N ATOM 262 HE ARG A 29 79.413 49.267 36.293 1.00 0.00 H ATOM 263 HH12 ARG A 29 75.933 47.774 37.838 1.00 0.00 H ATOM 264 HH11 ARG A 29 77.044 46.650 36.973 1.00 0.00 H ATOM 265 HH22 ARG A 29 76.466 49.970 38.062 1.00 0.00 H ATOM 266 HH21 ARG A 29 78.003 50.615 37.379 1.00 0.00 H ATOM 267 H ARG A 29 77.652 44.905 32.193 1.00 0.00 H ATOM 268 N GLY A 30 76.409 47.622 30.363 1.00 43.25 N ATOM 269 CA GLY A 30 75.941 48.489 29.293 1.00 45.24 C ATOM 270 C GLY A 30 76.946 48.816 28.198 1.00 46.29 C ATOM 271 O GLY A 30 76.585 49.472 27.227 1.00 45.39 O ATOM 272 H GLY A 30 76.227 46.600 30.295 1.00 0.00 H ATOM 273 N ARG A 31 78.197 48.374 28.338 1.00 48.88 N ATOM 274 CA ARG A 31 79.216 48.602 27.304 1.00 50.42 C ATOM 275 C ARG A 31 79.410 47.343 26.458 1.00 49.45 C ATOM 276 O ARG A 31 79.570 46.257 27.007 1.00 47.97 O ATOM 277 CB ARG A 31 80.537 49.016 27.946 1.00 54.55 C ATOM 278 CG ARG A 31 80.482 50.374 28.632 1.00 60.42 C ATOM 279 CD ARG A 31 81.757 50.669 29.401 1.00 64.40 C ATOM 280 NE ARG A 31 81.943 49.754 30.525 1.00 73.25 N ATOM 281 CZ ARG A 31 82.988 49.766 31.352 1.00 78.48 C ATOM 282 NH1 ARG A 31 83.969 50.652 31.200 1.00 79.52 N ATOM 283 NH2 ARG A 31 83.052 48.884 32.343 1.00 81.77 N ATOM 284 HE ARG A 31 81.205 49.040 30.692 1.00 0.00 H ATOM 285 HH12 ARG A 31 84.778 50.649 31.853 1.00 0.00 H ATOM 286 HH11 ARG A 31 83.927 51.347 30.428 1.00 0.00 H ATOM 287 HH22 ARG A 31 83.865 48.889 32.991 1.00 0.00 H ATOM 288 HH21 ARG A 31 82.289 48.189 32.470 1.00 0.00 H ATOM 289 H ARG A 31 78.458 47.855 29.201 1.00 0.00 H ATOM 290 N GLU A 32 79.410 47.506 25.129 1.00 48.86 N ATOM 291 CA GLU A 32 79.395 46.381 24.181 1.00 47.81 C ATOM 292 C GLU A 32 80.662 46.246 23.345 1.00 43.85 C ATOM 293 O GLU A 32 81.360 47.223 23.099 1.00 39.23 O ATOM 294 CB GLU A 32 78.230 46.521 23.207 1.00 49.89 C ATOM 295 CG GLU A 32 76.878 46.210 23.809 1.00 55.00 C ATOM 296 CD GLU A 32 75.763 46.199 22.781 1.00 57.03 C ATOM 297 OE1 GLU A 32 76.024 46.502 21.595 1.00 58.54 O ATOM 298 OE2 GLU A 32 74.616 45.881 23.161 1.00 63.34 O ATOM 299 H GLU A 32 79.421 48.474 24.749 1.00 0.00 H ATOM 300 N LYS A 33 80.939 45.013 22.925 1.00 42.30 N ATOM 301 CA LYS A 33 81.893 44.724 21.847 1.00 41.27 C ATOM 302 C LYS A 33 81.356 43.589 20.966 1.00 39.88 C ATOM 303 O LYS A 33 80.709 42.648 21.458 1.00 34.63 O ATOM 304 CB LYS A 33 83.252 44.340 22.398 1.00 44.30 C ATOM 305 CG LYS A 33 84.309 44.177 21.320 1.00 46.47 C ATOM 306 CD LYS A 33 85.674 43.927 21.927 1.00 50.40 C ATOM 307 CE LYS A 33 86.751 43.964 20.855 1.00 53.03 C ATOM 308 NZ LYS A 33 87.995 43.273 21.292 1.00 53.79 N ATOM 309 HZ1 LYS A 33 88.367 43.738 22.144 1.00 0.00 H ATOM 310 HZ2 LYS A 33 87.781 42.278 21.505 1.00 0.00 H ATOM 311 HZ3 LYS A 33 88.703 43.322 20.531 1.00 0.00 H ATOM 312 H LYS A 33 80.455 44.215 23.384 1.00 0.00 H ATOM 313 N THR A 34 81.621 43.692 19.665 1.00 38.53 N ATOM 314 CA THR A 34 81.056 42.765 18.685 1.00 38.37 C ATOM 315 C THR A 34 82.166 41.984 18.017 1.00 36.67 C ATOM 316 O THR A 34 83.275 42.473 17.872 1.00 34.71 O ATOM 317 CB THR A 34 80.236 43.486 17.592 1.00 39.67 C ATOM 318 OG1 THR A 34 81.090 44.353 16.837 1.00 40.68 O ATOM 319 CG2 THR A 34 79.094 44.300 18.215 1.00 41.23 C ATOM 320 HG1 THR A 34 81.806 43.819 16.411 1.00 0.00 H ATOM 321 H THR A 34 82.248 44.454 19.336 1.00 0.00 H ATOM 322 N PHE A 35 81.854 40.756 17.624 1.00 36.13 N ATOM 323 CA PHE A 35 82.805 39.905 16.913 1.00 34.82 C ATOM 324 C PHE A 35 82.060 39.257 15.772 1.00 33.31 C ATOM 325 O PHE A 35 80.883 38.880 15.929 1.00 33.29 O ATOM 326 CB PHE A 35 83.344 38.797 17.819 1.00 34.77 C ATOM 327 CG PHE A 35 84.070 39.297 19.029 1.00 36.25 C ATOM 328 CD1 PHE A 35 83.365 39.762 20.131 1.00 37.82 C ATOM 329 CD2 PHE A 35 85.459 39.287 19.077 1.00 37.84 C ATOM 330 CE1 PHE A 35 84.029 40.233 21.249 1.00 38.72 C ATOM 331 CE2 PHE A 35 86.130 39.738 20.201 1.00 38.40 C ATOM 332 CZ PHE A 35 85.416 40.212 21.285 1.00 39.59 C ATOM 333 H PHE A 35 80.903 40.388 17.828 1.00 0.00 H ATOM 334 N SER A 36 82.732 39.142 14.633 1.00 29.81 N ATOM 335 CA SER A 36 82.230 38.340 13.531 1.00 30.83 C ATOM 336 C SER A 36 83.354 37.997 12.559 1.00 28.44 C ATOM 337 O SER A 36 84.371 38.686 12.488 1.00 27.77 O ATOM 338 CB SER A 36 81.128 39.069 12.764 1.00 30.96 C ATOM 339 OG SER A 36 81.686 40.139 12.039 1.00 31.86 O ATOM 340 HG SER A 36 80.970 40.609 11.543 1.00 0.00 H ATOM 341 H SER A 36 83.640 39.638 14.527 1.00 0.00 H ATOM 342 N ALA A 37 83.135 36.927 11.812 1.00 26.95 N ATOM 343 CA ALA A 37 84.056 36.500 10.769 1.00 26.55 C ATOM 344 C ALA A 37 83.326 35.510 9.874 1.00 24.90 C ATOM 345 O ALA A 37 82.356 34.864 10.299 1.00 23.21 O ATOM 346 CB ALA A 37 85.307 35.864 11.376 1.00 26.45 C ATOM 347 H ALA A 37 82.272 36.370 11.976 1.00 0.00 H ATOM 348 N GLY A 38 83.793 35.422 8.633 1.00 24.83 N ATOM 349 CA GLY A 38 83.132 34.672 7.578 1.00 25.24 C ATOM 350 C GLY A 38 84.081 33.631 7.010 1.00 24.70 C ATOM 351 O GLY A 38 85.264 33.908 6.836 1.00 26.47 O ATOM 352 H GLY A 38 84.679 35.916 8.404 1.00 0.00 H ATOM 353 N TYR A 39 83.534 32.461 6.702 1.00 25.20 N ATOM 354 CA TYR A 39 84.284 31.282 6.259 1.00 25.72 C ATOM 355 C TYR A 39 83.721 30.790 4.919 1.00 26.52 C ATOM 356 O TYR A 39 82.507 30.840 4.701 1.00 27.16 O ATOM 357 CB TYR A 39 84.207 30.181 7.322 1.00 25.44 C ATOM 358 CG TYR A 39 84.846 30.593 8.624 1.00 25.94 C ATOM 359 CD1 TYR A 39 84.163 31.382 9.536 1.00 26.06 C ATOM 360 CD2 TYR A 39 86.149 30.224 8.925 1.00 26.69 C ATOM 361 CE1 TYR A 39 84.764 31.797 10.707 1.00 27.15 C ATOM 362 CE2 TYR A 39 86.756 30.620 10.097 1.00 27.48 C ATOM 363 CZ TYR A 39 86.064 31.408 10.982 1.00 28.33 C ATOM 364 OH TYR A 39 86.668 31.813 12.146 1.00 28.56 O ATOM 365 HH TYR A 39 86.037 32.370 12.667 1.00 0.00 H ATOM 366 H TYR A 39 82.501 32.375 6.781 1.00 0.00 H ATOM 367 N THR A 40 84.597 30.338 4.020 1.00 26.79 N ATOM 368 CA THR A 40 84.202 30.013 2.627 1.00 27.77 C ATOM 369 C THR A 40 83.327 28.767 2.494 1.00 29.93 C ATOM 370 O THR A 40 82.431 28.716 1.629 1.00 30.88 O ATOM 371 CB THR A 40 85.428 29.808 1.729 1.00 28.34 C ATOM 372 OG1 THR A 40 86.397 29.018 2.430 1.00 28.33 O ATOM 373 CG2 THR A 40 86.047 31.144 1.347 1.00 30.61 C ATOM 374 HG1 THR A 40 86.001 28.140 2.660 1.00 0.00 H ATOM 375 H THR A 40 85.589 30.209 4.305 1.00 0.00 H ATOM 376 N ARG A 41 83.604 27.753 3.310 1.00 28.98 N ATOM 377 CA ARG A 41 82.789 26.549 3.308 1.00 31.33 C ATOM 378 C ARG A 41 82.683 25.938 4.697 1.00 30.74 C ATOM 379 O ARG A 41 83.642 25.361 5.228 1.00 29.37 O ATOM 380 CB ARG A 41 83.318 25.504 2.333 1.00 33.62 C ATOM 381 CG ARG A 41 82.315 24.371 2.138 1.00 37.45 C ATOM 382 CD ARG A 41 82.552 23.537 0.895 1.00 40.38 C ATOM 383 NE ARG A 41 83.846 22.869 0.925 1.00 44.66 N ATOM 384 CZ ARG A 41 84.226 21.923 0.072 1.00 48.97 C ATOM 385 NH1 ARG A 41 83.403 21.509 -0.891 1.00 50.05 N ATOM 386 NH2 ARG A 41 85.437 21.386 0.185 1.00 48.54 N ATOM 387 HE ARG A 41 84.519 23.152 1.665 1.00 0.00 H ATOM 388 HH12 ARG A 41 83.709 20.768 -1.554 1.00 0.00 H ATOM 389 HH11 ARG A 41 82.455 21.927 -0.980 1.00 0.00 H ATOM 390 HH22 ARG A 41 85.741 20.645 -0.479 1.00 0.00 H ATOM 391 HH21 ARG A 41 86.080 21.707 0.937 1.00 0.00 H ATOM 392 H ARG A 41 84.414 27.823 3.958 1.00 0.00 H ATOM 393 N THR A 42 81.490 26.038 5.261 1.00 28.31 N ATOM 394 CA THR A 42 81.256 25.583 6.624 1.00 27.71 C ATOM 395 C THR A 42 79.802 25.101 6.749 1.00 29.38 C ATOM 396 O THR A 42 79.119 24.899 5.725 1.00 27.09 O ATOM 397 CB THR A 42 81.622 26.703 7.622 1.00 26.13 C ATOM 398 OG1 THR A 42 81.517 26.225 8.969 1.00 26.57 O ATOM 399 CG2 THR A 42 80.751 27.948 7.428 1.00 26.28 C ATOM 400 HG1 THR A 42 82.136 25.463 9.097 1.00 0.00 H ATOM 401 H THR A 42 80.704 26.450 4.719 1.00 0.00 H ATOM 402 N THR A 43 79.349 24.869 7.981 1.00 28.84 N ATOM 403 CA THR A 43 77.939 24.579 8.254 1.00 29.07 C ATOM 404 C THR A 43 77.369 25.549 9.283 1.00 30.37 C ATOM 405 O THR A 43 78.101 26.176 10.062 1.00 28.05 O ATOM 406 CB THR A 43 77.720 23.159 8.810 1.00 29.54 C ATOM 407 OG1 THR A 43 78.242 23.083 10.135 1.00 28.73 O ATOM 408 CG2 THR A 43 78.385 22.102 7.926 1.00 29.07 C ATOM 409 HG1 THR A 43 78.101 22.170 10.492 1.00 0.00 H ATOM 410 H THR A 43 80.019 24.895 8.776 1.00 0.00 H ATOM 411 N ASN A 44 76.050 25.660 9.277 1.00 29.05 N ATOM 412 CA ASN A 44 75.341 26.511 10.212 1.00 30.64 C ATOM 413 C ASN A 44 75.674 26.143 11.663 1.00 29.28 C ATOM 414 O ASN A 44 75.872 27.025 12.493 1.00 29.24 O ATOM 415 CB ASN A 44 73.836 26.379 9.969 1.00 32.01 C ATOM 416 CG ASN A 44 73.017 27.061 11.036 1.00 34.14 C ATOM 417 OD1 ASN A 44 72.601 26.429 12.002 1.00 37.66 O ATOM 418 ND2 ASN A 44 72.794 28.359 10.879 1.00 35.77 N ATOM 419 HD22 ASN A 44 73.167 28.853 10.043 1.00 0.00 H ATOM 420 HD21 ASN A 44 72.246 28.882 11.592 1.00 0.00 H ATOM 421 H ASN A 44 75.504 25.118 8.577 1.00 0.00 H ATOM 422 N ASN A 45 75.729 24.842 11.944 1.00 27.90 N ATOM 423 CA ASN A 45 75.994 24.345 13.288 1.00 29.75 C ATOM 424 C ASN A 45 77.407 24.664 13.769 1.00 29.80 C ATOM 425 O ASN A 45 77.595 25.063 14.918 1.00 29.06 O ATOM 426 CB ASN A 45 75.738 22.834 13.367 1.00 30.25 C ATOM 427 CG ASN A 45 74.253 22.488 13.333 1.00 33.21 C ATOM 428 OD1 ASN A 45 73.386 23.352 13.503 1.00 34.28 O ATOM 429 ND2 ASN A 45 73.958 21.223 13.117 1.00 34.35 N ATOM 430 HD22 ASN A 45 74.719 20.528 12.979 1.00 0.00 H ATOM 431 HD21 ASN A 45 72.964 20.919 13.085 1.00 0.00 H ATOM 432 H ASN A 45 75.577 24.156 11.177 1.00 0.00 H ATOM 433 N ARG A 46 78.391 24.491 12.893 1.00 27.45 N ATOM 434 CA ARG A 46 79.755 24.885 13.207 1.00 26.78 C ATOM 435 C ARG A 46 79.866 26.383 13.478 1.00 25.70 C ATOM 436 O ARG A 46 80.585 26.784 14.386 1.00 25.28 O ATOM 437 CB ARG A 46 80.735 24.437 12.121 1.00 27.34 C ATOM 438 CG ARG A 46 81.012 22.952 12.169 1.00 28.06 C ATOM 439 CD ARG A 46 81.976 22.509 11.077 1.00 28.42 C ATOM 440 NE ARG A 46 83.313 23.023 11.316 1.00 28.31 N ATOM 441 CZ ARG A 46 84.168 22.532 12.212 1.00 27.29 C ATOM 442 NH1 ARG A 46 85.358 23.092 12.356 1.00 28.13 N ATOM 443 NH2 ARG A 46 83.842 21.499 12.971 1.00 27.08 N ATOM 444 HE ARG A 46 83.626 23.834 10.746 1.00 0.00 H ATOM 445 HH12 ARG A 46 86.030 22.713 13.054 1.00 0.00 H ATOM 446 HH11 ARG A 46 85.622 23.911 11.771 1.00 0.00 H ATOM 447 HH22 ARG A 46 84.522 21.129 13.665 1.00 0.00 H ATOM 448 HH21 ARG A 46 82.906 21.057 12.873 1.00 0.00 H ATOM 449 H ARG A 46 78.182 24.066 11.967 1.00 0.00 H ATOM 450 N MET A 47 79.138 27.205 12.732 1.00 26.08 N ATOM 451 CA MET A 47 79.156 28.654 12.965 1.00 25.79 C ATOM 452 C MET A 47 78.518 29.040 14.309 1.00 28.12 C ATOM 453 O MET A 47 78.944 30.006 14.957 1.00 27.53 O ATOM 454 CB MET A 47 78.476 29.397 11.810 1.00 26.05 C ATOM 455 CG MET A 47 79.273 29.414 10.505 1.00 25.08 C ATOM 456 SD MET A 47 80.873 30.234 10.666 1.00 26.35 S ATOM 457 CE MET A 47 81.960 28.865 11.065 1.00 24.31 C ATOM 458 H MET A 47 78.546 26.816 11.971 1.00 0.00 H ATOM 459 N GLU A 48 77.507 28.285 14.721 1.00 27.51 N ATOM 460 CA GLU A 48 76.864 28.520 16.008 1.00 30.05 C ATOM 461 C GLU A 48 77.834 28.182 17.153 1.00 28.23 C ATOM 462 O GLU A 48 77.944 28.952 18.095 1.00 28.59 O ATOM 463 CB GLU A 48 75.568 27.730 16.132 1.00 33.19 C ATOM 464 CG GLU A 48 74.693 27.834 14.897 1.00 36.09 C ATOM 465 CD GLU A 48 73.311 28.323 15.179 1.00 41.41 C ATOM 466 OE1 GLU A 48 73.146 29.563 15.310 1.00 45.82 O ATOM 467 OE2 GLU A 48 72.398 27.465 15.230 1.00 47.13 O ATOM 468 H GLU A 48 77.167 27.512 14.114 1.00 0.00 H ATOM 469 N LEU A 49 78.555 27.066 17.042 1.00 26.69 N ATOM 470 CA LEU A 49 79.605 26.745 18.012 1.00 27.79 C ATOM 471 C LEU A 49 80.708 27.791 18.028 1.00 27.23 C ATOM 472 O LEU A 49 81.122 28.214 19.112 1.00 26.54 O ATOM 473 CB LEU A 49 80.233 25.378 17.743 1.00 28.24 C ATOM 474 CG LEU A 49 79.408 24.136 18.086 1.00 30.28 C ATOM 475 CD1 LEU A 49 80.142 22.888 17.617 1.00 29.54 C ATOM 476 CD2 LEU A 49 79.151 24.067 19.586 1.00 31.32 C ATOM 477 H LEU A 49 78.369 26.413 16.254 1.00 0.00 H ATOM 478 N MET A 50 81.175 28.197 16.836 1.00 27.31 N ATOM 479 CA MET A 50 82.250 29.204 16.699 1.00 28.99 C ATOM 480 C MET A 50 81.915 30.525 17.376 1.00 26.64 C ATOM 481 O MET A 50 82.780 31.156 17.992 1.00 25.58 O ATOM 482 CB MET A 50 82.578 29.501 15.213 1.00 31.85 C ATOM 483 CG MET A 50 83.780 28.765 14.630 1.00 35.72 C ATOM 484 SD MET A 50 85.302 28.868 15.615 1.00 40.22 S ATOM 485 CE MET A 50 86.073 30.372 15.037 1.00 43.57 C ATOM 486 H MET A 50 80.764 27.786 15.973 1.00 0.00 H ATOM 487 N ALA A 51 80.672 30.970 17.211 1.00 24.64 N ATOM 488 CA ALA A 51 80.210 32.207 17.823 1.00 24.62 C ATOM 489 C ALA A 51 80.390 32.193 19.348 1.00 24.28 C ATOM 490 O ALA A 51 80.874 33.160 19.932 1.00 24.81 O ATOM 491 CB ALA A 51 78.743 32.452 17.477 1.00 24.63 C ATOM 492 H ALA A 51 80.011 30.418 16.628 1.00 0.00 H ATOM 493 N ALA A 52 79.994 31.095 19.984 1.00 24.79 N ATOM 494 CA ALA A 52 80.132 30.956 21.439 1.00 24.25 C ATOM 495 C ALA A 52 81.604 30.852 21.840 1.00 24.06 C ATOM 496 O ALA A 52 82.026 31.451 22.833 1.00 24.22 O ATOM 497 CB ALA A 52 79.358 29.746 21.934 1.00 24.61 C ATOM 498 H ALA A 52 79.576 30.315 19.437 1.00 0.00 H ATOM 499 N ILE A 53 82.376 30.100 21.064 1.00 24.21 N ATOM 500 CA ILE A 53 83.804 29.921 21.337 1.00 24.37 C ATOM 501 C ILE A 53 84.541 31.251 21.348 1.00 24.20 C ATOM 502 O ILE A 53 85.245 31.566 22.309 1.00 23.17 O ATOM 503 CB ILE A 53 84.459 28.958 20.324 1.00 24.92 C ATOM 504 CG1 ILE A 53 83.999 27.532 20.603 1.00 25.06 C ATOM 505 CG2 ILE A 53 85.982 29.026 20.402 1.00 25.70 C ATOM 506 CD1 ILE A 53 84.192 26.586 19.437 1.00 25.66 C ATOM 507 H ILE A 53 81.955 29.625 20.240 1.00 0.00 H ATOM 508 N VAL A 54 84.376 32.016 20.279 1.00 24.37 N ATOM 509 CA VAL A 54 85.085 33.272 20.111 1.00 26.06 C ATOM 510 C VAL A 54 84.688 34.264 21.200 1.00 27.02 C ATOM 511 O VAL A 54 85.546 34.963 21.754 1.00 27.24 O ATOM 512 CB VAL A 54 84.843 33.855 18.699 1.00 27.68 C ATOM 513 CG1 VAL A 54 85.372 35.284 18.588 1.00 28.13 C ATOM 514 CG2 VAL A 54 85.520 32.962 17.671 1.00 27.92 C ATOM 515 H VAL A 54 83.717 31.707 19.536 1.00 0.00 H ATOM 516 N ALA A 55 83.397 34.286 21.525 1.00 26.86 N ATOM 517 CA ALA A 55 82.872 35.163 22.553 1.00 27.66 C ATOM 518 C ALA A 55 83.496 34.863 23.923 1.00 26.97 C ATOM 519 O ALA A 55 83.978 35.768 24.613 1.00 27.24 O ATOM 520 CB ALA A 55 81.350 35.046 22.610 1.00 28.40 C ATOM 521 H ALA A 55 82.742 33.652 21.024 1.00 0.00 H ATOM 522 N LEU A 56 83.501 33.588 24.290 1.00 26.55 N ATOM 523 CA LEU A 56 84.038 33.149 25.573 1.00 26.26 C ATOM 524 C LEU A 56 85.558 33.308 25.651 1.00 27.00 C ATOM 525 O LEU A 56 86.085 33.763 26.668 1.00 27.73 O ATOM 526 CB LEU A 56 83.629 31.704 25.842 1.00 25.79 C ATOM 527 CG LEU A 56 82.131 31.534 26.133 1.00 26.50 C ATOM 528 CD1 LEU A 56 81.677 30.090 25.978 1.00 27.12 C ATOM 529 CD2 LEU A 56 81.769 32.033 27.521 1.00 27.48 C ATOM 530 H LEU A 56 83.108 32.877 23.640 1.00 0.00 H ATOM 531 N GLU A 57 86.262 32.968 24.573 1.00 26.85 N ATOM 532 CA GLU A 57 87.727 33.102 24.551 1.00 27.58 C ATOM 533 C GLU A 57 88.205 34.555 24.598 1.00 28.38 C ATOM 534 O GLU A 57 89.352 34.812 24.951 1.00 28.15 O ATOM 535 CB GLU A 57 88.318 32.398 23.336 1.00 28.17 C ATOM 536 CG GLU A 57 88.233 30.875 23.420 1.00 28.72 C ATOM 537 CD GLU A 57 88.784 30.171 22.188 1.00 30.17 C ATOM 538 OE1 GLU A 57 89.009 30.825 21.143 1.00 30.70 O ATOM 539 OE2 GLU A 57 88.997 28.938 22.253 1.00 31.06 O ATOM 540 H GLU A 57 85.769 32.602 23.734 1.00 0.00 H ATOM 541 N ALA A 58 87.336 35.501 24.255 1.00 29.40 N ATOM 542 CA ALA A 58 87.687 36.927 24.309 1.00 31.35 C ATOM 543 C ALA A 58 87.775 37.472 25.743 1.00 31.62 C ATOM 544 O ALA A 58 88.362 38.539 25.969 1.00 31.62 O ATOM 545 CB ALA A 58 86.689 37.746 23.506 1.00 31.11 C ATOM 546 H ALA A 58 86.384 35.225 23.941 1.00 0.00 H ATOM 547 N LEU A 59 87.210 36.743 26.705 1.00 31.36 N ATOM 548 CA LEU A 59 87.194 37.189 28.099 1.00 31.41 C ATOM 549 C LEU A 59 88.572 37.044 28.733 1.00 33.53 C ATOM 550 O LEU A 59 89.195 35.983 28.638 1.00 31.72 O ATOM 551 CB LEU A 59 86.154 36.414 28.898 1.00 30.46 C ATOM 552 CG LEU A 59 84.696 36.570 28.460 1.00 30.67 C ATOM 553 CD1 LEU A 59 83.811 35.644 29.274 1.00 30.95 C ATOM 554 CD2 LEU A 59 84.220 38.014 28.588 1.00 31.75 C ATOM 555 H LEU A 59 86.769 35.834 26.459 1.00 0.00 H ATOM 556 N LYS A 60 89.017 38.104 29.411 1.00 35.49 N ATOM 557 CA LYS A 60 90.414 38.236 29.894 1.00 36.77 C ATOM 558 C LYS A 60 90.573 37.784 31.342 1.00 34.54 C ATOM 559 O LYS A 60 91.685 37.755 31.868 1.00 32.71 O ATOM 560 CB LYS A 60 90.896 39.692 29.814 1.00 40.03 C ATOM 561 CG LYS A 60 90.181 40.548 28.786 1.00 45.19 C ATOM 562 CD LYS A 60 91.026 40.891 27.580 1.00 48.18 C ATOM 563 CE LYS A 60 91.576 42.302 27.679 1.00 50.67 C ATOM 564 NZ LYS A 60 91.894 42.802 26.317 1.00 55.54 N ATOM 565 HZ1 LYS A 60 92.604 42.181 25.878 1.00 0.00 H ATOM 566 HZ2 LYS A 60 91.029 42.805 25.739 1.00 0.00 H ATOM 567 HZ3 LYS A 60 92.271 43.769 26.383 1.00 0.00 H ATOM 568 H LYS A 60 88.351 38.877 29.611 1.00 0.00 H ATOM 569 N GLU A 61 89.457 37.468 31.989 1.00 33.54 N ATOM 570 CA GLU A 61 89.457 36.990 33.359 1.00 33.61 C ATOM 571 C GLU A 61 88.213 36.155 33.550 1.00 32.72 C ATOM 572 O GLU A 61 87.292 36.270 32.738 1.00 31.18 O ATOM 573 CB GLU A 61 89.440 38.177 34.326 1.00 36.39 C ATOM 574 CG GLU A 61 88.238 39.093 34.148 1.00 38.74 C ATOM 575 CD GLU A 61 88.234 40.262 35.119 1.00 41.62 C ATOM 576 OE1 GLU A 61 88.845 41.296 34.801 1.00 41.34 O ATOM 577 OE2 GLU A 61 87.603 40.148 36.189 1.00 42.61 O ATOM 578 H GLU A 61 88.548 37.567 31.494 1.00 0.00 H ATOM 579 N HIS A 62 88.160 35.356 34.623 1.00 32.79 N ATOM 580 CA HIS A 62 86.945 34.596 34.966 1.00 34.80 C ATOM 581 C HIS A 62 85.752 35.525 35.199 1.00 34.71 C ATOM 582 O HIS A 62 85.872 36.492 35.933 1.00 34.19 O ATOM 583 CB HIS A 62 87.101 33.768 36.254 1.00 37.01 C ATOM 584 CG HIS A 62 88.326 32.910 36.310 1.00 40.06 C ATOM 585 ND1 HIS A 62 88.412 31.682 35.685 1.00 40.92 N ATOM 586 CD2 HIS A 62 89.498 33.080 36.970 1.00 40.55 C ATOM 587 CE1 HIS A 62 89.592 31.143 35.942 1.00 42.77 C ATOM 588 NE2 HIS A 62 90.269 31.970 36.722 1.00 42.35 N ATOM 589 H HIS A 62 88.999 35.269 35.231 1.00 0.00 H ATOM 590 N CYS A 63 84.581 35.159 34.669 1.00 33.27 N ATOM 591 CA CYS A 63 83.377 35.992 34.734 1.00 31.12 C ATOM 592 C CYS A 63 82.156 35.119 34.973 1.00 30.81 C ATOM 593 O CYS A 63 82.192 33.903 34.753 1.00 31.27 O ATOM 594 CB CYS A 63 83.138 36.749 33.426 1.00 30.44 C ATOM 595 SG CYS A 63 84.372 37.970 32.962 1.00 31.88 S ATOM 596 H CYS A 63 84.521 34.239 34.187 1.00 0.00 H ATOM 597 N GLU A 64 81.072 35.752 35.416 1.00 28.68 N ATOM 598 CA GLU A 64 79.748 35.145 35.360 1.00 29.34 C ATOM 599 C GLU A 64 79.178 35.523 33.994 1.00 29.92 C ATOM 600 O GLU A 64 79.144 36.702 33.636 1.00 30.96 O ATOM 601 CB GLU A 64 78.837 35.656 36.491 1.00 29.62 C ATOM 602 CG GLU A 64 77.507 34.922 36.593 1.00 29.10 C ATOM 603 CD GLU A 64 76.496 35.607 37.499 1.00 30.16 C ATOM 604 OE1 GLU A 64 75.649 34.893 38.069 1.00 30.93 O ATOM 605 OE2 GLU A 64 76.526 36.849 37.634 1.00 29.56 O ATOM 606 H GLU A 64 81.173 36.708 35.814 1.00 0.00 H ATOM 607 N VAL A 65 78.763 34.526 33.217 1.00 30.29 N ATOM 608 CA VAL A 65 78.286 34.779 31.860 1.00 30.23 C ATOM 609 C VAL A 65 76.831 34.374 31.712 1.00 31.08 C ATOM 610 O VAL A 65 76.449 33.233 32.022 1.00 32.76 O ATOM 611 CB VAL A 65 79.116 34.014 30.812 1.00 31.92 C ATOM 612 CG1 VAL A 65 78.575 34.245 29.408 1.00 31.56 C ATOM 613 CG2 VAL A 65 80.580 34.421 30.888 1.00 31.86 C ATOM 614 H VAL A 65 78.778 33.552 33.581 1.00 0.00 H ATOM 615 N ILE A 66 76.026 35.316 31.228 1.00 31.43 N ATOM 616 CA ILE A 66 74.667 35.033 30.808 1.00 32.20 C ATOM 617 C ILE A 66 74.738 34.846 29.286 1.00 30.48 C ATOM 618 O ILE A 66 74.877 35.807 28.552 1.00 29.44 O ATOM 619 CB ILE A 66 73.703 36.193 31.142 1.00 33.68 C ATOM 620 CG1 ILE A 66 73.958 36.757 32.557 1.00 35.05 C ATOM 621 CG2 ILE A 66 72.260 35.728 30.989 1.00 34.52 C ATOM 622 CD1 ILE A 66 73.899 35.733 33.665 1.00 36.08 C ATOM 623 H ILE A 66 76.384 36.289 31.148 1.00 0.00 H ATOM 624 N LEU A 67 74.676 33.607 28.825 1.00 30.28 N ATOM 625 CA LEU A 67 74.933 33.318 27.420 1.00 31.90 C ATOM 626 C LEU A 67 73.611 33.031 26.700 1.00 31.92 C ATOM 627 O LEU A 67 72.944 32.047 26.997 1.00 31.55 O ATOM 628 CB LEU A 67 75.912 32.148 27.306 1.00 32.53 C ATOM 629 CG LEU A 67 76.763 32.142 26.039 1.00 34.76 C ATOM 630 CD1 LEU A 67 77.879 31.123 26.170 1.00 36.54 C ATOM 631 CD2 LEU A 67 75.909 31.848 24.820 1.00 36.68 C ATOM 632 H LEU A 67 74.441 32.829 29.474 1.00 0.00 H ATOM 633 N SER A 68 73.239 33.903 25.766 1.00 33.77 N ATOM 634 CA SER A 68 71.944 33.815 25.092 1.00 35.45 C ATOM 635 C SER A 68 72.081 33.376 23.641 1.00 33.94 C ATOM 636 O SER A 68 72.756 34.021 22.859 1.00 32.89 O ATOM 637 CB SER A 68 71.246 35.170 25.150 1.00 39.11 C ATOM 638 OG SER A 68 69.959 35.099 24.569 1.00 44.55 O ATOM 639 HG SER A 68 69.526 35.988 24.618 1.00 0.00 H ATOM 640 H SER A 68 73.890 34.672 25.507 1.00 0.00 H ATOM 641 N THR A 69 71.426 32.275 23.288 1.00 36.38 N ATOM 642 CA THR A 69 71.537 31.716 21.955 1.00 37.62 C ATOM 643 C THR A 69 70.239 31.024 21.548 1.00 39.92 C ATOM 644 O THR A 69 69.576 30.371 22.376 1.00 38.28 O ATOM 645 CB THR A 69 72.737 30.739 21.856 1.00 37.95 C ATOM 646 OG1 THR A 69 72.781 30.139 20.561 1.00 40.14 O ATOM 647 CG2 THR A 69 72.643 29.645 22.882 1.00 38.96 C ATOM 648 HG1 THR A 69 72.881 30.845 19.875 1.00 0.00 H ATOM 649 H THR A 69 70.818 31.802 23.986 1.00 0.00 H ATOM 650 N ASP A 70 69.900 31.170 20.265 1.00 40.39 N ATOM 651 CA ASP A 70 68.707 30.577 19.670 1.00 42.82 C ATOM 652 C ASP A 70 69.001 29.177 19.110 1.00 42.67 C ATOM 653 O ASP A 70 68.113 28.518 18.566 1.00 43.62 O ATOM 654 CB ASP A 70 68.203 31.503 18.554 1.00 45.33 C ATOM 655 CG ASP A 70 66.828 31.120 18.038 1.00 48.21 C ATOM 656 OD1 ASP A 70 66.099 30.395 18.746 1.00 50.47 O ATOM 657 OD2 ASP A 70 66.477 31.551 16.919 1.00 51.29 O ATOM 658 H ASP A 70 70.521 31.739 19.655 1.00 0.00 H ATOM 659 N SER A 71 70.248 28.729 19.247 1.00 40.89 N ATOM 660 CA SER A 71 70.706 27.477 18.650 1.00 40.28 C ATOM 661 C SER A 71 70.255 26.205 19.354 1.00 40.02 C ATOM 662 O SER A 71 70.702 25.906 20.461 1.00 41.17 O ATOM 663 CB SER A 71 72.242 27.467 18.566 1.00 39.04 C ATOM 664 OG SER A 71 72.702 26.225 18.048 1.00 38.39 O ATOM 665 HG SER A 71 72.328 26.088 17.142 1.00 0.00 H ATOM 666 H SER A 71 70.923 29.294 19.802 1.00 0.00 H ATOM 667 N GLN A 72 69.432 25.412 18.668 1.00 40.69 N ATOM 668 CA GLN A 72 68.963 24.129 19.198 1.00 40.99 C ATOM 669 C GLN A 72 70.095 23.114 19.237 1.00 39.07 C ATOM 670 O GLN A 72 70.128 22.247 20.103 1.00 39.38 O ATOM 671 CB GLN A 72 67.821 23.547 18.351 1.00 42.97 C ATOM 672 CG GLN A 72 66.687 24.507 18.037 1.00 45.30 C ATOM 673 CD GLN A 72 66.827 25.137 16.665 1.00 46.75 C ATOM 674 OE1 GLN A 72 67.916 25.560 16.271 1.00 46.64 O ATOM 675 NE2 GLN A 72 65.721 25.207 15.930 1.00 48.12 N ATOM 676 HE22 GLN A 72 64.824 24.837 16.304 1.00 0.00 H ATOM 677 HE21 GLN A 72 65.753 25.632 14.981 1.00 0.00 H ATOM 678 H GLN A 72 69.112 25.714 17.726 1.00 0.00 H ATOM 679 N TYR A 73 71.010 23.208 18.272 1.00 36.16 N ATOM 680 CA TYR A 73 72.167 22.309 18.218 1.00 32.18 C ATOM 681 C TYR A 73 73.076 22.512 19.448 1.00 31.72 C ATOM 682 O TYR A 73 73.449 21.549 20.119 1.00 33.90 O ATOM 683 CB TYR A 73 72.958 22.539 16.905 1.00 31.31 C ATOM 684 CG TYR A 73 74.176 21.650 16.740 1.00 30.34 C ATOM 685 CD1 TYR A 73 74.041 20.294 16.459 1.00 29.40 C ATOM 686 CD2 TYR A 73 75.464 22.167 16.864 1.00 30.57 C ATOM 687 CE1 TYR A 73 75.153 19.473 16.326 1.00 29.84 C ATOM 688 CE2 TYR A 73 76.581 21.362 16.702 1.00 30.04 C ATOM 689 CZ TYR A 73 76.425 20.016 16.441 1.00 30.57 C ATOM 690 OH TYR A 73 77.541 19.221 16.285 1.00 30.70 O ATOM 691 HH TYR A 73 77.259 18.289 16.105 1.00 0.00 H ATOM 692 H TYR A 73 70.900 23.937 17.539 1.00 0.00 H ATOM 693 N VAL A 74 73.417 23.763 19.745 1.00 32.40 N ATOM 694 CA VAL A 74 74.245 24.070 20.915 1.00 34.02 C ATOM 695 C VAL A 74 73.505 23.654 22.200 1.00 33.63 C ATOM 696 O VAL A 74 74.068 22.980 23.067 1.00 30.37 O ATOM 697 CB VAL A 74 74.625 25.563 20.994 1.00 33.52 C ATOM 698 CG1 VAL A 74 75.374 25.848 22.286 1.00 32.90 C ATOM 699 CG2 VAL A 74 75.488 25.962 19.806 1.00 34.25 C ATOM 700 H VAL A 74 73.090 24.539 19.135 1.00 0.00 H ATOM 701 N ARG A 75 72.237 24.032 22.297 1.00 36.30 N ATOM 702 CA ARG A 75 71.412 23.588 23.425 1.00 40.29 C ATOM 703 C ARG A 75 71.481 22.084 23.601 1.00 38.90 C ATOM 704 O ARG A 75 71.755 21.583 24.694 1.00 38.22 O ATOM 705 CB ARG A 75 69.957 24.015 23.256 1.00 43.34 C ATOM 706 CG ARG A 75 69.085 23.598 24.432 1.00 48.46 C ATOM 707 CD ARG A 75 67.719 24.253 24.390 1.00 51.76 C ATOM 708 NE ARG A 75 66.954 23.947 25.600 1.00 57.73 N ATOM 709 CZ ARG A 75 65.745 24.433 25.881 1.00 60.66 C ATOM 710 NH1 ARG A 75 65.128 25.258 25.037 1.00 61.93 N ATOM 711 NH2 ARG A 75 65.151 24.090 27.019 1.00 63.86 N ATOM 712 HE ARG A 75 67.386 23.302 26.292 1.00 0.00 H ATOM 713 HH12 ARG A 75 64.185 25.630 25.269 1.00 0.00 H ATOM 714 HH11 ARG A 75 65.589 25.531 24.146 1.00 0.00 H ATOM 715 HH22 ARG A 75 64.208 24.464 27.247 1.00 0.00 H ATOM 716 HH21 ARG A 75 65.629 23.447 27.682 1.00 0.00 H ATOM 717 H ARG A 75 71.825 24.648 21.567 1.00 0.00 H ATOM 718 N GLN A 76 71.254 21.359 22.516 1.00 38.79 N ATOM 719 CA GLN A 76 71.187 19.918 22.595 1.00 37.96 C ATOM 720 C GLN A 76 72.514 19.312 23.029 1.00 38.62 C ATOM 721 O GLN A 76 72.539 18.333 23.783 1.00 39.34 O ATOM 722 CB GLN A 76 70.729 19.321 21.254 1.00 40.69 C ATOM 723 CG GLN A 76 70.399 17.844 21.363 1.00 40.15 C ATOM 724 CD GLN A 76 69.760 17.255 20.114 1.00 40.90 C ATOM 725 OE1 GLN A 76 69.470 17.957 19.143 1.00 39.85 O ATOM 726 NE2 GLN A 76 69.535 15.946 20.143 1.00 41.04 N ATOM 727 HE22 GLN A 76 69.796 15.392 20.984 1.00 0.00 H ATOM 728 HE21 GLN A 76 69.098 15.475 19.325 1.00 0.00 H ATOM 729 H GLN A 76 71.123 21.831 21.599 1.00 0.00 H ATOM 730 N GLY A 77 73.622 19.886 22.564 1.00 38.29 N ATOM 731 CA GLY A 77 74.938 19.402 22.956 1.00 38.19 C ATOM 732 C GLY A 77 75.291 19.722 24.391 1.00 38.21 C ATOM 733 O GLY A 77 75.816 18.872 25.111 1.00 39.43 O ATOM 734 H GLY A 77 73.546 20.692 21.911 1.00 0.00 H ATOM 735 N ILE A 78 75.018 20.954 24.808 1.00 39.10 N ATOM 736 CA ILE A 78 75.297 21.376 26.189 1.00 39.41 C ATOM 737 C ILE A 78 74.454 20.577 27.185 1.00 40.85 C ATOM 738 O ILE A 78 74.960 20.107 28.194 1.00 42.45 O ATOM 739 CB ILE A 78 75.018 22.881 26.406 1.00 38.46 C ATOM 740 CG1 ILE A 78 75.963 23.751 25.559 1.00 37.52 C ATOM 741 CG2 ILE A 78 75.120 23.258 27.887 1.00 37.53 C ATOM 742 CD1 ILE A 78 77.431 23.592 25.891 1.00 38.09 C ATOM 743 H ILE A 78 74.598 21.635 24.143 1.00 0.00 H ATOM 744 N THR A 79 73.166 20.442 26.910 1.00 45.71 N ATOM 745 CA THR A 79 72.268 19.799 27.866 1.00 47.81 C ATOM 746 C THR A 79 72.369 18.281 27.838 1.00 49.17 C ATOM 747 O THR A 79 72.352 17.663 28.893 1.00 49.20 O ATOM 748 CB THR A 79 70.805 20.223 27.660 1.00 48.42 C ATOM 749 OG1 THR A 79 70.392 19.892 26.335 1.00 54.38 O ATOM 750 CG2 THR A 79 70.637 21.721 27.878 1.00 49.76 C ATOM 751 HG1 THR A 79 70.967 20.366 25.683 1.00 0.00 H ATOM 752 H THR A 79 72.791 20.796 26.007 1.00 0.00 H ATOM 753 N GLN A 80 72.510 17.685 26.649 1.00 49.09 N ATOM 754 CA GLN A 80 72.368 16.227 26.483 1.00 49.69 C ATOM 755 C GLN A 80 73.653 15.419 26.219 1.00 50.98 C ATOM 756 O GLN A 80 73.756 14.295 26.698 1.00 54.77 O ATOM 757 CB GLN A 80 71.352 15.915 25.367 1.00 49.02 C ATOM 758 CG GLN A 80 70.022 16.647 25.505 1.00 49.01 C ATOM 759 CD GLN A 80 69.096 16.439 24.321 1.00 50.35 C ATOM 760 OE1 GLN A 80 69.334 15.587 23.460 1.00 50.19 O ATOM 761 NE2 GLN A 80 68.034 17.233 24.261 1.00 52.46 N ATOM 762 HE22 GLN A 80 67.869 17.938 25.007 1.00 0.00 H ATOM 763 HE21 GLN A 80 67.367 17.150 23.468 1.00 0.00 H ATOM 764 H GLN A 80 72.727 18.268 25.816 1.00 0.00 H ATOM 765 N TRP A 81 74.613 15.951 25.457 1.00 48.83 N ATOM 766 CA TRP A 81 75.751 15.131 24.991 1.00 47.84 C ATOM 767 C TRP A 81 77.084 15.360 25.703 1.00 48.60 C ATOM 768 O TRP A 81 77.905 14.447 25.788 1.00 50.92 O ATOM 769 CB TRP A 81 76.006 15.331 23.492 1.00 47.22 C ATOM 770 CG TRP A 81 74.806 15.293 22.618 1.00 46.06 C ATOM 771 CD1 TRP A 81 73.681 14.555 22.799 1.00 47.14 C ATOM 772 CD2 TRP A 81 74.626 16.013 21.396 1.00 46.25 C ATOM 773 NE1 TRP A 81 72.797 14.784 21.770 1.00 48.35 N ATOM 774 CE2 TRP A 81 73.356 15.680 20.897 1.00 46.25 C ATOM 775 CE3 TRP A 81 75.417 16.922 20.679 1.00 47.41 C ATOM 776 CZ2 TRP A 81 72.856 16.214 19.708 1.00 46.41 C ATOM 777 CZ3 TRP A 81 74.920 17.455 19.497 1.00 46.25 C ATOM 778 CH2 TRP A 81 73.651 17.098 19.024 1.00 45.88 C ATOM 779 HE1 TRP A 81 71.858 14.348 21.671 1.00 0.00 H ATOM 780 H TRP A 81 74.559 16.954 25.189 1.00 0.00 H ATOM 781 N ILE A 82 77.332 16.575 26.169 1.00 50.32 N ATOM 782 CA ILE A 82 78.666 16.920 26.674 1.00 54.21 C ATOM 783 C ILE A 82 79.125 16.025 27.840 1.00 54.49 C ATOM 784 O ILE A 82 80.290 15.620 27.894 1.00 50.76 O ATOM 785 CB ILE A 82 78.754 18.416 27.064 1.00 57.09 C ATOM 786 CG1 ILE A 82 80.194 18.808 27.396 1.00 60.35 C ATOM 787 CG2 ILE A 82 77.834 18.748 28.236 1.00 58.51 C ATOM 788 CD1 ILE A 82 81.100 18.860 26.190 1.00 61.42 C ATOM 789 H ILE A 82 76.576 17.289 26.177 1.00 0.00 H ATOM 790 N HIS A 83 78.196 15.697 28.741 1.00 55.01 N ATOM 791 CA HIS A 83 78.505 14.902 29.927 1.00 55.44 C ATOM 792 C HIS A 83 78.951 13.497 29.526 1.00 53.71 C ATOM 793 O HIS A 83 79.984 13.010 29.990 1.00 54.85 O ATOM 794 CB HIS A 83 77.288 14.848 30.859 1.00 57.66 C ATOM 795 CG HIS A 83 76.806 16.200 31.299 1.00 59.18 C ATOM 796 ND1 HIS A 83 75.913 16.948 30.562 1.00 60.55 N ATOM 797 CD2 HIS A 83 77.104 16.943 32.390 1.00 59.51 C ATOM 798 CE1 HIS A 83 75.679 18.090 31.180 1.00 59.27 C ATOM 799 NE2 HIS A 83 76.387 18.111 32.294 1.00 59.50 N ATOM 800 H HIS A 83 77.218 16.019 28.593 1.00 0.00 H ATOM 801 N ASN A 84 78.166 12.859 28.659 1.00 52.70 N ATOM 802 CA ASN A 84 78.519 11.550 28.102 1.00 55.01 C ATOM 803 C ASN A 84 79.889 11.538 27.442 1.00 56.50 C ATOM 804 O ASN A 84 80.684 10.617 27.645 1.00 55.59 O ATOM 805 CB ASN A 84 77.515 11.130 27.023 1.00 57.08 C ATOM 806 CG ASN A 84 76.196 10.617 27.577 1.00 59.66 C ATOM 807 OD1 ASN A 84 75.214 10.556 26.834 1.00 61.21 O ATOM 808 ND2 ASN A 84 76.157 10.229 28.857 1.00 58.67 N ATOM 809 HD22 ASN A 84 77.010 10.298 29.448 1.00 0.00 H ATOM 810 HD21 ASN A 84 75.273 9.858 29.261 1.00 0.00 H ATOM 811 H ASN A 84 77.273 13.305 28.368 1.00 0.00 H ATOM 812 N TRP A 85 80.143 12.548 26.617 1.00 54.54 N ATOM 813 CA TRP A 85 81.399 12.628 25.880 1.00 55.07 C ATOM 814 C TRP A 85 82.618 12.640 26.795 1.00 55.05 C ATOM 815 O TRP A 85 83.577 11.904 26.564 1.00 53.71 O ATOM 816 CB TRP A 85 81.416 13.862 24.982 1.00 53.15 C ATOM 817 CG TRP A 85 80.444 13.793 23.845 1.00 52.16 C ATOM 818 CD1 TRP A 85 79.854 12.676 23.327 1.00 52.90 C ATOM 819 CD2 TRP A 85 79.981 14.891 23.056 1.00 52.55 C ATOM 820 NE1 TRP A 85 79.036 13.015 22.276 1.00 53.12 N ATOM 821 CE2 TRP A 85 79.101 14.369 22.084 1.00 53.15 C ATOM 822 CE3 TRP A 85 80.222 16.268 23.077 1.00 51.82 C ATOM 823 CZ2 TRP A 85 78.458 15.178 21.144 1.00 52.50 C ATOM 824 CZ3 TRP A 85 79.587 17.069 22.146 1.00 51.55 C ATOM 825 CH2 TRP A 85 78.715 16.524 21.193 1.00 53.14 C ATOM 826 HE1 TRP A 85 78.462 12.352 21.718 1.00 0.00 H ATOM 827 H TRP A 85 79.432 13.297 26.494 1.00 0.00 H ATOM 828 N LYS A 86 82.579 13.469 27.831 1.00 58.58 N ATOM 829 CA LYS A 86 83.700 13.566 28.765 1.00 60.80 C ATOM 830 C LYS A 86 83.930 12.240 29.503 1.00 63.22 C ATOM 831 O LYS A 86 85.057 11.909 29.870 1.00 66.07 O ATOM 832 CB LYS A 86 83.470 14.714 29.748 1.00 61.92 C ATOM 833 CG LYS A 86 83.493 16.081 29.078 1.00 63.49 C ATOM 834 CD LYS A 86 83.268 17.222 30.060 1.00 65.33 C ATOM 835 CE LYS A 86 84.473 17.473 30.957 1.00 67.25 C ATOM 836 NZ LYS A 86 85.699 17.868 30.206 1.00 68.74 N ATOM 837 HZ1 LYS A 86 85.956 17.110 29.542 1.00 0.00 H ATOM 838 HZ2 LYS A 86 85.514 18.745 29.679 1.00 0.00 H ATOM 839 HZ3 LYS A 86 86.479 18.023 30.876 1.00 0.00 H ATOM 840 H LYS A 86 81.736 14.060 27.981 1.00 0.00 H ATOM 841 N LYS A 87 82.854 11.482 29.689 1.00 64.15 N ATOM 842 CA LYS A 87 82.908 10.155 30.292 1.00 64.73 C ATOM 843 C LYS A 87 83.435 9.095 29.321 1.00 65.09 C ATOM 844 O LYS A 87 84.111 8.155 29.740 1.00 63.08 O ATOM 845 CB LYS A 87 81.506 9.775 30.776 1.00 67.75 C ATOM 846 CG LYS A 87 81.415 8.505 31.606 1.00 70.30 C ATOM 847 CD LYS A 87 80.160 8.498 32.474 1.00 72.66 C ATOM 848 CE LYS A 87 78.885 8.649 31.657 1.00 74.02 C ATOM 849 NZ LYS A 87 77.685 8.728 32.531 1.00 76.40 N ATOM 850 HZ1 LYS A 87 77.613 7.859 33.098 1.00 0.00 H ATOM 851 HZ2 LYS A 87 77.771 9.550 33.163 1.00 0.00 H ATOM 852 HZ3 LYS A 87 76.834 8.830 31.941 1.00 0.00 H ATOM 853 H LYS A 87 81.929 11.853 29.390 1.00 0.00 H ATOM 854 N ARG A 88 83.124 9.249 28.031 1.00 65.90 N ATOM 855 CA ARG A 88 83.496 8.269 26.998 1.00 65.27 C ATOM 856 C ARG A 88 84.751 8.616 26.184 1.00 63.26 C ATOM 857 O ARG A 88 85.056 7.927 25.207 1.00 62.69 O ATOM 858 CB ARG A 88 82.334 8.075 26.018 1.00 66.23 C ATOM 859 CG ARG A 88 81.106 7.432 26.628 1.00 69.16 C ATOM 860 CD ARG A 88 80.245 6.770 25.565 1.00 70.97 C ATOM 861 NE ARG A 88 78.864 6.633 26.019 1.00 73.47 N ATOM 862 CZ ARG A 88 77.869 7.472 25.726 1.00 76.48 C ATOM 863 NH1 ARG A 88 78.067 8.537 24.953 1.00 75.44 N ATOM 864 NH2 ARG A 88 76.653 7.236 26.207 1.00 77.69 N ATOM 865 HE ARG A 88 78.638 5.815 26.620 1.00 0.00 H ATOM 866 HH12 ARG A 88 77.276 9.178 24.738 1.00 0.00 H ATOM 867 HH11 ARG A 88 79.012 8.729 24.564 1.00 0.00 H ATOM 868 HH22 ARG A 88 75.871 7.884 25.984 1.00 0.00 H ATOM 869 HH21 ARG A 88 76.483 6.403 26.806 1.00 0.00 H ATOM 870 H ARG A 88 82.596 10.098 27.744 1.00 0.00 H ATOM 871 N GLY A 89 85.468 9.672 26.561 1.00 59.63 N ATOM 872 CA GLY A 89 86.662 10.083 25.817 1.00 57.64 C ATOM 873 C GLY A 89 86.356 10.709 24.462 1.00 56.05 C ATOM 874 O GLY A 89 87.083 10.487 23.494 1.00 56.75 O ATOM 875 H GLY A 89 85.176 10.215 27.398 1.00 0.00 H ATOM 876 N TRP A 90 85.284 11.499 24.407 1.00 51.10 N ATOM 877 CA TRP A 90 84.853 12.193 23.189 1.00 48.78 C ATOM 878 C TRP A 90 84.611 11.247 22.013 1.00 48.88 C ATOM 879 O TRP A 90 84.945 11.562 20.866 1.00 47.20 O ATOM 880 CB TRP A 90 85.851 13.298 22.828 1.00 47.27 C ATOM 881 CG TRP A 90 85.973 14.280 23.923 1.00 44.93 C ATOM 882 CD1 TRP A 90 86.832 14.221 24.977 1.00 45.59 C ATOM 883 CD2 TRP A 90 85.175 15.452 24.118 1.00 43.20 C ATOM 884 NE1 TRP A 90 86.637 15.294 25.810 1.00 44.91 N ATOM 885 CE2 TRP A 90 85.622 16.065 25.308 1.00 43.41 C ATOM 886 CE3 TRP A 90 84.134 16.048 23.400 1.00 42.86 C ATOM 887 CZ2 TRP A 90 85.073 17.253 25.793 1.00 41.84 C ATOM 888 CZ3 TRP A 90 83.578 17.233 23.889 1.00 42.44 C ATOM 889 CH2 TRP A 90 84.054 17.818 25.076 1.00 40.96 C ATOM 890 HE1 TRP A 90 87.172 15.490 26.680 1.00 0.00 H ATOM 891 H TRP A 90 84.724 11.630 25.273 1.00 0.00 H ATOM 892 N LYS A 91 84.024 10.093 22.326 1.00 48.51 N ATOM 893 CA LYS A 91 83.666 9.078 21.340 1.00 50.18 C ATOM 894 C LYS A 91 82.174 8.810 21.398 1.00 50.07 C ATOM 895 O LYS A 91 81.548 8.952 22.441 1.00 48.81 O ATOM 896 CB LYS A 91 84.379 7.757 21.634 1.00 52.48 C ATOM 897 CG LYS A 91 85.889 7.822 21.584 1.00 53.48 C ATOM 898 CD LYS A 91 86.389 8.033 20.166 1.00 55.07 C ATOM 899 CE LYS A 91 87.903 7.984 20.113 1.00 56.57 C ATOM 900 NZ LYS A 91 88.532 9.053 20.939 1.00 56.63 N ATOM 901 HZ1 LYS A 91 88.227 9.984 20.590 1.00 0.00 H ATOM 902 HZ2 LYS A 91 88.240 8.940 21.931 1.00 0.00 H ATOM 903 HZ3 LYS A 91 89.567 8.978 20.871 1.00 0.00 H ATOM 904 H LYS A 91 83.809 9.905 23.326 1.00 0.00 H ATOM 905 N THR A 92 81.611 8.398 20.273 1.00 53.48 N ATOM 906 CA THR A 92 80.219 7.991 20.233 1.00 57.85 C ATOM 907 C THR A 92 80.065 6.697 21.034 1.00 62.43 C ATOM 908 O THR A 92 81.059 6.088 21.444 1.00 63.62 O ATOM 909 CB THR A 92 79.755 7.765 18.781 1.00 57.46 C ATOM 910 OG1 THR A 92 80.663 6.875 18.121 1.00 54.31 O ATOM 911 CG2 THR A 92 79.705 9.090 18.021 1.00 58.08 C ATOM 912 HG1 THR A 92 81.570 7.272 18.120 1.00 0.00 H ATOM 913 H THR A 92 82.177 8.365 19.401 1.00 0.00 H ATOM 914 N ALA A 93 78.826 6.278 21.262 1.00 67.61 N ATOM 915 CA ALA A 93 78.554 4.929 21.763 1.00 71.39 C ATOM 916 C ALA A 93 79.259 3.897 20.874 1.00 72.29 C ATOM 917 O ALA A 93 79.772 2.894 21.361 1.00 74.28 O ATOM 918 CB ALA A 93 77.055 4.661 21.803 1.00 72.80 C ATOM 919 H ALA A 93 78.030 6.923 21.081 1.00 0.00 H ATOM 920 N ASP A 94 79.309 4.187 19.574 1.00 73.76 N ATOM 921 CA ASP A 94 79.914 3.305 18.574 1.00 75.32 C ATOM 922 C ASP A 94 81.453 3.320 18.582 1.00 74.46 C ATOM 923 O ASP A 94 82.081 2.585 17.819 1.00 68.45 O ATOM 924 CB ASP A 94 79.412 3.712 17.177 1.00 79.81 C ATOM 925 CG ASP A 94 79.132 2.526 16.273 1.00 82.87 C ATOM 926 OD1 ASP A 94 79.463 1.379 16.640 1.00 88.68 O ATOM 927 OD2 ASP A 94 78.567 2.753 15.181 1.00 85.63 O ATOM 928 H ASP A 94 78.897 5.086 19.253 1.00 0.00 H ATOM 929 N LYS A 95 82.052 4.170 19.418 1.00 75.19 N ATOM 930 CA LYS A 95 83.503 4.212 19.610 1.00 75.79 C ATOM 931 C LYS A 95 84.231 5.029 18.528 1.00 74.57 C ATOM 932 O LYS A 95 85.452 4.930 18.393 1.00 73.32 O ATOM 933 CB LYS A 95 84.073 2.787 19.690 1.00 79.16 C ATOM 934 CG LYS A 95 85.263 2.616 20.616 1.00 80.13 C ATOM 935 CD LYS A 95 85.874 1.221 20.495 1.00 82.50 C ATOM 936 CE LYS A 95 84.867 0.093 20.706 1.00 83.69 C ATOM 937 NZ LYS A 95 84.106 0.206 21.982 1.00 85.98 N ATOM 938 HZ1 LYS A 95 84.769 0.186 22.783 1.00 0.00 H ATOM 939 HZ2 LYS A 95 83.577 1.102 21.991 1.00 0.00 H ATOM 940 HZ3 LYS A 95 83.442 -0.591 22.060 1.00 0.00 H ATOM 941 H LYS A 95 81.461 4.833 19.958 1.00 0.00 H ATOM 942 N LYS A 96 83.493 5.848 17.776 1.00 72.26 N ATOM 943 CA LYS A 96 84.100 6.740 16.781 1.00 70.53 C ATOM 944 C LYS A 96 84.053 8.204 17.240 1.00 64.35 C ATOM 945 O LYS A 96 83.227 8.559 18.081 1.00 61.12 O ATOM 946 CB LYS A 96 83.398 6.577 15.436 1.00 74.74 C ATOM 947 CG LYS A 96 83.606 5.204 14.815 1.00 78.55 C ATOM 948 CD LYS A 96 82.819 5.039 13.525 1.00 81.29 C ATOM 949 CE LYS A 96 82.982 3.637 12.956 1.00 81.03 C ATOM 950 NZ LYS A 96 82.247 3.476 11.671 1.00 81.94 N ATOM 951 HZ1 LYS A 96 81.234 3.651 11.828 1.00 0.00 H ATOM 952 HZ2 LYS A 96 82.614 4.157 10.976 1.00 0.00 H ATOM 953 HZ3 LYS A 96 82.382 2.508 11.315 1.00 0.00 H ATOM 954 H LYS A 96 82.460 5.854 17.898 1.00 0.00 H ATOM 955 N PRO A 97 84.944 9.059 16.698 1.00 60.38 N ATOM 956 CA PRO A 97 84.970 10.478 17.085 1.00 56.78 C ATOM 957 C PRO A 97 83.670 11.205 16.755 1.00 51.35 C ATOM 958 O PRO A 97 83.103 11.006 15.680 1.00 50.32 O ATOM 959 CB PRO A 97 86.119 11.060 16.250 1.00 59.08 C ATOM 960 CG PRO A 97 86.949 9.890 15.854 1.00 60.54 C ATOM 961 CD PRO A 97 85.991 8.746 15.709 1.00 60.92 C ATOM 962 N VAL A 98 83.213 12.049 17.672 1.00 46.18 N ATOM 963 CA VAL A 98 81.921 12.708 17.514 1.00 43.44 C ATOM 964 C VAL A 98 82.019 13.822 16.484 1.00 41.39 C ATOM 965 O VAL A 98 83.060 14.460 16.343 1.00 40.63 O ATOM 966 CB VAL A 98 81.356 13.250 18.853 1.00 43.45 C ATOM 967 CG1 VAL A 98 81.273 12.129 19.883 1.00 43.73 C ATOM 968 CG2 VAL A 98 82.172 14.418 19.391 1.00 43.89 C ATOM 969 H VAL A 98 83.786 12.244 18.518 1.00 0.00 H ATOM 970 N LYS A 99 80.929 14.038 15.758 1.00 39.29 N ATOM 971 CA LYS A 99 80.870 15.097 14.763 1.00 39.48 C ATOM 972 C LYS A 99 81.200 16.442 15.413 1.00 34.23 C ATOM 973 O LYS A 99 80.761 16.720 16.532 1.00 30.57 O ATOM 974 CB LYS A 99 79.487 15.141 14.136 1.00 41.51 C ATOM 975 CG LYS A 99 79.346 16.147 13.007 1.00 45.89 C ATOM 976 CD LYS A 99 78.364 15.654 11.948 1.00 49.14 C ATOM 977 CE LYS A 99 77.365 16.723 11.543 1.00 49.85 C ATOM 978 NZ LYS A 99 76.370 16.950 12.630 1.00 50.80 N ATOM 979 HZ1 LYS A 99 75.858 16.065 12.821 1.00 0.00 H ATOM 980 HZ2 LYS A 99 76.864 17.259 13.492 1.00 0.00 H ATOM 981 HZ3 LYS A 99 75.696 17.684 12.333 1.00 0.00 H ATOM 982 H LYS A 99 80.095 13.434 15.905 1.00 0.00 H ATOM 983 N ASN A 100 81.993 17.250 14.710 1.00 30.39 N ATOM 984 CA ASN A 100 82.416 18.578 15.192 1.00 28.48 C ATOM 985 C ASN A 100 83.188 18.566 16.505 1.00 27.90 C ATOM 986 O ASN A 100 83.192 19.560 17.232 1.00 26.85 O ATOM 987 CB ASN A 100 81.203 19.488 15.313 1.00 28.68 C ATOM 988 CG ASN A 100 80.613 19.826 13.978 1.00 28.45 C ATOM 989 OD1 ASN A 100 81.317 19.835 12.971 1.00 28.15 O ATOM 990 ND2 ASN A 100 79.325 20.146 13.959 1.00 28.25 N ATOM 991 HD22 ASN A 100 78.771 20.123 14.839 1.00 0.00 H ATOM 992 HD21 ASN A 100 78.870 20.419 13.065 1.00 0.00 H ATOM 993 H ASN A 100 82.329 16.930 13.779 1.00 0.00 H ATOM 994 N VAL A 101 83.858 17.447 16.796 1.00 28.64 N ATOM 995 CA VAL A 101 84.591 17.283 18.057 1.00 30.32 C ATOM 996 C VAL A 101 85.626 18.376 18.306 1.00 30.60 C ATOM 997 O VAL A 101 85.824 18.783 19.448 1.00 31.67 O ATOM 998 CB VAL A 101 85.289 15.902 18.159 1.00 31.49 C ATOM 999 CG1 VAL A 101 86.282 15.679 17.022 1.00 31.56 C ATOM 1000 CG2 VAL A 101 85.990 15.754 19.503 1.00 32.90 C ATOM 1001 H VAL A 101 83.860 16.668 16.107 1.00 0.00 H ATOM 1002 N ASP A 102 86.290 18.842 17.247 1.00 29.84 N ATOM 1003 CA ASP A 102 87.271 19.931 17.370 1.00 28.94 C ATOM 1004 C ASP A 102 86.634 21.155 18.049 1.00 27.56 C ATOM 1005 O ASP A 102 87.175 21.706 19.015 1.00 28.92 O ATOM 1006 CB ASP A 102 87.887 20.278 15.987 1.00 29.19 C ATOM 1007 CG ASP A 102 86.859 20.844 14.983 1.00 30.40 C ATOM 1008 OD1 ASP A 102 85.733 20.300 14.862 1.00 30.75 O ATOM 1009 OD2 ASP A 102 87.174 21.856 14.307 1.00 28.98 O ATOM 1010 H ASP A 102 86.110 18.425 16.311 1.00 0.00 H ATOM 1011 N LEU A 103 85.450 21.550 17.597 1.00 25.54 N ATOM 1012 CA LEU A 103 84.816 22.733 18.162 1.00 25.09 C ATOM 1013 C LEU A 103 84.170 22.512 19.534 1.00 25.96 C ATOM 1014 O LEU A 103 84.254 23.373 20.401 1.00 23.24 O ATOM 1015 CB LEU A 103 83.798 23.309 17.196 1.00 25.86 C ATOM 1016 CG LEU A 103 84.380 23.796 15.871 1.00 25.58 C ATOM 1017 CD1 LEU A 103 83.250 24.362 15.036 1.00 25.93 C ATOM 1018 CD2 LEU A 103 85.455 24.859 16.100 1.00 25.49 C ATOM 1019 H LEU A 103 84.976 21.016 16.841 1.00 0.00 H ATOM 1020 N TRP A 104 83.533 21.366 19.727 1.00 26.12 N ATOM 1021 CA TRP A 104 82.930 21.053 21.026 1.00 27.48 C ATOM 1022 C TRP A 104 83.964 21.034 22.144 1.00 28.60 C ATOM 1023 O TRP A 104 83.705 21.513 23.251 1.00 29.61 O ATOM 1024 CB TRP A 104 82.193 19.706 20.972 1.00 27.41 C ATOM 1025 CG TRP A 104 80.820 19.799 20.375 1.00 27.96 C ATOM 1026 CD1 TRP A 104 80.395 19.227 19.220 1.00 29.19 C ATOM 1027 CD2 TRP A 104 79.695 20.510 20.911 1.00 29.65 C ATOM 1028 NE1 TRP A 104 79.071 19.526 18.998 1.00 30.50 N ATOM 1029 CE2 TRP A 104 78.616 20.317 20.019 1.00 30.37 C ATOM 1030 CE3 TRP A 104 79.491 21.281 22.066 1.00 30.80 C ATOM 1031 CZ2 TRP A 104 77.349 20.870 20.238 1.00 30.76 C ATOM 1032 CZ3 TRP A 104 78.238 21.851 22.275 1.00 30.85 C ATOM 1033 CH2 TRP A 104 77.180 21.633 21.365 1.00 31.86 C ATOM 1034 HE1 TRP A 104 78.507 19.204 18.186 1.00 0.00 H ATOM 1035 H TRP A 104 83.460 20.681 18.948 1.00 0.00 H ATOM 1036 N GLN A 105 85.136 20.474 21.855 1.00 28.47 N ATOM 1037 CA GLN A 105 86.197 20.395 22.838 1.00 29.60 C ATOM 1038 C GLN A 105 86.696 21.783 23.185 1.00 27.96 C ATOM 1039 O GLN A 105 86.961 22.096 24.342 1.00 28.65 O ATOM 1040 CB GLN A 105 87.347 19.521 22.323 1.00 31.09 C ATOM 1041 CG GLN A 105 87.037 18.037 22.399 1.00 32.82 C ATOM 1042 CD GLN A 105 88.213 17.125 22.050 1.00 35.82 C ATOM 1043 OE1 GLN A 105 88.282 15.997 22.528 1.00 40.37 O ATOM 1044 NE2 GLN A 105 89.132 17.602 21.227 1.00 35.79 N ATOM 1045 HE22 GLN A 105 89.037 18.564 20.843 1.00 0.00 H ATOM 1046 HE21 GLN A 105 89.949 17.015 20.964 1.00 0.00 H ATOM 1047 H GLN A 105 85.294 20.085 20.903 1.00 0.00 H ATOM 1048 N ARG A 106 86.809 22.609 22.162 1.00 26.61 N ATOM 1049 CA ARG A 106 87.235 23.967 22.321 1.00 28.21 C ATOM 1050 C ARG A 106 86.215 24.782 23.103 1.00 28.47 C ATOM 1051 O ARG A 106 86.590 25.584 23.961 1.00 29.19 O ATOM 1052 CB ARG A 106 87.487 24.574 20.949 1.00 29.09 C ATOM 1053 CG ARG A 106 88.272 25.845 21.000 1.00 31.42 C ATOM 1054 CD ARG A 106 88.855 26.177 19.645 1.00 31.68 C ATOM 1055 NE ARG A 106 88.987 27.611 19.509 1.00 31.77 N ATOM 1056 CZ ARG A 106 89.241 28.249 18.367 1.00 33.99 C ATOM 1057 NH1 ARG A 106 89.409 27.588 17.231 1.00 34.96 N ATOM 1058 NH2 ARG A 106 89.322 29.568 18.367 1.00 34.04 N ATOM 1059 HE ARG A 106 88.875 28.188 20.367 1.00 0.00 H ATOM 1060 HH12 ARG A 106 89.606 28.107 16.352 1.00 0.00 H ATOM 1061 HH11 ARG A 106 89.343 26.550 17.219 1.00 0.00 H ATOM 1062 HH22 ARG A 106 89.520 30.077 17.482 1.00 0.00 H ATOM 1063 HH21 ARG A 106 89.188 30.097 19.252 1.00 0.00 H ATOM 1064 H ARG A 106 86.581 22.262 21.208 1.00 0.00 H ATOM 1065 N LEU A 107 84.928 24.561 22.829 1.00 27.87 N ATOM 1066 CA LEU A 107 83.869 25.190 23.615 1.00 28.20 C ATOM 1067 C LEU A 107 83.852 24.714 25.073 1.00 29.04 C ATOM 1068 O LEU A 107 83.679 25.516 25.993 1.00 29.33 O ATOM 1069 CB LEU A 107 82.502 24.950 22.978 1.00 29.70 C ATOM 1070 CG LEU A 107 81.299 25.523 23.739 1.00 29.79 C ATOM 1071 CD1 LEU A 107 81.452 27.024 23.926 1.00 29.85 C ATOM 1072 CD2 LEU A 107 79.995 25.185 23.023 1.00 30.41 C ATOM 1073 H LEU A 107 84.674 23.930 22.042 1.00 0.00 H ATOM 1074 N ASP A 108 84.026 23.417 25.286 1.00 29.10 N ATOM 1075 CA ASP A 108 84.098 22.876 26.637 1.00 29.19 C ATOM 1076 C ASP A 108 85.235 23.514 27.451 1.00 29.10 C ATOM 1077 O ASP A 108 85.039 23.860 28.616 1.00 26.96 O ATOM 1078 CB ASP A 108 84.285 21.362 26.592 1.00 31.57 C ATOM 1079 CG ASP A 108 84.307 20.738 27.973 1.00 33.96 C ATOM 1080 OD1 ASP A 108 83.347 20.948 28.747 1.00 33.89 O ATOM 1081 OD2 ASP A 108 85.282 20.038 28.278 1.00 36.72 O ATOM 1082 H ASP A 108 84.113 22.774 24.473 1.00 0.00 H ATOM 1083 N ALA A 109 86.409 23.670 26.832 1.00 28.21 N ATOM 1084 CA ALA A 109 87.548 24.337 27.474 1.00 28.63 C ATOM 1085 C ALA A 109 87.226 25.777 27.862 1.00 30.58 C ATOM 1086 O ALA A 109 87.553 26.217 28.970 1.00 32.57 O ATOM 1087 CB ALA A 109 88.761 24.307 26.559 1.00 29.01 C ATOM 1088 H ALA A 109 86.519 23.307 25.864 1.00 0.00 H ATOM 1089 N ALA A 110 86.575 26.508 26.957 1.00 29.94 N ATOM 1090 CA ALA A 110 86.227 27.907 27.215 1.00 30.20 C ATOM 1091 C ALA A 110 85.145 28.012 28.280 1.00 32.02 C ATOM 1092 O ALA A 110 85.162 28.940 29.084 1.00 35.21 O ATOM 1093 CB ALA A 110 85.780 28.599 25.937 1.00 29.86 C ATOM 1094 H ALA A 110 86.309 26.076 26.049 1.00 0.00 H ATOM 1095 N LEU A 111 84.225 27.049 28.304 1.00 34.75 N ATOM 1096 CA LEU A 111 83.165 27.009 29.321 1.00 35.92 C ATOM 1097 C LEU A 111 83.718 26.810 30.732 1.00 35.81 C ATOM 1098 O LEU A 111 83.267 27.463 31.670 1.00 35.49 O ATOM 1099 CB LEU A 111 82.144 25.906 29.013 1.00 36.75 C ATOM 1100 CG LEU A 111 81.216 26.119 27.813 1.00 36.29 C ATOM 1101 CD1 LEU A 111 80.435 24.848 27.545 1.00 37.22 C ATOM 1102 CD2 LEU A 111 80.266 27.294 27.987 1.00 36.70 C ATOM 1103 H LEU A 111 84.258 26.302 27.581 1.00 0.00 H ATOM 1104 N GLY A 112 84.694 25.911 30.873 1.00 34.88 N ATOM 1105 CA GLY A 112 85.385 25.683 32.148 1.00 33.36 C ATOM 1106 C GLY A 112 86.113 26.895 32.724 1.00 31.31 C ATOM 1107 O GLY A 112 86.487 26.904 33.883 1.00 30.20 O ATOM 1108 H GLY A 112 84.977 25.349 30.045 1.00 0.00 H ATOM 1109 N GLN A 113 86.294 27.922 31.909 1.00 31.31 N ATOM 1110 CA GLN A 113 86.918 29.180 32.321 1.00 31.93 C ATOM 1111 C GLN A 113 85.994 30.107 33.123 1.00 30.97 C ATOM 1112 O GLN A 113 86.458 31.039 33.790 1.00 31.89 O ATOM 1113 CB GLN A 113 87.365 29.901 31.050 1.00 33.88 C ATOM 1114 CG GLN A 113 88.382 30.992 31.238 1.00 34.67 C ATOM 1115 CD GLN A 113 89.734 30.416 31.581 1.00 35.64 C ATOM 1116 OE1 GLN A 113 90.088 30.353 32.760 1.00 35.20 O ATOM 1117 NE2 GLN A 113 90.484 29.963 30.564 1.00 36.10 N ATOM 1118 HE22 GLN A 113 90.137 30.041 29.587 1.00 0.00 H ATOM 1119 HE21 GLN A 113 91.412 29.534 30.753 1.00 0.00 H ATOM 1120 H GLN A 113 85.976 27.830 30.923 1.00 0.00 H ATOM 1121 N HIS A 114 84.686 29.875 33.056 1.00 29.67 N ATOM 1122 CA HIS A 114 83.720 30.836 33.596 1.00 29.03 C ATOM 1123 C HIS A 114 82.540 30.154 34.255 1.00 29.19 C ATOM 1124 O HIS A 114 82.367 28.940 34.140 1.00 28.38 O ATOM 1125 CB HIS A 114 83.201 31.749 32.476 1.00 27.70 C ATOM 1126 CG HIS A 114 84.280 32.350 31.638 1.00 26.99 C ATOM 1127 ND1 HIS A 114 85.016 33.444 32.036 1.00 26.23 N ATOM 1128 CD2 HIS A 114 84.766 31.990 30.428 1.00 25.65 C ATOM 1129 CE1 HIS A 114 85.907 33.734 31.107 1.00 27.49 C ATOM 1130 NE2 HIS A 114 85.775 32.864 30.121 1.00 27.29 N ATOM 1131 H HIS A 114 84.343 28.998 32.614 1.00 0.00 H ATOM 1132 N GLN A 115 81.743 30.960 34.949 1.00 28.69 N ATOM 1133 CA GLN A 115 80.480 30.535 35.531 1.00 31.04 C ATOM 1134 C GLN A 115 79.400 30.905 34.520 1.00 30.25 C ATOM 1135 O GLN A 115 79.133 32.071 34.304 1.00 31.56 O ATOM 1136 CB GLN A 115 80.247 31.240 36.880 1.00 33.08 C ATOM 1137 CG GLN A 115 79.129 30.651 37.724 1.00 37.39 C ATOM 1138 CD GLN A 115 79.490 29.310 38.343 1.00 40.60 C ATOM 1139 OE1 GLN A 115 80.466 28.675 37.962 1.00 42.74 O ATOM 1140 NE2 GLN A 115 78.705 28.883 39.318 1.00 44.39 N ATOM 1141 HE22 GLN A 115 77.886 29.452 39.613 1.00 0.00 H ATOM 1142 HE21 GLN A 115 78.907 27.979 39.790 1.00 0.00 H ATOM 1143 H GLN A 115 82.039 31.948 35.083 1.00 0.00 H ATOM 1144 N ILE A 116 78.815 29.908 33.870 1.00 31.90 N ATOM 1145 CA ILE A 116 77.928 30.150 32.731 1.00 34.18 C ATOM 1146 C ILE A 116 76.489 29.866 33.125 1.00 34.67 C ATOM 1147 O ILE A 116 76.192 28.797 33.659 1.00 36.36 O ATOM 1148 CB ILE A 116 78.262 29.228 31.536 1.00 35.36 C ATOM 1149 CG1 ILE A 116 79.751 29.311 31.159 1.00 36.61 C ATOM 1150 CG2 ILE A 116 77.364 29.530 30.334 1.00 36.85 C ATOM 1151 CD1 ILE A 116 80.167 30.593 30.483 1.00 36.07 C ATOM 1152 H ILE A 116 78.991 28.930 34.177 1.00 0.00 H ATOM 1153 N LYS A 117 75.611 30.823 32.859 1.00 35.60 N ATOM 1154 CA LYS A 117 74.176 30.588 32.876 1.00 38.63 C ATOM 1155 C LYS A 117 73.670 30.744 31.434 1.00 36.86 C ATOM 1156 O LYS A 117 73.824 31.793 30.829 1.00 33.64 O ATOM 1157 CB LYS A 117 73.468 31.581 33.796 1.00 43.08 C ATOM 1158 CG LYS A 117 72.007 31.238 34.044 1.00 51.20 C ATOM 1159 CD LYS A 117 71.292 32.326 34.842 1.00 56.80 C ATOM 1160 CE LYS A 117 69.799 32.041 34.988 1.00 61.52 C ATOM 1161 NZ LYS A 117 68.984 33.284 34.847 1.00 65.12 N ATOM 1162 HZ1 LYS A 117 69.262 33.965 35.583 1.00 0.00 H ATOM 1163 HZ2 LYS A 117 69.148 33.700 33.908 1.00 0.00 H ATOM 1164 HZ3 LYS A 117 67.976 33.050 34.952 1.00 0.00 H ATOM 1165 H LYS A 117 75.961 31.775 32.630 1.00 0.00 H ATOM 1166 N TRP A 118 73.077 29.688 30.897 1.00 36.77 N ATOM 1167 CA TRP A 118 72.552 29.703 29.541 1.00 37.84 C ATOM 1168 C TRP A 118 71.108 30.188 29.522 1.00 39.58 C ATOM 1169 O TRP A 118 70.307 29.768 30.359 1.00 42.37 O ATOM 1170 CB TRP A 118 72.574 28.295 28.963 1.00 37.62 C ATOM 1171 CG TRP A 118 73.914 27.684 28.807 1.00 36.58 C ATOM 1172 CD1 TRP A 118 74.564 26.889 29.707 1.00 37.12 C ATOM 1173 CD2 TRP A 118 74.755 27.757 27.655 1.00 36.12 C ATOM 1174 NE1 TRP A 118 75.768 26.472 29.189 1.00 36.11 N ATOM 1175 CE2 TRP A 118 75.910 26.993 27.931 1.00 36.94 C ATOM 1176 CE3 TRP A 118 74.651 28.395 26.420 1.00 36.23 C ATOM 1177 CZ2 TRP A 118 76.946 26.859 27.021 1.00 36.67 C ATOM 1178 CZ3 TRP A 118 75.682 28.260 25.515 1.00 37.11 C ATOM 1179 CH2 TRP A 118 76.816 27.494 25.819 1.00 36.99 C ATOM 1180 HE1 TRP A 118 76.457 25.862 29.673 1.00 0.00 H ATOM 1181 H TRP A 118 72.984 28.821 31.463 1.00 0.00 H ATOM 1182 N GLU A 119 70.795 31.083 28.588 1.00 40.94 N ATOM 1183 CA GLU A 119 69.407 31.465 28.338 1.00 41.34 C ATOM 1184 C GLU A 119 69.054 31.108 26.898 1.00 41.02 C ATOM 1185 O GLU A 119 69.459 31.760 25.941 1.00 39.88 O ATOM 1186 CB GLU A 119 69.096 32.934 28.722 1.00 41.61 C ATOM 1187 CG GLU A 119 69.400 34.044 27.724 1.00 42.63 C ATOM 1188 CD GLU A 119 68.299 35.104 27.682 1.00 44.37 C ATOM 1189 OE1 GLU A 119 67.320 34.989 28.455 1.00 44.68 O ATOM 1190 OE2 GLU A 119 68.400 36.052 26.871 1.00 45.04 O ATOM 1191 H GLU A 119 71.553 31.519 28.025 1.00 0.00 H ATOM 1192 N TRP A 120 68.313 30.019 26.766 1.00 43.73 N ATOM 1193 CA TRP A 120 67.900 29.528 25.467 1.00 47.28 C ATOM 1194 C TRP A 120 66.717 30.354 24.975 1.00 50.53 C ATOM 1195 O TRP A 120 65.600 30.197 25.469 1.00 54.68 O ATOM 1196 CB TRP A 120 67.506 28.060 25.565 1.00 47.40 C ATOM 1197 CG TRP A 120 68.478 27.213 26.312 1.00 46.63 C ATOM 1198 CD1 TRP A 120 68.250 26.546 27.480 1.00 45.54 C ATOM 1199 CD2 TRP A 120 69.830 26.920 25.939 1.00 45.52 C ATOM 1200 NE1 TRP A 120 69.375 25.854 27.860 1.00 44.53 N ATOM 1201 CE2 TRP A 120 70.361 26.068 26.933 1.00 45.86 C ATOM 1202 CE3 TRP A 120 70.643 27.296 24.864 1.00 44.24 C ATOM 1203 CZ2 TRP A 120 71.674 25.587 26.885 1.00 44.33 C ATOM 1204 CZ3 TRP A 120 71.939 26.811 24.814 1.00 44.27 C ATOM 1205 CH2 TRP A 120 72.443 25.970 25.822 1.00 43.45 C ATOM 1206 HE1 TRP A 120 69.463 25.264 28.712 1.00 0.00 H ATOM 1207 H TRP A 120 68.019 29.501 27.619 1.00 0.00 H ATOM 1208 N VAL A 121 66.974 31.257 24.033 1.00 52.30 N ATOM 1209 CA VAL A 121 65.905 32.032 23.394 1.00 54.71 C ATOM 1210 C VAL A 121 65.267 31.208 22.271 1.00 57.68 C ATOM 1211 O VAL A 121 65.914 30.349 21.671 1.00 53.01 O ATOM 1212 CB VAL A 121 66.397 33.401 22.863 1.00 55.42 C ATOM 1213 CG1 VAL A 121 66.838 34.286 24.018 1.00 56.11 C ATOM 1214 CG2 VAL A 121 67.521 33.249 21.851 1.00 55.61 C ATOM 1215 H VAL A 121 67.959 31.418 23.742 1.00 0.00 H ATOM 1216 N LYS A 122 63.991 31.459 22.001 1.00 63.06 N ATOM 1217 CA LYS A 122 63.246 30.664 21.013 1.00 68.79 C ATOM 1218 C LYS A 122 63.279 31.257 19.602 1.00 70.07 C ATOM 1219 O LYS A 122 63.003 30.555 18.631 1.00 73.53 O ATOM 1220 CB LYS A 122 61.806 30.448 21.483 1.00 70.20 C ATOM 1221 CG LYS A 122 61.720 29.532 22.699 1.00 72.65 C ATOM 1222 CD LYS A 122 60.292 29.311 23.172 1.00 74.08 C ATOM 1223 CE LYS A 122 59.747 30.526 23.909 1.00 74.15 C ATOM 1224 NZ LYS A 122 58.294 30.393 24.197 1.00 74.50 N ATOM 1225 HZ1 LYS A 122 57.772 30.292 23.303 1.00 0.00 H ATOM 1226 HZ2 LYS A 122 58.135 29.553 24.789 1.00 0.00 H ATOM 1227 HZ3 LYS A 122 57.962 31.241 24.700 1.00 0.00 H ATOM 1228 H LYS A 122 63.508 32.234 22.499 1.00 0.00 H ATOM 1229 N GLY A 123 63.627 32.538 19.492 1.00 71.39 N ATOM 1230 CA GLY A 123 63.774 33.201 18.194 1.00 72.95 C ATOM 1231 C GLY A 123 64.550 34.502 18.301 1.00 74.32 C ATOM 1232 O GLY A 123 64.992 34.880 19.387 1.00 78.57 O ATOM 1233 H GLY A 123 63.800 33.087 20.358 1.00 0.00 H ATOM 1234 N HIS A 124 64.717 35.185 17.171 1.00 76.59 N ATOM 1235 CA HIS A 124 65.393 36.489 17.130 1.00 77.71 C ATOM 1236 C HIS A 124 64.449 37.628 17.510 1.00 73.91 C ATOM 1237 O HIS A 124 64.898 38.683 17.962 1.00 71.83 O ATOM 1238 CB HIS A 124 65.967 36.765 15.733 1.00 82.12 C ATOM 1239 CG HIS A 124 66.919 35.714 15.249 1.00 86.77 C ATOM 1240 ND1 HIS A 124 68.130 35.469 15.859 1.00 90.06 N ATOM 1241 CD2 HIS A 124 66.839 34.849 14.209 1.00 87.30 C ATOM 1242 CE1 HIS A 124 68.753 34.494 15.221 1.00 89.28 C ATOM 1243 NE2 HIS A 124 67.991 34.100 14.216 1.00 88.27 N ATOM 1244 H HIS A 124 64.355 34.781 16.284 1.00 0.00 H ATOM 1245 N ALA A 125 63.148 37.408 17.313 1.00 71.59 N ATOM 1246 CA ALA A 125 62.120 38.424 17.557 1.00 69.72 C ATOM 1247 C ALA A 125 62.081 38.854 19.022 1.00 66.62 C ATOM 1248 O ALA A 125 62.031 38.014 19.925 1.00 66.35 O ATOM 1249 CB ALA A 125 60.753 37.902 17.129 1.00 70.93 C ATOM 1250 H ALA A 125 62.849 36.473 16.971 1.00 0.00 H ATOM 1251 N GLY A 126 62.118 40.168 19.245 1.00 62.78 N ATOM 1252 CA GLY A 126 62.120 40.737 20.594 1.00 61.41 C ATOM 1253 C GLY A 126 63.434 40.593 21.348 1.00 60.79 C ATOM 1254 O GLY A 126 63.506 40.906 22.545 1.00 58.65 O ATOM 1255 H GLY A 126 62.147 40.813 18.430 1.00 0.00 H ATOM 1256 N HIS A 127 64.468 40.124 20.647 1.00 57.97 N ATOM 1257 CA HIS A 127 65.791 39.925 21.217 1.00 56.25 C ATOM 1258 C HIS A 127 66.765 40.709 20.348 1.00 53.00 C ATOM 1259 O HIS A 127 67.436 40.129 19.490 1.00 53.58 O ATOM 1260 CB HIS A 127 66.142 38.442 21.218 1.00 57.02 C ATOM 1261 CG HIS A 127 65.193 37.597 22.007 1.00 59.05 C ATOM 1262 ND1 HIS A 127 64.340 36.689 21.417 1.00 60.48 N ATOM 1263 CD2 HIS A 127 64.963 37.520 23.338 1.00 58.79 C ATOM 1264 CE1 HIS A 127 63.626 36.087 22.351 1.00 59.95 C ATOM 1265 NE2 HIS A 127 63.983 36.575 23.525 1.00 59.92 N ATOM 1266 H HIS A 127 64.321 39.889 19.645 1.00 0.00 H ATOM 1267 N PRO A 128 66.833 42.037 20.552 1.00 51.44 N ATOM 1268 CA PRO A 128 67.559 42.906 19.621 1.00 50.33 C ATOM 1269 C PRO A 128 69.040 42.537 19.441 1.00 47.96 C ATOM 1270 O PRO A 128 69.578 42.693 18.347 1.00 47.78 O ATOM 1271 CB PRO A 128 67.417 44.306 20.243 1.00 50.83 C ATOM 1272 CG PRO A 128 66.320 44.199 21.242 1.00 51.62 C ATOM 1273 CD PRO A 128 66.344 42.783 21.726 1.00 51.34 C ATOM 1274 N GLU A 129 69.678 42.050 20.502 1.00 46.20 N ATOM 1275 CA GLU A 129 71.075 41.616 20.431 1.00 45.41 C ATOM 1276 C GLU A 129 71.215 40.356 19.586 1.00 41.68 C ATOM 1277 O GLU A 129 72.122 40.254 18.772 1.00 40.36 O ATOM 1278 CB GLU A 129 71.647 41.350 21.822 1.00 46.53 C ATOM 1279 CG GLU A 129 71.782 42.590 22.689 1.00 49.11 C ATOM 1280 CD GLU A 129 70.489 42.981 23.392 1.00 51.16 C ATOM 1281 OE1 GLU A 129 70.511 44.003 24.105 1.00 55.17 O ATOM 1282 OE2 GLU A 129 69.456 42.282 23.238 1.00 49.91 O ATOM 1283 H GLU A 129 69.171 41.975 21.407 1.00 0.00 H ATOM 1284 N ASN A 130 70.316 39.400 19.795 1.00 40.29 N ATOM 1285 CA ASN A 130 70.318 38.174 19.016 1.00 42.31 C ATOM 1286 C ASN A 130 70.001 38.435 17.543 1.00 43.37 C ATOM 1287 O ASN A 130 70.551 37.771 16.669 1.00 41.02 O ATOM 1288 CB ASN A 130 69.364 37.148 19.608 1.00 43.78 C ATOM 1289 CG ASN A 130 69.882 36.570 20.916 1.00 47.85 C ATOM 1290 OD1 ASN A 130 70.751 35.691 20.926 1.00 51.32 O ATOM 1291 ND2 ASN A 130 69.358 37.064 22.025 1.00 49.64 N ATOM 1292 HD22 ASN A 130 68.629 37.803 21.971 1.00 0.00 H ATOM 1293 HD21 ASN A 130 69.675 36.713 22.951 1.00 0.00 H ATOM 1294 H ASN A 130 69.595 39.533 20.533 1.00 0.00 H ATOM 1295 N GLU A 131 69.128 39.407 17.282 1.00 42.52 N ATOM 1296 CA GLU A 131 68.854 39.850 15.921 1.00 42.94 C ATOM 1297 C GLU A 131 70.097 40.506 15.332 1.00 40.28 C ATOM 1298 O GLU A 131 70.442 40.258 14.177 1.00 37.50 O ATOM 1299 CB GLU A 131 67.670 40.829 15.884 1.00 47.02 C ATOM 1300 CG GLU A 131 67.259 41.254 14.473 1.00 50.23 C ATOM 1301 CD GLU A 131 66.150 42.298 14.459 1.00 54.73 C ATOM 1302 OE1 GLU A 131 65.310 42.267 13.528 1.00 55.51 O ATOM 1303 OE2 GLU A 131 66.116 43.153 15.375 1.00 58.36 O ATOM 1304 H GLU A 131 68.628 39.863 18.072 1.00 0.00 H ATOM 1305 N ARG A 132 70.772 41.341 16.115 1.00 39.09 N ATOM 1306 CA ARG A 132 72.030 41.932 15.656 1.00 39.66 C ATOM 1307 C ARG A 132 73.136 40.900 15.360 1.00 37.85 C ATOM 1308 O ARG A 132 73.898 41.096 14.410 1.00 36.79 O ATOM 1309 CB ARG A 132 72.550 42.966 16.643 1.00 41.53 C ATOM 1310 CG ARG A 132 71.733 44.240 16.661 1.00 45.35 C ATOM 1311 CD ARG A 132 72.043 45.030 17.908 1.00 46.40 C ATOM 1312 NE ARG A 132 73.447 45.420 17.921 1.00 48.54 N ATOM 1313 CZ ARG A 132 74.113 45.816 18.999 1.00 48.71 C ATOM 1314 NH1 ARG A 132 73.509 45.885 20.180 1.00 48.38 N ATOM 1315 NH2 ARG A 132 75.393 46.150 18.890 1.00 50.39 N ATOM 1316 HE ARG A 132 73.965 45.386 17.020 1.00 0.00 H ATOM 1317 HH12 ARG A 132 74.040 46.197 21.018 1.00 0.00 H ATOM 1318 HH11 ARG A 132 72.505 45.628 20.266 1.00 0.00 H ATOM 1319 HH22 ARG A 132 75.922 46.461 19.729 1.00 0.00 H ATOM 1320 HH21 ARG A 132 75.866 46.100 17.965 1.00 0.00 H ATOM 1321 H ARG A 132 70.404 41.576 17.059 1.00 0.00 H ATOM 1322 N CYS A 133 73.252 39.822 16.141 1.00 35.37 N ATOM 1323 CA CYS A 133 74.288 38.834 15.811 1.00 38.13 C ATOM 1324 C CYS A 133 73.931 38.059 14.537 1.00 36.39 C ATOM 1325 O CYS A 133 74.835 37.630 13.804 1.00 35.03 O ATOM 1326 CB CYS A 133 74.669 37.906 16.977 1.00 39.89 C ATOM 1327 SG CYS A 133 73.349 37.215 17.987 1.00 44.26 S ATOM 1328 H CYS A 133 72.626 39.686 16.960 1.00 0.00 H ATOM 1329 N ASP A 134 72.642 37.911 14.256 1.00 37.47 N ATOM 1330 CA ASP A 134 72.222 37.305 13.011 1.00 40.06 C ATOM 1331 C ASP A 134 72.710 38.171 11.856 1.00 39.38 C ATOM 1332 O ASP A 134 73.279 37.662 10.893 1.00 39.23 O ATOM 1333 CB ASP A 134 70.706 37.160 12.962 1.00 42.81 C ATOM 1334 CG ASP A 134 70.238 36.535 11.677 1.00 45.62 C ATOM 1335 OD1 ASP A 134 70.516 35.335 11.454 1.00 49.91 O ATOM 1336 OD2 ASP A 134 69.615 37.254 10.875 1.00 48.47 O ATOM 1337 H ASP A 134 71.926 38.234 14.938 1.00 0.00 H ATOM 1338 N GLU A 135 72.518 39.480 11.989 1.00 38.77 N ATOM 1339 CA GLU A 135 72.919 40.441 10.968 1.00 39.45 C ATOM 1340 C GLU A 135 74.437 40.411 10.787 1.00 38.51 C ATOM 1341 O GLU A 135 74.942 40.453 9.662 1.00 33.33 O ATOM 1342 CB GLU A 135 72.481 41.864 11.347 1.00 40.81 C ATOM 1343 CG GLU A 135 70.967 42.068 11.437 1.00 44.41 C ATOM 1344 CD GLU A 135 70.570 43.432 12.002 1.00 45.19 C ATOM 1345 OE1 GLU A 135 71.460 44.261 12.309 1.00 47.36 O ATOM 1346 OE2 GLU A 135 69.355 43.684 12.139 1.00 46.65 O ATOM 1347 H GLU A 135 72.064 39.833 12.856 1.00 0.00 H ATOM 1348 N LEU A 136 75.159 40.348 11.903 1.00 34.56 N ATOM 1349 CA LEU A 136 76.611 40.235 11.848 1.00 34.37 C ATOM 1350 C LEU A 136 77.027 38.942 11.151 1.00 31.20 C ATOM 1351 O LEU A 136 77.956 38.946 10.358 1.00 31.23 O ATOM 1352 CB LEU A 136 77.219 40.280 13.250 1.00 35.27 C ATOM 1353 CG LEU A 136 77.311 41.635 13.961 1.00 36.30 C ATOM 1354 CD1 LEU A 136 77.682 41.427 15.423 1.00 36.03 C ATOM 1355 CD2 LEU A 136 78.324 42.540 13.283 1.00 37.20 C ATOM 1356 H LEU A 136 74.681 40.380 12.826 1.00 0.00 H ATOM 1357 N ALA A 137 76.331 37.850 11.461 1.00 32.77 N ATOM 1358 CA ALA A 137 76.658 36.527 10.932 1.00 31.77 C ATOM 1359 C ALA A 137 76.370 36.448 9.426 1.00 34.73 C ATOM 1360 O ALA A 137 77.205 35.975 8.636 1.00 31.65 O ATOM 1361 CB ALA A 137 75.871 35.463 11.682 1.00 31.90 C ATOM 1362 H ALA A 137 75.521 37.942 12.107 1.00 0.00 H ATOM 1363 N ARG A 138 75.196 36.931 9.033 1.00 34.37 N ATOM 1364 CA ARG A 138 74.838 36.998 7.611 1.00 36.69 C ATOM 1365 C ARG A 138 75.820 37.875 6.839 1.00 34.85 C ATOM 1366 O ARG A 138 76.310 37.476 5.785 1.00 33.31 O ATOM 1367 CB ARG A 138 73.420 37.534 7.434 1.00 40.20 C ATOM 1368 CG ARG A 138 72.341 36.611 7.968 1.00 43.51 C ATOM 1369 CD ARG A 138 71.004 37.324 8.062 1.00 48.37 C ATOM 1370 NE ARG A 138 69.941 36.408 8.474 1.00 52.12 N ATOM 1371 CZ ARG A 138 69.290 35.579 7.657 1.00 57.32 C ATOM 1372 NH1 ARG A 138 69.568 35.536 6.354 1.00 60.14 N ATOM 1373 NH2 ARG A 138 68.348 34.784 8.149 1.00 57.90 N ATOM 1374 HE ARG A 138 69.673 36.403 9.479 1.00 0.00 H ATOM 1375 HH12 ARG A 138 69.049 34.883 5.733 1.00 0.00 H ATOM 1376 HH11 ARG A 138 70.304 36.156 5.958 1.00 0.00 H ATOM 1377 HH22 ARG A 138 67.835 34.134 7.520 1.00 0.00 H ATOM 1378 HH21 ARG A 138 68.123 34.811 9.164 1.00 0.00 H ATOM 1379 H ARG A 138 74.518 37.268 9.746 1.00 0.00 H ATOM 1380 N ALA A 139 76.120 39.054 7.372 1.00 33.41 N ATOM 1381 CA ALA A 139 77.073 39.958 6.744 1.00 35.46 C ATOM 1382 C ALA A 139 78.436 39.305 6.541 1.00 35.72 C ATOM 1383 O ALA A 139 79.103 39.531 5.522 1.00 35.96 O ATOM 1384 CB ALA A 139 77.231 41.222 7.575 1.00 37.09 C ATOM 1385 H ALA A 139 75.662 39.339 8.261 1.00 0.00 H ATOM 1386 N ALA A 140 78.854 38.507 7.522 1.00 34.15 N ATOM 1387 CA ALA A 140 80.129 37.817 7.455 1.00 32.78 C ATOM 1388 C ALA A 140 80.095 36.721 6.384 1.00 32.51 C ATOM 1389 O ALA A 140 81.062 36.556 5.641 1.00 30.53 O ATOM 1390 CB ALA A 140 80.494 37.240 8.820 1.00 31.87 C ATOM 1391 H ALA A 140 78.250 38.375 8.359 1.00 0.00 H ATOM 1392 N ALA A 141 78.974 36.002 6.297 1.00 31.72 N ATOM 1393 CA ALA A 141 78.801 34.946 5.301 1.00 34.59 C ATOM 1394 C ALA A 141 78.861 35.478 3.865 1.00 35.40 C ATOM 1395 O ALA A 141 79.248 34.747 2.960 1.00 35.96 O ATOM 1396 CB ALA A 141 77.496 34.201 5.532 1.00 34.70 C ATOM 1397 H ALA A 141 78.197 36.200 6.960 1.00 0.00 H ATOM 1398 N MET A 142 78.486 36.745 3.688 1.00 36.07 N ATOM 1399 CA MET A 142 78.501 37.369 2.366 1.00 36.64 C ATOM 1400 C MET A 142 79.857 38.003 2.031 1.00 35.49 C ATOM 1401 O MET A 142 80.042 38.505 0.931 1.00 34.00 O ATOM 1402 CB MET A 142 77.347 38.372 2.234 1.00 38.73 C ATOM 1403 CG MET A 142 75.991 37.677 2.192 1.00 40.72 C ATOM 1404 SD MET A 142 74.587 38.747 1.812 1.00 44.56 S ATOM 1405 CE MET A 142 73.247 37.566 1.800 1.00 42.65 C ATOM 1406 H MET A 142 78.176 37.302 4.509 1.00 0.00 H ATOM 1407 N ASN A 143 80.803 37.952 2.972 1.00 32.27 N ATOM 1408 CA ASN A 143 82.174 38.384 2.723 1.00 33.17 C ATOM 1409 C ASN A 143 83.199 37.457 3.411 1.00 31.71 C ATOM 1410 O ASN A 143 83.955 37.892 4.270 1.00 31.27 O ATOM 1411 CB ASN A 143 82.362 39.838 3.184 1.00 34.57 C ATOM 1412 CG ASN A 143 83.663 40.441 2.695 1.00 38.47 C ATOM 1413 OD1 ASN A 143 84.293 39.923 1.779 1.00 42.60 O ATOM 1414 ND2 ASN A 143 84.082 41.534 3.312 1.00 42.91 N ATOM 1415 HD22 ASN A 143 83.519 41.943 4.085 1.00 0.00 H ATOM 1416 HD21 ASN A 143 84.974 41.984 3.024 1.00 0.00 H ATOM 1417 H ASN A 143 80.554 37.592 3.915 1.00 0.00 H ATOM 1418 N PRO A 144 83.222 36.174 3.029 1.00 30.50 N ATOM 1419 CA PRO A 144 84.081 35.204 3.702 1.00 30.32 C ATOM 1420 C PRO A 144 85.559 35.396 3.343 1.00 31.19 C ATOM 1421 O PRO A 144 85.893 35.493 2.168 1.00 32.19 O ATOM 1422 CB PRO A 144 83.558 33.863 3.195 1.00 29.82 C ATOM 1423 CG PRO A 144 82.993 34.169 1.840 1.00 31.17 C ATOM 1424 CD PRO A 144 82.451 35.569 1.924 1.00 30.58 C ATOM 1425 N THR A 145 86.415 35.474 4.360 1.00 29.10 N ATOM 1426 CA THR A 145 87.837 35.710 4.185 1.00 29.41 C ATOM 1427 C THR A 145 88.715 34.596 4.784 1.00 30.22 C ATOM 1428 O THR A 145 89.943 34.686 4.703 1.00 30.14 O ATOM 1429 CB THR A 145 88.246 37.024 4.867 1.00 31.49 C ATOM 1430 OG1 THR A 145 87.946 36.933 6.261 1.00 34.34 O ATOM 1431 CG2 THR A 145 87.494 38.241 4.263 1.00 32.21 C ATOM 1432 HG1 THR A 145 86.975 36.782 6.379 1.00 0.00 H ATOM 1433 H THR A 145 86.047 35.360 5.326 1.00 0.00 H ATOM 1434 N LEU A 146 88.099 33.570 5.387 1.00 27.46 N ATOM 1435 CA LEU A 146 88.833 32.479 6.017 1.00 27.98 C ATOM 1436 C LEU A 146 88.287 31.120 5.578 1.00 28.41 C ATOM 1437 O LEU A 146 87.176 31.013 5.073 1.00 27.86 O ATOM 1438 CB LEU A 146 88.747 32.584 7.547 1.00 28.94 C ATOM 1439 CG LEU A 146 89.397 33.822 8.194 1.00 28.37 C ATOM 1440 CD1 LEU A 146 88.927 33.992 9.628 1.00 30.53 C ATOM 1441 CD2 LEU A 146 90.915 33.741 8.154 1.00 28.93 C ATOM 1442 H LEU A 146 87.059 33.551 5.406 1.00 0.00 H ATOM 1443 N GLU A 147 89.091 30.090 5.771 1.00 27.13 N ATOM 1444 CA GLU A 147 88.669 28.727 5.562 1.00 29.88 C ATOM 1445 C GLU A 147 88.333 28.099 6.919 1.00 27.55 C ATOM 1446 O GLU A 147 89.034 28.316 7.901 1.00 25.80 O ATOM 1447 CB GLU A 147 89.780 27.950 4.863 1.00 34.44 C ATOM 1448 CG GLU A 147 89.547 26.454 4.783 1.00 39.84 C ATOM 1449 CD GLU A 147 90.379 25.777 3.709 1.00 44.92 C ATOM 1450 OE1 GLU A 147 91.214 26.447 3.058 1.00 48.51 O ATOM 1451 OE2 GLU A 147 90.186 24.560 3.515 1.00 51.01 O ATOM 1452 H GLU A 147 90.066 30.269 6.086 1.00 0.00 H ATOM 1453 N ASP A 148 87.244 27.339 6.970 1.00 25.49 N ATOM 1454 CA ASP A 148 86.932 26.545 8.156 1.00 25.87 C ATOM 1455 C ASP A 148 87.764 25.270 8.058 1.00 26.26 C ATOM 1456 O ASP A 148 87.295 24.260 7.558 1.00 26.09 O ATOM 1457 CB ASP A 148 85.431 26.233 8.254 1.00 23.90 C ATOM 1458 CG ASP A 148 85.063 25.442 9.515 1.00 24.96 C ATOM 1459 OD1 ASP A 148 85.963 24.921 10.230 1.00 26.16 O ATOM 1460 OD2 ASP A 148 83.846 25.312 9.794 1.00 24.41 O ATOM 1461 H ASP A 148 86.603 27.309 6.152 1.00 0.00 H ATOM 1462 N THR A 149 88.993 25.329 8.567 1.00 27.05 N ATOM 1463 CA THR A 149 89.972 24.257 8.367 1.00 27.88 C ATOM 1464 C THR A 149 89.641 22.958 9.119 1.00 29.36 C ATOM 1465 O THR A 149 90.085 21.884 8.723 1.00 31.09 O ATOM 1466 CB THR A 149 91.392 24.735 8.733 1.00 28.39 C ATOM 1467 OG1 THR A 149 91.388 25.310 10.034 1.00 29.32 O ATOM 1468 CG2 THR A 149 91.861 25.796 7.766 1.00 28.26 C ATOM 1469 HG1 THR A 149 92.302 25.614 10.262 1.00 0.00 H ATOM 1470 H THR A 149 89.267 26.163 9.125 1.00 0.00 H ATOM 1471 N GLY A 150 88.850 23.050 10.185 1.00 30.13 N ATOM 1472 CA GLY A 150 88.424 21.869 10.938 1.00 30.98 C ATOM 1473 C GLY A 150 87.214 21.140 10.371 1.00 33.10 C ATOM 1474 O GLY A 150 86.883 20.049 10.823 1.00 34.44 O ATOM 1475 H GLY A 150 88.525 23.989 10.492 1.00 0.00 H ATOM 1476 N TYR A 151 86.536 21.738 9.397 1.00 34.17 N ATOM 1477 CA TYR A 151 85.353 21.120 8.811 1.00 36.39 C ATOM 1478 C TYR A 151 85.749 19.925 7.939 1.00 39.93 C ATOM 1479 O TYR A 151 86.410 20.082 6.914 1.00 38.83 O ATOM 1480 CB TYR A 151 84.540 22.138 8.005 1.00 36.35 C ATOM 1481 CG TYR A 151 83.422 21.519 7.211 1.00 38.65 C ATOM 1482 CD1 TYR A 151 82.454 20.737 7.837 1.00 39.84 C ATOM 1483 CD2 TYR A 151 83.338 21.693 5.827 1.00 41.30 C ATOM 1484 CE1 TYR A 151 81.423 20.155 7.113 1.00 41.02 C ATOM 1485 CE2 TYR A 151 82.311 21.114 5.092 1.00 41.85 C ATOM 1486 CZ TYR A 151 81.355 20.349 5.743 1.00 42.24 C ATOM 1487 OH TYR A 151 80.343 19.758 5.022 1.00 45.79 O ATOM 1488 HH TYR A 151 79.753 19.253 5.636 1.00 0.00 H ATOM 1489 H TYR A 151 86.855 22.664 9.046 1.00 0.00 H ATOM 1490 N GLN A 152 85.341 18.734 8.368 1.00 43.50 N ATOM 1491 CA GLN A 152 85.642 17.502 7.638 1.00 47.11 C ATOM 1492 C GLN A 152 84.575 17.329 6.557 1.00 44.33 C ATOM 1493 O GLN A 152 83.431 16.992 6.853 1.00 43.08 O ATOM 1494 CB GLN A 152 85.659 16.301 8.600 1.00 51.79 C ATOM 1495 CG GLN A 152 86.836 15.352 8.404 1.00 57.37 C ATOM 1496 CD GLN A 152 88.168 15.946 8.850 1.00 60.01 C ATOM 1497 OE1 GLN A 152 88.216 16.856 9.680 1.00 65.44 O ATOM 1498 NE2 GLN A 152 89.259 15.428 8.299 1.00 63.06 N ATOM 1499 HE22 GLN A 152 89.175 14.661 7.602 1.00 0.00 H ATOM 1500 HE21 GLN A 152 90.197 15.790 8.564 1.00 0.00 H ATOM 1501 H GLN A 152 84.791 18.677 9.249 1.00 0.00 H ATOM 1502 N VAL A 153 84.946 17.565 5.306 1.00 43.25 N ATOM 1503 CA VAL A 153 83.954 17.672 4.231 1.00 47.71 C ATOM 1504 C VAL A 153 83.187 16.345 4.055 1.00 47.06 C ATOM 1505 O VAL A 153 83.782 15.288 3.898 1.00 46.48 O ATOM 1506 CB VAL A 153 84.585 18.133 2.895 1.00 47.75 C ATOM 1507 CG1 VAL A 153 83.516 18.296 1.831 1.00 49.40 C ATOM 1508 CG2 VAL A 153 85.308 19.466 3.065 1.00 47.81 C ATOM 1509 H VAL A 153 85.956 17.676 5.084 1.00 0.00 H ATOM 1510 N GLU A 154 81.863 16.429 4.104 1.00 49.22 N ATOM 1511 CA GLU A 154 80.993 15.249 4.159 1.00 51.84 C ATOM 1512 C GLU A 154 80.330 14.935 2.813 1.00 52.54 C ATOM 1513 O GLU A 154 79.636 13.920 2.679 1.00 50.04 O ATOM 1514 CB GLU A 154 79.928 15.459 5.237 1.00 53.92 C ATOM 1515 CG GLU A 154 78.879 16.510 4.883 1.00 57.83 C ATOM 1516 CD GLU A 154 78.502 17.403 6.055 1.00 61.99 C ATOM 1517 OE1 GLU A 154 78.397 16.897 7.193 1.00 62.16 O ATOM 1518 OE2 GLU A 154 78.298 18.619 5.833 1.00 62.73 O ATOM 1519 H GLU A 154 81.424 17.372 4.103 1.00 0.00 H ATOM 1520 N VAL A 155 80.553 15.811 1.829 1.00 52.94 N ATOM 1521 CA VAL A 155 79.967 15.688 0.498 1.00 55.51 C ATOM 1522 C VAL A 155 81.065 15.738 -0.561 1.00 57.11 C ATOM 1523 O VAL A 155 80.901 15.219 -1.666 1.00 60.22 O ATOM 1524 CB VAL A 155 78.927 16.810 0.225 1.00 58.00 C ATOM 1525 CG1 VAL A 155 77.816 16.781 1.272 1.00 56.88 C ATOM 1526 CG2 VAL A 155 79.582 18.191 0.191 1.00 57.52 C ATOM 1527 OXT VAL A 155 82.137 16.297 -0.343 1.00 53.02 O ATOM 1528 H VAL A 155 81.176 16.622 2.021 1.00 0.00 H TER 1529 VAL A 155 HETATM 1530 O HOH 1 72.975 31.602 19.079 1.00 66.04 O HETATM 1531 O HOH 2 75.569 16.212 28.529 1.00 48.14 O HETATM 1532 O HOH 3 71.653 30.643 16.909 1.00 64.97 O HETATM 1533 O HOH 4 76.796 7.273 20.537 1.00 46.47 O HETATM 1534 O HOH 5 78.943 9.501 22.886 1.00 52.20 O HETATM 1535 O HOH 6 78.795 15.155 8.905 1.00 67.14 O HETATM 1536 O HOH 7 80.978 21.911 -1.239 1.00 44.51 O HETATM 1537 O HOH 8 71.799 29.828 12.618 1.00 44.48 O HETATM 1538 O HOH 9 70.843 33.993 18.882 1.00 56.12 O HETATM 1539 O HOH 10 88.709 27.349 24.202 1.00 30.33 O HETATM 1540 O HOH 11 77.191 43.277 33.356 1.00 39.43 O HETATM 1541 O HOH 12 83.842 38.921 6.591 1.00 42.55 O HETATM 1542 O HOH 13 66.142 26.107 22.573 1.00 59.92 O HETATM 1543 O HOH 14 90.117 25.315 16.271 1.00 36.58 O HETATM 1544 O HOH 15 85.117 37.772 0.573 1.00 41.06 O HETATM 1545 O HOH 16 73.004 37.205 27.398 1.00 29.79 O HETATM 1546 O HOH 17 79.400 41.032 0.784 1.00 53.97 O HETATM 1547 O HOH 18 85.832 37.497 7.709 1.00 37.42 O HETATM 1548 O HOH 19 85.519 38.799 37.156 1.00 31.87 O HETATM 1549 O HOH 20 79.942 40.819 10.184 1.00 33.84 O HETATM 1550 O HOH 21 88.074 35.348 20.967 1.00 26.24 O HETATM 1551 O HOH 22 89.195 33.157 19.843 1.00 32.42 O HETATM 1552 O HOH 23 86.291 37.633 15.623 1.00 38.36 O HETATM 1553 O HOH 24 87.603 22.388 5.640 1.00 47.46 O HETATM 1554 O HOH 25 88.211 33.377 28.316 1.00 23.55 O HETATM 1555 O HOH 26 89.519 23.225 14.137 1.00 47.60 O HETATM 1556 O HOH 27 73.144 41.052 7.699 1.00 55.44 O HETATM 1557 O HOH 28 85.978 26.737 4.568 1.00 29.41 O HETATM 1558 O HOH 29 75.568 30.365 18.889 1.00 37.29 O HETATM 1559 O HOH 30 88.489 25.100 12.046 1.00 44.14 O HETATM 1560 O HOH 31 79.163 42.527 37.395 1.00 41.24 O HETATM 1561 O HOH 32 77.911 20.466 11.182 1.00 29.71 O HETATM 1562 O HOH 33 83.631 18.462 10.629 1.00 41.57 O HETATM 1563 O HOH 34 93.203 28.211 4.091 1.00 42.62 O HETATM 1564 O HOH 35 70.766 45.223 20.864 1.00 60.74 O HETATM 1565 O HOH 36 69.748 31.874 32.388 1.00 47.51 O HETATM 1566 O HOH 37 91.414 36.212 2.617 1.00 38.52 O HETATM 1567 O HOH 38 83.530 16.196 12.372 1.00 37.35 O HETATM 1568 O HOH 39 87.768 20.154 26.601 1.00 50.20 O HETATM 1569 O HOH 40 88.007 24.734 14.575 1.00 85.92 O HETATM 1570 O HOH 41 89.536 30.299 15.382 1.00 46.48 O HETATM 1571 O HOH 42 74.374 22.725 10.115 1.00 28.84 O HETATM 1572 O HOH 43 85.653 40.281 15.172 1.00 38.83 O HETATM 1573 O HOH 44 89.709 28.620 26.478 1.00 37.47 O HETATM 1574 N ASP A 45 89.208 47.633 33.308 1.00 0.24 N HETATM 1575 CA ASP A 45 88.042 47.154 34.119 1.00 0.08 C HETATM 1576 C ASP A 45 86.996 46.368 33.324 1.00 0.23 C HETATM 1577 O ASP A 45 86.368 45.462 33.870 1.00 -0.39 O HETATM 1578 N ASP A 45 86.771 46.741 32.065 1.00 -0.26 N HETATM 1579 CA ASP A 45 85.967 45.914 31.165 1.00 0.13 C HETATM 1580 C ASP A 45 86.761 44.621 30.873 1.00 0.21 C HETATM 1581 O ASP A 45 87.923 44.683 30.461 1.00 -0.39 O HETATM 1582 N ASP A 45 86.144 43.446 31.106 1.00 -0.25 N HETATM 1583 CA ASP A 45 86.885 42.184 31.046 1.00 0.13 C HETATM 1584 C ASP A 45 86.995 41.589 29.629 1.00 0.20 C HETATM 1585 O ASP A 45 87.156 40.369 29.466 1.00 -0.39 O HETATM 1586 N ASP A 45 86.905 42.440 28.612 1.00 -0.27 N HETATM 1587 CA ASP A 45 87.141 42.023 27.234 1.00 0.10 C HETATM 1588 C ASP A 45 87.564 43.222 26.400 1.00 0.06 C HETATM 1589 O ASP A 45 87.420 44.369 26.824 1.00 -0.57 O HETATM 1590 OXT ASP A 45 88.052 43.072 25.286 1.00 -0.57 O HETATM 1591 CB ASP A 45 85.889 41.365 26.639 1.00 0.02 C HETATM 1592 CG ASP A 45 84.627 42.162 26.830 1.00 -0.04 C HETATM 1593 CD1 ASP A 45 84.329 43.235 25.994 1.00 -0.06 C HETATM 1594 CE1 ASP A 45 83.165 43.966 26.167 1.00 -0.07 C HETATM 1595 CZ ASP A 45 82.277 43.623 27.169 1.00 -0.07 C HETATM 1596 CE2 ASP A 45 82.553 42.551 28.000 1.00 -0.07 C HETATM 1597 CD2 ASP A 45 83.722 41.826 27.828 1.00 -0.06 C HETATM 1598 H30 ASP A 45 83.932 40.986 28.481 1.00 0.06 H HETATM 1599 H32 ASP A 45 81.856 42.279 28.784 1.00 0.06 H HETATM 1600 H33 ASP A 45 81.365 44.193 27.304 1.00 0.06 H HETATM 1601 H31 ASP A 45 82.951 44.806 25.517 1.00 0.06 H HETATM 1602 H29 ASP A 45 85.016 43.501 25.199 1.00 0.06 H HETATM 1603 H27 ASP A 45 85.754 40.384 27.117 1.00 0.05 H HETATM 1604 H28 ASP A 45 86.051 41.227 25.560 1.00 0.05 H HETATM 1605 H26 ASP A 45 87.957 41.285 27.227 1.00 0.07 H HETATM 1606 H25 ASP A 45 86.669 43.394 28.797 1.00 0.19 H HETATM 1607 CB ASP A 45 86.052 41.285 31.954 1.00 -0.01 C HETATM 1608 CG ASP A 45 84.652 41.724 31.671 1.00 -0.03 C HETATM 1609 CD ASP A 45 84.716 43.208 31.394 1.00 0.04 C HETATM 1610 H23 ASP A 45 84.091 43.473 30.528 1.00 0.05 H HETATM 1611 H24 ASP A 45 84.391 43.786 32.272 1.00 0.05 H HETATM 1612 H21 ASP A 45 84.009 41.527 32.541 1.00 0.03 H HETATM 1613 H22 ASP A 45 84.256 41.191 30.794 1.00 0.03 H HETATM 1614 H19 ASP A 45 86.310 41.444 33.011 1.00 0.03 H HETATM 1615 H20 ASP A 45 86.193 40.225 31.697 1.00 0.03 H HETATM 1616 H18 ASP A 45 87.900 42.318 31.449 1.00 0.08 H HETATM 1617 CB ASP A 45 85.570 46.673 29.872 1.00 -0.00 C HETATM 1618 CG1 ASP A 45 84.463 45.919 29.119 1.00 -0.05 C HETATM 1619 CD1 ASP A 45 83.640 46.797 28.198 1.00 -0.06 C HETATM 1620 H15 ASP A 45 82.873 46.187 27.698 1.00 0.02 H HETATM 1621 H16 ASP A 45 84.296 47.252 27.442 1.00 0.02 H HETATM 1622 H17 ASP A 45 83.153 47.589 28.785 1.00 0.02 H HETATM 1623 H10 ASP A 45 83.788 45.465 29.859 1.00 0.03 H HETATM 1624 H11 ASP A 45 84.931 45.127 28.516 1.00 0.03 H HETATM 1625 CG2 ASP A 45 86.773 46.923 28.963 1.00 -0.06 C HETATM 1626 H12 ASP A 45 87.550 47.463 29.524 1.00 0.02 H HETATM 1627 H13 ASP A 45 86.460 47.526 28.098 1.00 0.02 H HETATM 1628 H14 ASP A 45 87.175 45.961 28.613 1.00 0.02 H HETATM 1629 H9 ASP A 45 85.169 47.653 30.170 1.00 0.03 H HETATM 1630 H8 ASP A 45 85.037 45.639 31.685 1.00 0.08 H HETATM 1631 H7 ASP A 45 87.158 47.600 31.730 1.00 0.19 H HETATM 1632 CB ASP A 45 87.341 48.314 34.818 1.00 0.06 C HETATM 1633 CG ASP A 45 86.333 47.836 35.849 1.00 0.04 C HETATM 1634 OD1 ASP A 45 86.754 47.130 36.794 1.00 -0.57 O HETATM 1635 OD2 ASP A 45 85.128 48.146 35.707 1.00 -0.57 O HETATM 1636 H5 ASP A 45 86.817 48.918 34.063 1.00 0.05 H HETATM 1637 H6 ASP A 45 88.097 48.933 35.322 1.00 0.05 H HETATM 1638 H4 ASP A 45 88.444 46.482 34.891 1.00 0.11 H HETATM 1639 H1 ASP A 45 89.846 48.138 33.903 1.00 0.20 H HETATM 1640 H2 ASP A 45 88.880 48.241 32.574 1.00 0.20 H HETATM 1641 H3 ASP A 45 89.682 46.842 32.902 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1574 1575 1639 1640 1641 CONECT 1575 1574 1576 1632 1638 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1631 CONECT 1579 1578 1580 1617 1630 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1609 CONECT 1583 1582 1584 1607 1616 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 1587 1606 CONECT 1587 1586 1588 1591 1605 CONECT 1588 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1587 1592 1603 1604 CONECT 1592 1591 1593 1597 CONECT 1593 1592 1594 1602 CONECT 1594 1593 1595 1601 CONECT 1595 1594 1596 1600 CONECT 1596 1595 1597 1599 CONECT 1597 1592 1596 1598 CONECT 1598 1597 CONECT 1599 1596 CONECT 1600 1595 CONECT 1601 1594 CONECT 1602 1593 CONECT 1603 1591 CONECT 1604 1591 CONECT 1605 1587 CONECT 1606 1586 CONECT 1607 1583 1608 1614 1615 CONECT 1608 1607 1609 1612 1613 CONECT 1609 1582 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1608 CONECT 1613 1608 CONECT 1614 1607 CONECT 1615 1607 CONECT 1616 1583 CONECT 1617 1579 1618 1625 1629 CONECT 1618 1617 1619 1623 1624 CONECT 1619 1618 1620 1621 1622 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1619 CONECT 1623 1618 CONECT 1624 1618 CONECT 1625 1617 1626 1627 1628 CONECT 1626 1625 CONECT 1627 1625 CONECT 1628 1625 CONECT 1629 1617 CONECT 1630 1579 CONECT 1631 1578 CONECT 1632 1575 1633 1636 1637 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1632 CONECT 1637 1632 CONECT 1638 1575 CONECT 1639 1574 CONECT 1640 1574 CONECT 1641 1574 MASTER 0 0 0 0 0 0 0 0 1640 1 72 12 END
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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
4x1n
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
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
4z0u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease HI
Ligand Name
10-mer
EC.Number
E.C.3.1.26.4
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=2.0uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Biol.Chem. Vol. 290: pp. 14626-14636
Ligand Properties
Formula
C
2
4
H
3
5
N
4
O
7
Molecular Weight
491.557
Exact Mass
491.251
No. of atoms
70
No. of bonds
71
Polar Surface Area
180.75
LOGP Value
0.91 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@H](CC(=O)O)[NH3+])C
InChI String
InChI=1S/C24H34N4O7/c1-3-14(2)20(27-21(31)16(25)13-19(29)30)23(33)28-11-7-10-18(28)22(32)26-17(24(34)35)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,20H,3,7,10-13,25H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)(H,34,35)/p+1/t14-,16-,17-,18-,20-/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):
P0A7Y4
P0AGE0
Entrez Gene ID
NCBI Entrez Gene ID:
61755530
946955
61753715
948570
ASD
Information of known allosteric effects of PDB entries
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