Browse entries in the PDBbind-CN Database
HEADER 5L0H_COMPLEX COMPND 5L0H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 173 GLN PRO VAL ASN GLN PRO ILE LEU ALA ALA ALA GLN SER SEQRES 2 A 173 LEU HIS TRP GLU ALA THR LYS TRP SER SER LYS GLY ASN SEQRES 3 A 173 ASP ILE ILE ALA ALA ALA LYS ARG MET ALA LEU LEU MET SEQRES 4 A 173 ALA GLU MET SER ARG LEU VAL ARG GLY GLY SER GLY THR SEQRES 5 A 173 LYS ARG ALA LEU ILE GLN CYS ALA LYS ASP ILE ALA LYS SEQRES 6 A 173 ALA SER ASP GLU VAL THR ARG LEU ALA LYS GLU VAL ALA SEQRES 7 A 173 LYS GLN CYS THR ASP LYS ARG ILE ARG THR ASN LEU LEU SEQRES 8 A 173 GLN VAL CYS GLU ARG ILE PRO THR ILE SER THR GLN LEU SEQRES 9 A 173 LYS ILE LEU SER THR VAL LYS ALA THR MET LEU GLY ARG SEQRES 10 A 173 THR ASN ILE SER ASP GLU GLU SER GLU GLN ALA THR GLU SEQRES 11 A 173 MET LEU VAL HIS ASN ALA GLN ASN LEU MET GLN SER VAL SEQRES 12 A 173 LYS GLU THR VAL ARG GLU ALA GLU ALA ALA SER ILE LYS SEQRES 13 A 173 ILE ARG THR ASP ALA GLY PHE THR LEU ARG TRP VAL ARG SEQRES 14 A 173 LYS THR PRO TRP HET PIO A 195 55 ATOM 1 N GLN A 960 36.778 16.379 60.821 1.00125.19 N ATOM 2 CA GLN A 960 37.219 15.836 59.542 1.00125.14 C ATOM 3 C GLN A 960 36.180 16.079 58.452 1.00128.39 C ATOM 4 O GLN A 960 36.532 16.338 57.297 1.00128.29 O ATOM 5 CB GLN A 960 37.509 14.339 59.666 1.00126.75 C ATOM 6 CG GLN A 960 38.703 14.010 60.548 1.00146.12 C ATOM 7 CD GLN A 960 38.916 12.517 60.706 1.00166.21 C ATOM 8 OE1 GLN A 960 37.981 11.727 60.572 1.00161.97 O ATOM 9 NE2 GLN A 960 40.151 12.123 60.994 1.00157.23 N ATOM 10 HE22 GLN A 960 40.910 12.826 61.098 1.00 0.00 H ATOM 11 HE21 GLN A 960 40.359 11.111 61.116 1.00 0.00 H ATOM 12 HN3 GLN A 960 35.888 15.921 61.102 1.00 0.00 H ATOM 13 HN2 GLN A 960 36.628 17.404 60.728 1.00 0.00 H ATOM 14 HN1 GLN A 960 37.505 16.198 61.542 1.00 0.00 H ATOM 15 N PRO A 961 34.852 15.989 58.853 1.00123.21 N ATOM 16 CA PRO A 961 33.880 16.232 57.771 1.00121.61 C ATOM 17 C PRO A 961 33.954 17.664 57.252 1.00120.30 C ATOM 18 O PRO A 961 34.150 18.593 58.035 1.00120.10 O ATOM 19 CB PRO A 961 32.522 15.978 58.435 1.00123.64 C ATOM 20 CG PRO A 961 32.728 16.346 59.853 1.00128.62 C ATOM 21 CD PRO A 961 34.119 15.860 60.099 1.00124.55 C ATOM 22 N VAL A 962 33.798 17.833 55.943 1.00111.96 N ATOM 23 CA VAL A 962 33.848 19.155 55.330 1.00109.06 C ATOM 24 C VAL A 962 32.629 19.402 54.448 1.00106.08 C ATOM 25 O VAL A 962 32.147 18.495 53.770 1.00105.39 O ATOM 26 CB VAL A 962 35.125 19.338 54.489 1.00112.79 C ATOM 27 CG1 VAL A 962 36.359 19.276 55.376 1.00112.57 C ATOM 28 CG2 VAL A 962 35.193 18.286 53.393 1.00112.46 C ATOM 29 H VAL A 962 33.636 17.001 55.340 1.00 0.00 H ATOM 30 N ASN A 963 32.136 20.636 54.462 1.00 97.23 N ATOM 31 CA ASN A 963 30.979 21.004 53.668 1.00 93.89 C ATOM 32 C ASN A 963 31.594 21.176 52.272 1.00 93.12 C ATOM 33 O ASN A 963 32.269 22.180 52.005 1.00 92.99 O ATOM 34 CB ASN A 963 30.368 22.317 54.121 1.00 88.78 C ATOM 35 CG ASN A 963 29.088 22.614 53.387 1.00 89.48 C ATOM 36 OD1 ASN A 963 28.833 22.079 52.330 1.00 80.51 O ATOM 37 ND2 ASN A 963 28.234 23.455 53.927 1.00 80.98 N ATOM 38 HD22 ASN A 963 28.457 23.912 54.834 1.00 0.00 H ATOM 39 HD21 ASN A 963 27.335 23.664 53.447 1.00 0.00 H ATOM 40 H ASN A 963 32.591 21.357 55.058 1.00 0.00 H ATOM 41 N GLN A 964 31.375 20.181 51.396 1.00 85.08 N ATOM 42 CA GLN A 964 31.940 20.151 50.049 1.00 81.93 C ATOM 43 C GLN A 964 31.671 21.394 49.189 1.00 79.06 C ATOM 44 O GLN A 964 32.621 21.907 48.591 1.00 77.00 O ATOM 45 CB GLN A 964 31.535 18.883 49.304 1.00 82.87 C ATOM 46 CG GLN A 964 32.142 17.631 49.949 1.00 94.75 C ATOM 47 CD GLN A 964 33.674 17.575 50.010 1.00115.80 C ATOM 48 OE1 GLN A 964 34.401 17.965 49.072 1.00113.02 O ATOM 49 NE2 GLN A 964 34.202 17.067 51.124 1.00104.12 N ATOM 50 HE22 GLN A 964 33.581 16.747 51.895 1.00 0.00 H ATOM 51 HE21 GLN A 964 35.235 16.990 51.222 1.00 0.00 H ATOM 52 H GLN A 964 30.770 19.389 51.693 1.00 0.00 H ATOM 53 N PRO A 965 30.450 21.936 49.110 1.00 73.25 N ATOM 54 CA PRO A 965 30.278 23.116 48.249 1.00 73.54 C ATOM 55 C PRO A 965 31.081 24.339 48.685 1.00 76.24 C ATOM 56 O PRO A 965 31.530 25.079 47.805 1.00 76.80 O ATOM 57 CB PRO A 965 28.769 23.372 48.238 1.00 75.17 C ATOM 58 CG PRO A 965 28.257 22.654 49.388 1.00 79.22 C ATOM 59 CD PRO A 965 29.165 21.495 49.675 1.00 74.06 C ATOM 60 N ILE A 966 31.290 24.543 50.009 1.00 68.86 N ATOM 61 CA ILE A 966 32.112 25.664 50.491 1.00 66.64 C ATOM 62 C ILE A 966 33.582 25.426 50.116 1.00 68.33 C ATOM 63 O ILE A 966 34.239 26.349 49.634 1.00 67.69 O ATOM 64 CB ILE A 966 31.948 25.977 51.990 1.00 68.49 C ATOM 65 CG1 ILE A 966 30.541 26.484 52.294 1.00 67.17 C ATOM 66 CG2 ILE A 966 32.972 27.033 52.430 1.00 69.27 C ATOM 67 CD1 ILE A 966 30.210 26.565 53.824 1.00 62.83 C ATOM 68 H ILE A 966 30.860 23.894 50.698 1.00 0.00 H ATOM 69 N LEU A 967 34.081 24.199 50.316 1.00 63.40 N ATOM 70 CA LEU A 967 35.441 23.864 49.936 1.00 63.32 C ATOM 71 C LEU A 967 35.647 24.056 48.431 1.00 68.63 C ATOM 72 O LEU A 967 36.673 24.615 48.034 1.00 70.72 O ATOM 73 CB LEU A 967 35.821 22.439 50.368 1.00 63.26 C ATOM 74 CG LEU A 967 37.222 21.967 49.945 1.00 67.78 C ATOM 75 CD1 LEU A 967 38.341 22.830 50.592 1.00 67.83 C ATOM 76 CD2 LEU A 967 37.414 20.489 50.227 1.00 69.45 C ATOM 77 H LEU A 967 33.481 23.471 50.753 1.00 0.00 H ATOM 78 N ALA A 968 34.672 23.644 47.607 1.00 62.44 N ATOM 79 CA ALA A 968 34.772 23.807 46.168 1.00 61.35 C ATOM 80 C ALA A 968 34.772 25.286 45.761 1.00 65.95 C ATOM 81 O ALA A 968 35.535 25.669 44.875 1.00 67.39 O ATOM 82 CB ALA A 968 33.652 23.059 45.477 1.00 62.32 C ATOM 83 H ALA A 968 33.823 23.197 48.009 1.00 0.00 H ATOM 84 N ALA A 969 33.946 26.120 46.416 1.00 61.96 N ATOM 85 CA ALA A 969 33.923 27.560 46.154 1.00 62.50 C ATOM 86 C ALA A 969 35.288 28.176 46.518 1.00 66.68 C ATOM 87 O ALA A 969 35.804 29.008 45.770 1.00 67.15 O ATOM 88 CB ALA A 969 32.808 28.234 46.955 1.00 63.55 C ATOM 89 H ALA A 969 33.302 25.729 47.133 1.00 0.00 H ATOM 90 N ALA A 970 35.885 27.729 47.637 1.00 61.79 N ATOM 91 CA ALA A 970 37.196 28.167 48.094 1.00 60.52 C ATOM 92 C ALA A 970 38.283 27.791 47.066 1.00 59.80 C ATOM 93 O ALA A 970 39.097 28.644 46.720 1.00 59.95 O ATOM 94 CB ALA A 970 37.503 27.542 49.448 1.00 61.60 C ATOM 95 H ALA A 970 35.378 27.026 48.212 1.00 0.00 H ATOM 96 N GLN A 971 38.271 26.537 46.562 1.00 52.18 N ATOM 97 CA GLN A 971 39.209 26.057 45.543 1.00 51.05 C ATOM 98 C GLN A 971 39.034 26.788 44.205 1.00 59.90 C ATOM 99 O GLN A 971 40.007 27.029 43.495 1.00 60.78 O ATOM 100 CB GLN A 971 39.089 24.559 45.358 1.00 50.83 C ATOM 101 CG GLN A 971 39.556 23.795 46.604 1.00 60.33 C ATOM 102 CD GLN A 971 39.389 22.303 46.497 1.00 75.09 C ATOM 103 OE1 GLN A 971 38.552 21.783 45.755 1.00 79.31 O ATOM 104 NE2 GLN A 971 40.285 21.582 47.133 1.00 55.84 N ATOM 105 HE22 GLN A 971 40.980 22.045 47.753 1.00 0.00 H ATOM 106 HE21 GLN A 971 40.299 20.549 47.016 1.00 0.00 H ATOM 107 H GLN A 971 37.554 25.873 46.918 1.00 0.00 H ATOM 108 N SER A 972 37.809 27.167 43.875 1.00 57.42 N ATOM 109 CA SER A 972 37.520 27.933 42.682 1.00 57.62 C ATOM 110 C SER A 972 38.274 29.284 42.728 1.00 60.96 C ATOM 111 O SER A 972 38.931 29.648 41.742 1.00 63.50 O ATOM 112 CB SER A 972 36.011 28.146 42.548 1.00 62.42 C ATOM 113 OG SER A 972 35.654 28.933 41.417 1.00 70.82 O ATOM 114 HG SER A 972 34.670 29.035 41.385 1.00 0.00 H ATOM 115 H SER A 972 37.021 26.903 44.500 1.00 0.00 H ATOM 116 N LEU A 973 38.163 29.990 43.849 1.00 52.96 N ATOM 117 CA LEU A 973 38.846 31.263 44.044 1.00 51.33 C ATOM 118 C LEU A 973 40.368 31.100 44.065 1.00 54.71 C ATOM 119 O LEU A 973 41.095 31.917 43.501 1.00 54.77 O ATOM 120 CB LEU A 973 38.372 31.933 45.335 1.00 50.68 C ATOM 121 CG LEU A 973 39.058 33.249 45.707 1.00 55.36 C ATOM 122 CD1 LEU A 973 38.789 34.312 44.653 1.00 54.07 C ATOM 123 CD2 LEU A 973 38.605 33.722 47.080 1.00 58.38 C ATOM 124 H LEU A 973 37.566 29.620 44.616 1.00 0.00 H ATOM 125 N HIS A 974 40.820 30.037 44.725 1.00 49.33 N ATOM 126 CA HIS A 974 42.238 29.719 44.846 1.00 48.32 C ATOM 127 C HIS A 974 42.860 29.428 43.486 1.00 55.47 C ATOM 128 O HIS A 974 43.995 29.822 43.215 1.00 57.33 O ATOM 129 CB HIS A 974 42.441 28.526 45.782 1.00 48.30 C ATOM 130 CG HIS A 974 43.878 28.165 45.997 1.00 51.00 C ATOM 131 ND1 HIS A 974 44.784 29.028 46.576 1.00 52.01 N ATOM 132 CD2 HIS A 974 44.566 27.035 45.711 1.00 51.66 C ATOM 133 CE1 HIS A 974 45.968 28.445 46.637 1.00 51.05 C ATOM 134 NE2 HIS A 974 45.863 27.235 46.118 1.00 51.28 N ATOM 135 H HIS A 974 40.130 29.403 45.176 1.00 0.00 H ATOM 136 N TRP A 975 42.112 28.736 42.632 1.00 52.09 N ATOM 137 CA TRP A 975 42.600 28.393 41.305 1.00 50.67 C ATOM 138 C TRP A 975 42.881 29.674 40.535 1.00 55.31 C ATOM 139 O TRP A 975 43.880 29.776 39.823 1.00 54.23 O ATOM 140 CB TRP A 975 41.575 27.540 40.557 1.00 48.68 C ATOM 141 CG TRP A 975 41.991 27.187 39.162 1.00 48.56 C ATOM 142 CD1 TRP A 975 41.512 27.726 38.003 1.00 51.03 C ATOM 143 CD2 TRP A 975 42.971 26.216 38.777 1.00 47.89 C ATOM 144 NE1 TRP A 975 42.134 27.151 36.921 1.00 50.14 N ATOM 145 CE2 TRP A 975 43.034 26.221 37.370 1.00 50.77 C ATOM 146 CE3 TRP A 975 43.802 25.343 39.486 1.00 48.16 C ATOM 147 CZ2 TRP A 975 43.894 25.387 36.658 1.00 49.21 C ATOM 148 CZ3 TRP A 975 44.655 24.516 38.778 1.00 49.51 C ATOM 149 CH2 TRP A 975 44.694 24.544 37.378 1.00 49.99 C ATOM 150 HE1 TRP A 975 41.951 27.384 35.924 1.00 0.00 H ATOM 151 H TRP A 975 41.159 28.434 42.918 1.00 0.00 H ATOM 152 N GLU A 976 41.998 30.655 40.688 1.00 53.10 N ATOM 153 CA GLU A 976 42.171 31.923 40.030 1.00 53.80 C ATOM 154 C GLU A 976 43.261 32.798 40.603 1.00 57.64 C ATOM 155 O GLU A 976 44.091 33.294 39.893 1.00 56.83 O ATOM 156 CB GLU A 976 40.870 32.682 40.097 1.00 55.67 C ATOM 157 CG GLU A 976 40.798 33.846 39.146 1.00 71.68 C ATOM 158 CD GLU A 976 40.761 33.406 37.717 1.00 96.63 C ATOM 159 OE1 GLU A 976 40.155 32.371 37.418 1.00 65.01 O ATOM 160 OE2 GLU A 976 41.349 34.106 36.894 1.00105.21 O ATOM 161 H GLU A 976 41.167 30.504 41.294 1.00 0.00 H ATOM 162 N ALA A 977 43.271 32.958 41.912 1.00 54.54 N ATOM 163 CA ALA A 977 44.263 33.772 42.594 1.00 54.55 C ATOM 164 C ALA A 977 45.689 33.251 42.413 1.00 59.35 C ATOM 165 O ALA A 977 46.621 34.060 42.323 1.00 59.84 O ATOM 166 CB ALA A 977 43.917 33.910 44.062 1.00 55.27 C ATOM 167 H ALA A 977 42.540 32.483 42.479 1.00 0.00 H ATOM 168 N THR A 978 45.863 31.915 42.299 1.00 54.54 N ATOM 169 CA THR A 978 47.210 31.360 42.189 1.00 54.89 C ATOM 170 C THR A 978 47.727 31.394 40.765 1.00 62.72 C ATOM 171 O THR A 978 48.821 30.890 40.515 1.00 63.71 O ATOM 172 CB THR A 978 47.355 29.983 42.860 1.00 54.86 C ATOM 173 OG1 THR A 978 46.469 29.062 42.257 1.00 59.93 O ATOM 174 CG2 THR A 978 47.101 30.028 44.361 1.00 47.85 C ATOM 175 HG1 THR A 978 45.538 29.383 42.364 1.00 0.00 H ATOM 176 H THR A 978 45.038 31.282 42.290 1.00 0.00 H ATOM 177 N LYS A 979 46.993 32.050 39.852 1.00 60.49 N ATOM 178 CA LYS A 979 47.471 32.286 38.497 1.00 61.08 C ATOM 179 C LYS A 979 48.546 33.375 38.569 1.00 69.45 C ATOM 180 O LYS A 979 49.381 33.449 37.663 1.00 69.78 O ATOM 181 CB LYS A 979 46.337 32.777 37.585 1.00 62.29 C ATOM 182 CG LYS A 979 45.446 31.655 37.101 1.00 63.91 C ATOM 183 CD LYS A 979 44.173 32.194 36.453 1.00 74.85 C ATOM 184 CE LYS A 979 43.405 31.082 35.815 1.00 64.70 C ATOM 185 NZ LYS A 979 42.343 31.674 34.999 1.00 74.38 N ATOM 186 HZ1 LYS A 979 41.717 32.241 35.605 1.00 0.00 H ATOM 187 HZ2 LYS A 979 42.766 32.283 34.270 1.00 0.00 H ATOM 188 HZ3 LYS A 979 41.794 30.917 34.544 1.00 0.00 H ATOM 189 H LYS A 979 46.052 32.401 40.122 1.00 0.00 H ATOM 190 N TRP A 980 48.528 34.214 39.634 1.00 67.25 N ATOM 191 CA TRP A 980 49.456 35.324 39.764 1.00 67.92 C ATOM 192 C TRP A 980 50.224 35.339 41.065 1.00 68.64 C ATOM 193 O TRP A 980 49.804 34.752 42.067 1.00 70.41 O ATOM 194 CB TRP A 980 48.721 36.663 39.595 1.00 68.60 C ATOM 195 CG TRP A 980 48.158 36.922 38.223 1.00 71.61 C ATOM 196 CD1 TRP A 980 48.810 37.442 37.133 1.00 74.97 C ATOM 197 CD2 TRP A 980 46.807 36.721 37.820 1.00 72.13 C ATOM 198 NE1 TRP A 980 47.936 37.567 36.069 1.00 74.94 N ATOM 199 CE2 TRP A 980 46.698 37.143 36.469 1.00 76.65 C ATOM 200 CE3 TRP A 980 45.667 36.249 38.478 1.00 73.87 C ATOM 201 CZ2 TRP A 980 45.504 37.083 35.768 1.00 76.48 C ATOM 202 CZ3 TRP A 980 44.479 36.195 37.777 1.00 76.39 C ATOM 203 CH2 TRP A 980 44.401 36.619 36.442 1.00 77.23 C ATOM 204 HE1 TRP A 980 48.179 37.924 35.123 1.00 0.00 H ATOM 205 H TRP A 980 47.825 34.057 40.384 1.00 0.00 H ATOM 206 N SER A 981 51.350 36.041 41.040 1.00 60.19 N ATOM 207 CA SER A 981 52.214 36.308 42.169 1.00 57.49 C ATOM 208 C SER A 981 51.597 37.365 43.126 1.00 60.18 C ATOM 209 O SER A 981 50.951 38.326 42.678 1.00 59.60 O ATOM 210 CB SER A 981 53.552 36.804 41.644 1.00 57.20 C ATOM 211 OG SER A 981 54.406 37.083 42.731 1.00 60.41 O ATOM 212 HG SER A 981 55.277 37.406 42.390 1.00 0.00 H ATOM 213 H SER A 981 51.638 36.436 40.122 1.00 0.00 H ATOM 214 N SER A 982 51.805 37.182 44.442 1.00 56.40 N ATOM 215 CA SER A 982 51.330 38.125 45.471 1.00 55.72 C ATOM 216 C SER A 982 52.276 39.308 45.587 1.00 60.46 C ATOM 217 O SER A 982 51.885 40.339 46.132 1.00 59.80 O ATOM 218 CB SER A 982 51.230 37.447 46.833 1.00 55.00 C ATOM 219 OG SER A 982 50.271 36.411 46.834 1.00 60.48 O ATOM 220 HG SER A 982 50.235 35.997 47.732 1.00 0.00 H ATOM 221 H SER A 982 52.325 36.335 44.748 1.00 0.00 H ATOM 222 N LYS A 983 53.505 39.093 45.121 1.00 58.02 N ATOM 223 CA LYS A 983 54.563 40.085 45.155 1.00 57.75 C ATOM 224 C LYS A 983 54.057 41.333 44.481 1.00 63.77 C ATOM 225 O LYS A 983 53.693 41.317 43.305 1.00 64.25 O ATOM 226 CB LYS A 983 55.811 39.567 44.440 1.00 60.25 C ATOM 227 CG LYS A 983 56.394 38.301 45.048 1.00 69.07 C ATOM 228 CD LYS A 983 57.629 37.842 44.289 1.00 56.05 C ATOM 229 CE LYS A 983 58.216 36.581 44.902 1.00 52.37 C ATOM 230 NZ LYS A 983 58.625 36.790 46.318 1.00 70.64 N ATOM 231 HZ1 LYS A 983 59.344 37.540 46.363 1.00 0.00 H ATOM 232 HZ2 LYS A 983 57.796 37.070 46.879 1.00 0.00 H ATOM 233 HZ3 LYS A 983 59.020 35.906 46.698 1.00 0.00 H ATOM 234 H LYS A 983 53.718 38.162 44.710 1.00 0.00 H ATOM 235 N GLY A 984 54.028 42.421 45.233 1.00 59.03 N ATOM 236 CA GLY A 984 53.535 43.670 44.687 1.00 58.27 C ATOM 237 C GLY A 984 52.074 43.651 44.256 1.00 62.10 C ATOM 238 O GLY A 984 51.665 44.502 43.462 1.00 64.18 O ATOM 239 H GLY A 984 54.360 42.380 46.218 1.00 0.00 H ATOM 240 N ASN A 985 51.342 42.630 44.697 1.00 56.07 N ATOM 241 CA ASN A 985 49.936 42.439 44.343 1.00 55.30 C ATOM 242 C ASN A 985 49.068 42.062 45.543 1.00 61.75 C ATOM 243 O ASN A 985 48.818 40.881 45.784 1.00 63.50 O ATOM 244 CB ASN A 985 49.801 41.378 43.248 1.00 53.42 C ATOM 245 CG ASN A 985 48.414 41.344 42.638 1.00 64.34 C ATOM 246 OD1 ASN A 985 47.731 42.365 42.562 1.00 63.83 O ATOM 247 ND2 ASN A 985 47.990 40.164 42.199 1.00 45.28 N ATOM 248 HD22 ASN A 985 48.602 39.327 42.284 1.00 0.00 H ATOM 249 HD21 ASN A 985 47.046 40.077 41.771 1.00 0.00 H ATOM 250 H ASN A 985 51.793 41.934 45.324 1.00 0.00 H ATOM 251 N ASP A 986 48.615 43.057 46.294 1.00 59.64 N ATOM 252 CA ASP A 986 47.788 42.805 47.471 1.00 60.27 C ATOM 253 C ASP A 986 46.450 42.124 47.163 1.00 62.55 C ATOM 254 O ASP A 986 46.006 41.253 47.912 1.00 62.95 O ATOM 255 CB ASP A 986 47.543 44.108 48.237 1.00 62.66 C ATOM 256 CG ASP A 986 48.787 44.614 48.940 1.00 73.79 C ATOM 257 OD1 ASP A 986 49.752 43.833 49.078 1.00 70.83 O ATOM 258 OD2 ASP A 986 48.801 45.792 49.354 1.00 82.56 O ATOM 259 H ASP A 986 48.854 44.037 46.039 1.00 0.00 H ATOM 260 N ILE A 987 45.807 42.525 46.070 1.00 56.72 N ATOM 261 CA ILE A 987 44.518 41.974 45.695 1.00 55.72 C ATOM 262 C ILE A 987 44.717 40.460 45.663 1.00 57.17 C ATOM 263 O ILE A 987 43.928 39.728 46.266 1.00 56.32 O ATOM 264 CB ILE A 987 44.023 42.534 44.342 1.00 59.18 C ATOM 265 CG1 ILE A 987 43.415 43.939 44.546 1.00 59.70 C ATOM 266 CG2 ILE A 987 43.012 41.591 43.689 1.00 59.07 C ATOM 267 CD1 ILE A 987 42.919 44.597 43.265 1.00 61.62 C ATOM 268 H ILE A 987 46.240 43.254 45.467 1.00 0.00 H ATOM 269 N ILE A 988 45.781 40.002 44.973 1.00 51.84 N ATOM 270 CA ILE A 988 46.139 38.597 44.900 1.00 51.06 C ATOM 271 C ILE A 988 46.386 38.038 46.315 1.00 56.68 C ATOM 272 O ILE A 988 45.810 37.000 46.656 1.00 54.82 O ATOM 273 CB ILE A 988 47.321 38.356 43.925 1.00 54.12 C ATOM 274 CG1 ILE A 988 46.922 38.667 42.454 1.00 53.83 C ATOM 275 CG2 ILE A 988 47.888 36.942 44.068 1.00 54.35 C ATOM 276 CD1 ILE A 988 45.745 37.904 41.923 1.00 52.96 C ATOM 277 H ILE A 988 46.375 40.690 44.468 1.00 0.00 H ATOM 278 N ALA A 989 47.200 38.729 47.158 1.00 55.43 N ATOM 279 CA ALA A 989 47.443 38.268 48.537 1.00 55.39 C ATOM 280 C ALA A 989 46.140 38.100 49.355 1.00 59.91 C ATOM 281 O ALA A 989 45.920 37.047 49.952 1.00 60.60 O ATOM 282 CB ALA A 989 48.393 39.209 49.245 1.00 56.31 C ATOM 283 H ALA A 989 47.660 39.600 46.823 1.00 0.00 H ATOM 284 N ALA A 990 45.259 39.118 49.342 1.00 56.31 N ATOM 285 CA ALA A 990 43.972 39.094 50.069 1.00 55.17 C ATOM 286 C ALA A 990 43.040 37.996 49.558 1.00 60.23 C ATOM 287 O ALA A 990 42.414 37.305 50.366 1.00 60.28 O ATOM 288 CB ALA A 990 43.284 40.452 50.004 1.00 55.06 C ATOM 289 H ALA A 990 45.497 39.967 48.791 1.00 0.00 H ATOM 290 N ALA A 991 42.982 37.807 48.216 1.00 55.01 N ATOM 291 CA ALA A 991 42.172 36.769 47.590 1.00 53.04 C ATOM 292 C ALA A 991 42.657 35.365 48.008 1.00 58.39 C ATOM 293 O ALA A 991 41.823 34.473 48.228 1.00 60.24 O ATOM 294 CB ALA A 991 42.217 36.915 46.077 1.00 53.14 C ATOM 295 H ALA A 991 43.543 38.433 47.604 1.00 0.00 H ATOM 296 N LYS A 992 43.997 35.158 48.091 1.00 52.04 N ATOM 297 CA LYS A 992 44.579 33.889 48.509 1.00 50.22 C ATOM 298 C LYS A 992 44.210 33.652 49.974 1.00 56.82 C ATOM 299 O LYS A 992 43.869 32.525 50.348 1.00 57.36 O ATOM 300 CB LYS A 992 46.104 33.914 48.329 1.00 49.93 C ATOM 301 CG LYS A 992 46.559 33.547 46.928 1.00 51.88 C ATOM 302 CD LYS A 992 48.033 33.932 46.668 1.00 46.14 C ATOM 303 CE LYS A 992 48.519 33.533 45.285 1.00 49.50 C ATOM 304 NZ LYS A 992 49.784 34.235 44.908 1.00 52.96 N ATOM 305 HZ1 LYS A 992 49.623 35.262 44.911 1.00 0.00 H ATOM 306 HZ2 LYS A 992 50.529 33.998 45.594 1.00 0.00 H ATOM 307 HZ3 LYS A 992 50.077 33.932 43.957 1.00 0.00 H ATOM 308 H LYS A 992 44.636 35.940 47.845 1.00 0.00 H ATOM 309 N ARG A 993 44.270 34.699 50.789 1.00 54.27 N ATOM 310 CA ARG A 993 43.926 34.573 52.197 1.00 54.63 C ATOM 311 C ARG A 993 42.461 34.176 52.343 1.00 59.19 C ATOM 312 O ARG A 993 42.114 33.337 53.175 1.00 58.14 O ATOM 313 CB ARG A 993 44.194 35.885 52.937 1.00 53.76 C ATOM 314 CG ARG A 993 45.667 36.231 53.073 1.00 57.13 C ATOM 315 CD ARG A 993 45.880 37.354 54.074 1.00 64.58 C ATOM 316 NE ARG A 993 45.243 38.596 53.647 1.00 70.33 N ATOM 317 CZ ARG A 993 45.810 39.489 52.842 1.00 85.33 C ATOM 318 NH1 ARG A 993 45.155 40.592 52.505 1.00 70.19 N ATOM 319 NH2 ARG A 993 47.032 39.279 52.372 1.00 83.00 N ATOM 320 HE ARG A 993 44.283 38.795 53.995 1.00 0.00 H ATOM 321 HH12 ARG A 993 45.600 41.289 51.875 1.00 0.00 H ATOM 322 HH11 ARG A 993 44.196 40.760 52.871 1.00 0.00 H ATOM 323 HH22 ARG A 993 47.474 39.979 51.742 1.00 0.00 H ATOM 324 HH21 ARG A 993 47.548 38.415 52.633 1.00 0.00 H ATOM 325 H ARG A 993 44.567 35.623 50.415 1.00 0.00 H ATOM 326 N MET A 994 41.605 34.783 51.526 1.00 56.25 N ATOM 327 CA MET A 994 40.176 34.491 51.558 1.00 56.16 C ATOM 328 C MET A 994 39.888 33.043 51.172 1.00 57.67 C ATOM 329 O MET A 994 39.051 32.382 51.786 1.00 57.88 O ATOM 330 CB MET A 994 39.414 35.442 50.632 1.00 59.46 C ATOM 331 CG MET A 994 39.405 36.888 51.100 1.00 65.79 C ATOM 332 SD MET A 994 38.573 37.990 49.940 1.00 72.37 S ATOM 333 CE MET A 994 36.864 37.510 50.183 1.00 68.61 C ATOM 334 H MET A 994 41.964 35.484 50.847 1.00 0.00 H ATOM 335 N ALA A 995 40.588 32.556 50.152 1.00 50.44 N ATOM 336 CA ALA A 995 40.412 31.185 49.686 1.00 49.36 C ATOM 337 C ALA A 995 40.812 30.204 50.779 1.00 52.85 C ATOM 338 O ALA A 995 40.153 29.186 50.992 1.00 51.65 O ATOM 339 CB ALA A 995 41.227 30.943 48.426 1.00 50.10 C ATOM 340 H ALA A 995 41.279 33.169 49.674 1.00 0.00 H ATOM 341 N LEU A 996 41.900 30.525 51.469 1.00 50.69 N ATOM 342 CA LEU A 996 42.420 29.680 52.570 1.00 49.64 C ATOM 343 C LEU A 996 41.474 29.677 53.765 1.00 51.20 C ATOM 344 O LEU A 996 41.212 28.615 54.340 1.00 49.52 O ATOM 345 CB LEU A 996 43.839 30.117 53.001 1.00 49.01 C ATOM 346 CG LEU A 996 45.010 29.726 52.058 1.00 51.47 C ATOM 347 CD1 LEU A 996 46.326 30.367 52.495 1.00 49.79 C ATOM 348 CD2 LEU A 996 45.174 28.232 51.956 1.00 50.58 C ATOM 349 H LEU A 996 42.406 31.401 51.228 1.00 0.00 H ATOM 350 N LEU A 997 40.956 30.864 54.114 1.00 48.32 N ATOM 351 CA LEU A 997 40.018 31.021 55.223 1.00 50.33 C ATOM 352 C LEU A 997 38.683 30.371 54.921 1.00 56.78 C ATOM 353 O LEU A 997 38.091 29.750 55.797 1.00 55.15 O ATOM 354 CB LEU A 997 39.811 32.492 55.574 1.00 50.72 C ATOM 355 CG LEU A 997 40.986 33.222 56.194 1.00 55.27 C ATOM 356 CD1 LEU A 997 40.768 34.738 56.123 1.00 54.66 C ATOM 357 CD2 LEU A 997 41.260 32.725 57.599 1.00 56.22 C ATOM 358 H LEU A 997 41.234 31.708 53.573 1.00 0.00 H ATOM 359 N MET A 998 38.221 30.480 53.663 1.00 55.67 N ATOM 360 CA MET A 998 36.970 29.864 53.252 1.00 55.20 C ATOM 361 C MET A 998 37.070 28.337 53.318 1.00 60.11 C ATOM 362 O MET A 998 36.080 27.715 53.653 1.00 60.56 O ATOM 363 CB MET A 998 36.519 30.394 51.892 1.00 57.41 C ATOM 364 CG MET A 998 35.134 30.018 51.504 1.00 61.46 C ATOM 365 SD MET A 998 33.919 30.716 52.598 1.00 66.14 S ATOM 366 CE MET A 998 33.743 32.354 51.943 1.00 61.98 C ATOM 367 H MET A 998 38.773 31.019 52.966 1.00 0.00 H ATOM 368 N ALA A 999 38.255 27.731 53.060 1.00 57.59 N ATOM 369 CA ALA A 999 38.446 26.268 53.200 1.00 57.67 C ATOM 370 C ALA A 999 38.349 25.874 54.677 1.00 65.42 C ATOM 371 O ALA A 999 37.839 24.794 54.998 1.00 67.25 O ATOM 372 CB ALA A 999 39.787 25.831 52.650 1.00 57.92 C ATOM 373 H ALA A 999 39.059 28.314 52.753 1.00 0.00 H ATOM 374 N GLU A1000 38.828 26.749 55.570 1.00 62.40 N ATOM 375 CA GLU A1000 38.733 26.535 56.997 1.00 64.04 C ATOM 376 C GLU A1000 37.256 26.588 57.418 1.00 69.40 C ATOM 377 O GLU A1000 36.786 25.760 58.211 1.00 68.57 O ATOM 378 CB GLU A1000 39.579 27.589 57.729 1.00 66.42 C ATOM 379 CG GLU A1000 39.446 27.565 59.246 1.00 89.84 C ATOM 380 CD GLU A1000 39.726 26.247 59.963 1.00126.70 C ATOM 381 OE1 GLU A1000 40.247 25.299 59.328 1.00118.47 O ATOM 382 OE2 GLU A1000 39.446 26.175 61.182 1.00127.11 O ATOM 383 H GLU A1000 39.286 27.616 55.224 1.00 0.00 H ATOM 384 N MET A1001 36.526 27.544 56.838 1.00 66.83 N ATOM 385 CA MET A1001 35.102 27.688 57.032 1.00 66.86 C ATOM 386 C MET A1001 34.330 26.401 56.702 1.00 72.45 C ATOM 387 O MET A1001 33.456 26.031 57.463 1.00 72.68 O ATOM 388 CB MET A1001 34.552 28.859 56.234 1.00 69.34 C ATOM 389 CG MET A1001 33.096 29.031 56.507 1.00 73.56 C ATOM 390 SD MET A1001 32.311 30.399 55.759 1.00 79.14 S ATOM 391 CE MET A1001 32.847 31.721 56.833 1.00 76.00 C ATOM 392 H MET A1001 37.009 28.221 56.213 1.00 0.00 H ATOM 393 N SER A1002 34.651 25.708 55.605 1.00 71.12 N ATOM 394 CA SER A1002 33.938 24.475 55.270 1.00 72.28 C ATOM 395 C SER A1002 34.140 23.381 56.318 1.00 78.63 C ATOM 396 O SER A1002 33.237 22.579 56.529 1.00 78.03 O ATOM 397 CB SER A1002 34.308 23.980 53.875 1.00 75.79 C ATOM 398 OG SER A1002 35.461 23.158 53.897 1.00 78.13 O ATOM 399 HG SER A1002 36.226 23.673 54.257 1.00 0.00 H ATOM 400 H SER A1002 35.413 26.048 54.985 1.00 0.00 H ATOM 401 N ARG A1003 35.315 23.353 56.974 1.00 77.17 N ATOM 402 CA ARG A1003 35.600 22.414 58.060 1.00 77.35 C ATOM 403 C ARG A1003 34.738 22.806 59.267 1.00 82.93 C ATOM 404 O ARG A1003 34.057 21.962 59.845 1.00 82.69 O ATOM 405 CB ARG A1003 37.091 22.446 58.455 1.00 77.38 C ATOM 406 CG ARG A1003 38.021 21.839 57.420 1.00 96.51 C ATOM 407 CD ARG A1003 39.503 22.091 57.685 1.00120.35 C ATOM 408 NE ARG A1003 40.250 22.101 56.420 1.00138.26 N ATOM 409 CZ ARG A1003 40.981 23.120 55.965 1.00150.18 C ATOM 410 NH1 ARG A1003 41.139 24.215 56.700 1.00133.53 N ATOM 411 NH2 ARG A1003 41.593 23.033 54.791 1.00132.96 N ATOM 412 HE ARG A1003 40.205 21.245 55.832 1.00 0.00 H ATOM 413 HH12 ARG A1003 41.710 25.006 56.339 1.00 0.00 H ATOM 414 HH11 ARG A1003 40.692 24.282 57.636 1.00 0.00 H ATOM 415 HH22 ARG A1003 42.162 23.830 54.441 1.00 0.00 H ATOM 416 HH21 ARG A1003 41.504 22.168 54.221 1.00 0.00 H ATOM 417 H ARG A1003 36.054 24.030 56.696 1.00 0.00 H ATOM 418 N LEU A1004 34.742 24.092 59.614 1.00 81.11 N ATOM 419 CA LEU A1004 34.045 24.611 60.785 1.00 82.35 C ATOM 420 C LEU A1004 32.534 24.454 60.781 1.00 94.37 C ATOM 421 O LEU A1004 31.963 24.135 61.818 1.00 95.07 O ATOM 422 CB LEU A1004 34.409 26.070 61.033 1.00 81.49 C ATOM 423 CG LEU A1004 35.864 26.380 61.350 1.00 85.03 C ATOM 424 CD1 LEU A1004 36.063 27.857 61.418 1.00 85.15 C ATOM 425 CD2 LEU A1004 36.331 25.722 62.643 1.00 86.58 C ATOM 426 H LEU A1004 35.270 24.761 59.018 1.00 0.00 H ATOM 427 N VAL A1005 31.881 24.705 59.643 1.00 96.15 N ATOM 428 CA VAL A1005 30.420 24.583 59.495 1.00 97.76 C ATOM 429 C VAL A1005 30.040 23.099 59.667 1.00109.05 C ATOM 430 O VAL A1005 28.983 22.787 60.235 1.00108.26 O ATOM 431 CB VAL A1005 29.972 25.162 58.119 1.00100.38 C ATOM 432 CG1 VAL A1005 28.515 24.863 57.814 1.00100.13 C ATOM 433 CG2 VAL A1005 30.214 26.659 58.051 1.00 99.97 C ATOM 434 H VAL A1005 32.435 25.003 58.815 1.00 0.00 H ATOM 435 N ARG A1006 30.888 22.211 59.158 1.00111.64 N ATOM 436 CA ARG A1006 30.647 20.774 59.232 1.00114.23 C ATOM 437 C ARG A1006 31.177 20.132 60.511 1.00124.61 C ATOM 438 O ARG A1006 30.951 18.946 60.752 1.00125.59 O ATOM 439 CB ARG A1006 31.244 20.071 58.010 1.00115.49 C ATOM 440 CG ARG A1006 30.637 20.506 56.686 1.00127.91 C ATOM 441 CD ARG A1006 29.165 20.138 56.606 1.00139.56 C ATOM 442 NE ARG A1006 28.955 18.696 56.702 1.00152.86 N ATOM 443 CZ ARG A1006 29.079 17.853 55.682 1.00172.33 C ATOM 444 NH1 ARG A1006 29.413 18.307 54.481 1.00159.79 N ATOM 445 NH2 ARG A1006 28.869 16.557 55.861 1.00162.81 N ATOM 446 HE ARG A1006 28.691 18.303 57.628 1.00 0.00 H ATOM 447 HH12 ARG A1006 29.510 17.646 53.684 1.00 0.00 H ATOM 448 HH11 ARG A1006 29.578 19.324 54.337 1.00 0.00 H ATOM 449 HH22 ARG A1006 28.967 15.899 55.061 1.00 0.00 H ATOM 450 HH21 ARG A1006 28.607 16.198 56.801 1.00 0.00 H ATOM 451 H ARG A1006 31.753 22.552 58.691 1.00 0.00 H ATOM 452 N GLY A1007 31.823 20.939 61.353 1.00123.79 N ATOM 453 CA GLY A1007 32.362 20.479 62.625 1.00124.49 C ATOM 454 C GLY A1007 31.424 20.788 63.784 1.00130.32 C ATOM 455 O GLY A1007 30.963 21.919 63.943 1.00129.73 O ATOM 456 H GLY A1007 31.947 21.938 61.091 1.00 0.00 H ATOM 457 N GLY A1008 31.137 19.767 64.587 1.00127.69 N ATOM 458 CA GLY A1008 30.230 19.863 65.722 1.00127.62 C ATOM 459 C GLY A1008 30.471 20.740 66.945 1.00131.61 C ATOM 460 O GLY A1008 29.528 21.353 67.445 1.00131.45 O ATOM 461 H GLY A1008 31.586 18.849 64.393 1.00 0.00 H ATOM 462 N SER A1009 31.703 20.803 67.446 1.00127.73 N ATOM 463 CA SER A1009 31.983 21.596 68.649 1.00126.78 C ATOM 464 C SER A1009 33.168 22.553 68.526 1.00127.02 C ATOM 465 O SER A1009 34.057 22.349 67.700 1.00126.24 O ATOM 466 CB SER A1009 32.185 20.675 69.856 1.00130.42 C ATOM 467 OG SER A1009 33.326 19.852 69.684 1.00137.72 O ATOM 468 HG SER A1009 33.433 19.268 70.476 1.00 0.00 H ATOM 469 H SER A1009 32.475 20.285 66.980 1.00 0.00 H ATOM 470 N GLY A1010 33.173 23.602 69.350 1.00120.35 N ATOM 471 CA GLY A1010 34.246 24.578 69.304 1.00118.22 C ATOM 472 C GLY A1010 34.162 25.441 68.063 1.00117.31 C ATOM 473 O GLY A1010 34.928 26.389 67.889 1.00116.63 O ATOM 474 H GLY A1010 32.399 23.722 70.034 1.00 0.00 H ATOM 475 N THR A1011 33.215 25.100 67.200 1.00109.55 N ATOM 476 CA THR A1011 32.987 25.827 65.960 1.00106.58 C ATOM 477 C THR A1011 32.486 27.245 66.196 1.00104.22 C ATOM 478 O THR A1011 32.864 28.180 65.489 1.00103.69 O ATOM 479 CB THR A1011 31.984 25.089 65.052 1.00114.10 C ATOM 480 OG1 THR A1011 30.728 24.959 65.730 1.00113.85 O ATOM 481 CG2 THR A1011 32.507 23.706 64.695 1.00111.62 C ATOM 482 HG1 THR A1011 30.086 24.485 65.145 1.00 0.00 H ATOM 483 H THR A1011 32.612 24.281 67.418 1.00 0.00 H ATOM 484 N LYS A1012 31.616 27.388 67.190 1.00 96.51 N ATOM 485 CA LYS A1012 30.996 28.670 67.500 1.00 94.08 C ATOM 486 C LYS A1012 31.922 29.883 67.624 1.00 91.47 C ATOM 487 O LYS A1012 31.560 30.965 67.162 1.00 90.67 O ATOM 488 CB LYS A1012 30.146 28.547 68.769 1.00 97.16 C ATOM 489 CG LYS A1012 29.396 29.816 69.140 1.00117.87 C ATOM 490 CD LYS A1012 28.375 29.554 70.235 1.00128.97 C ATOM 491 CE LYS A1012 29.052 29.290 71.570 1.00137.83 C ATOM 492 NZ LYS A1012 28.070 29.222 72.687 1.00141.13 N ATOM 493 HZ1 LYS A1012 27.559 30.125 72.753 1.00 0.00 H ATOM 494 HZ2 LYS A1012 27.394 28.453 72.506 1.00 0.00 H ATOM 495 HZ3 LYS A1012 28.573 29.041 73.579 1.00 0.00 H ATOM 496 H LYS A1012 31.369 26.558 67.766 1.00 0.00 H ATOM 497 N ARG A1013 33.095 29.744 68.237 1.00 84.25 N ATOM 498 CA ARG A1013 33.933 30.923 68.357 1.00 82.55 C ATOM 499 C ARG A1013 34.737 31.094 67.074 1.00 83.84 C ATOM 500 O ARG A1013 34.984 32.206 66.608 1.00 82.51 O ATOM 501 CB ARG A1013 34.871 30.798 69.558 1.00 81.62 C ATOM 502 CG ARG A1013 34.163 30.809 70.902 1.00 91.98 C ATOM 503 CD ARG A1013 35.156 30.731 72.051 1.00102.06 C ATOM 504 NE ARG A1013 34.489 30.670 73.348 1.00101.86 N ATOM 505 CZ ARG A1013 35.117 30.482 74.503 1.00 97.67 C ATOM 506 NH1 ARG A1013 36.435 30.335 74.527 1.00 82.85 N ATOM 507 NH2 ARG A1013 34.429 30.440 75.636 1.00 56.81 N ATOM 508 HE ARG A1013 33.455 30.781 73.369 1.00 0.00 H ATOM 509 HH12 ARG A1013 36.925 30.188 75.432 1.00 0.00 H ATOM 510 HH11 ARG A1013 36.978 30.367 73.641 1.00 0.00 H ATOM 511 HH22 ARG A1013 34.923 30.293 76.539 1.00 0.00 H ATOM 512 HH21 ARG A1013 33.395 30.554 75.621 1.00 0.00 H ATOM 513 H ARG A1013 33.400 28.825 68.616 1.00 0.00 H ATOM 514 N ALA A1014 35.153 29.955 66.531 1.00 78.90 N ATOM 515 CA ALA A1014 36.008 29.871 65.352 1.00 77.82 C ATOM 516 C ALA A1014 35.241 30.231 64.094 1.00 83.17 C ATOM 517 O ALA A1014 35.781 30.941 63.248 1.00 84.25 O ATOM 518 CB ALA A1014 36.615 28.496 65.233 1.00 78.24 C ATOM 519 H ALA A1014 34.849 29.065 66.976 1.00 0.00 H ATOM 520 N LEU A1015 33.967 29.797 63.996 1.00 78.52 N ATOM 521 CA LEU A1015 33.061 30.124 62.893 1.00 77.38 C ATOM 522 C LEU A1015 32.891 31.655 62.767 1.00 78.30 C ATOM 523 O LEU A1015 33.009 32.203 61.669 1.00 79.07 O ATOM 524 CB LEU A1015 31.700 29.421 63.115 1.00 77.57 C ATOM 525 CG LEU A1015 30.699 29.361 61.947 1.00 82.02 C ATOM 526 CD1 LEU A1015 31.401 29.012 60.649 1.00 82.33 C ATOM 527 CD2 LEU A1015 29.572 28.353 62.235 1.00 84.17 C ATOM 528 H LEU A1015 33.603 29.188 64.757 1.00 0.00 H ATOM 529 N ILE A1016 32.674 32.338 63.893 1.00 71.73 N ATOM 530 CA ILE A1016 32.504 33.791 63.935 1.00 70.80 C ATOM 531 C ILE A1016 33.821 34.520 63.580 1.00 73.98 C ATOM 532 O ILE A1016 33.795 35.513 62.855 1.00 75.40 O ATOM 533 CB ILE A1016 31.942 34.234 65.305 1.00 73.88 C ATOM 534 CG1 ILE A1016 30.505 33.645 65.532 1.00 75.34 C ATOM 535 CG2 ILE A1016 31.956 35.767 65.438 1.00 73.08 C ATOM 536 CD1 ILE A1016 29.947 33.765 66.943 1.00 85.00 C ATOM 537 H ILE A1016 32.623 31.810 64.788 1.00 0.00 H ATOM 538 N GLN A1017 34.964 34.025 64.078 1.00 67.48 N ATOM 539 CA GLN A1017 36.273 34.637 63.826 1.00 64.79 C ATOM 540 C GLN A1017 36.695 34.476 62.373 1.00 62.66 C ATOM 541 O GLN A1017 37.271 35.401 61.800 1.00 60.61 O ATOM 542 CB GLN A1017 37.363 34.051 64.768 1.00 65.45 C ATOM 543 CG GLN A1017 38.756 34.764 64.715 1.00 47.06 C ATOM 544 CD GLN A1017 38.670 36.259 64.920 1.00 72.46 C ATOM 545 OE1 GLN A1017 37.998 36.743 65.819 1.00 81.90 O ATOM 546 NE2 GLN A1017 39.311 37.033 64.076 1.00 64.21 N ATOM 547 HE22 GLN A1017 39.880 36.612 63.314 1.00 0.00 H ATOM 548 HE21 GLN A1017 39.250 38.067 64.169 1.00 0.00 H ATOM 549 H GLN A1017 34.920 33.170 64.669 1.00 0.00 H ATOM 550 N CYS A1018 36.436 33.295 61.802 1.00 55.89 N ATOM 551 CA CYS A1018 36.747 32.977 60.423 1.00 55.59 C ATOM 552 C CYS A1018 36.019 33.924 59.496 1.00 62.00 C ATOM 553 O CYS A1018 36.652 34.491 58.600 1.00 60.89 O ATOM 554 CB CYS A1018 36.395 31.528 60.131 1.00 56.51 C ATOM 555 SG CYS A1018 36.924 30.951 58.509 1.00 61.42 S ATOM 556 H CYS A1018 35.984 32.560 62.383 1.00 0.00 H ATOM 557 N ALA A1019 34.693 34.160 59.752 1.00 61.20 N ATOM 558 CA ALA A1019 33.887 35.115 58.984 1.00 61.89 C ATOM 559 C ALA A1019 34.441 36.527 59.109 1.00 67.40 C ATOM 560 O ALA A1019 34.487 37.246 58.104 1.00 68.27 O ATOM 561 CB ALA A1019 32.443 35.077 59.425 1.00 62.74 C ATOM 562 H ALA A1019 34.237 33.637 60.527 1.00 0.00 H ATOM 563 N LYS A1020 34.882 36.919 60.331 1.00 64.05 N ATOM 564 CA LYS A1020 35.496 38.226 60.594 1.00 64.33 C ATOM 565 C LYS A1020 36.782 38.404 59.781 1.00 66.54 C ATOM 566 O LYS A1020 37.008 39.482 59.227 1.00 66.66 O ATOM 567 CB LYS A1020 35.799 38.400 62.088 1.00 67.94 C ATOM 568 CG LYS A1020 34.614 38.859 62.914 1.00 99.60 C ATOM 569 CD LYS A1020 34.989 38.909 64.414 1.00116.89 C ATOM 570 CE LYS A1020 33.794 39.057 65.328 1.00125.48 C ATOM 571 NZ LYS A1020 34.138 38.761 66.742 1.00129.46 N ATOM 572 HZ1 LYS A1020 34.486 37.784 66.816 1.00 0.00 H ATOM 573 HZ2 LYS A1020 34.877 39.418 67.063 1.00 0.00 H ATOM 574 HZ3 LYS A1020 33.291 38.874 67.335 1.00 0.00 H ATOM 575 H LYS A1020 34.779 36.256 61.126 1.00 0.00 H ATOM 576 N ASP A1021 37.630 37.351 59.723 1.00 60.50 N ATOM 577 CA ASP A1021 38.874 37.359 58.951 1.00 59.00 C ATOM 578 C ASP A1021 38.556 37.503 57.473 1.00 65.92 C ATOM 579 O ASP A1021 39.171 38.343 56.811 1.00 66.47 O ATOM 580 CB ASP A1021 39.657 36.064 59.163 1.00 58.95 C ATOM 581 CG ASP A1021 40.087 35.827 60.591 1.00 60.17 C ATOM 582 OD1 ASP A1021 40.174 36.804 61.346 1.00 58.64 O ATOM 583 OD2 ASP A1021 40.332 34.647 60.955 1.00 65.01 O ATOM 584 H ASP A1021 37.385 36.491 60.255 1.00 0.00 H ATOM 585 N ILE A1022 37.591 36.732 56.979 1.00 61.16 N ATOM 586 CA ILE A1022 37.199 36.794 55.575 1.00 59.41 C ATOM 587 C ILE A1022 36.657 38.173 55.202 1.00 64.02 C ATOM 588 O ILE A1022 36.977 38.700 54.136 1.00 65.68 O ATOM 589 CB ILE A1022 36.140 35.729 55.236 1.00 61.31 C ATOM 590 CG1 ILE A1022 36.734 34.325 55.369 1.00 61.49 C ATOM 591 CG2 ILE A1022 35.590 35.950 53.836 1.00 60.83 C ATOM 592 CD1 ILE A1022 35.704 33.218 55.313 1.00 62.94 C ATOM 593 H ILE A1022 37.102 36.066 57.611 1.00 0.00 H ATOM 594 N ALA A1023 35.844 38.761 56.076 1.00 59.98 N ATOM 595 CA ALA A1023 35.299 40.095 55.809 1.00 60.88 C ATOM 596 C ALA A1023 36.370 41.175 55.771 1.00 67.43 C ATOM 597 O ALA A1023 36.324 42.060 54.913 1.00 67.69 O ATOM 598 CB ALA A1023 34.189 40.441 56.790 1.00 61.29 C ATOM 599 H ALA A1023 35.593 38.269 56.957 1.00 0.00 H ATOM 600 N LYS A1024 37.378 41.057 56.654 1.00 66.15 N ATOM 601 CA LYS A1024 38.534 41.968 56.698 1.00 65.05 C ATOM 602 C LYS A1024 39.322 41.862 55.398 1.00 66.50 C ATOM 603 O LYS A1024 39.658 42.896 54.818 1.00 65.52 O ATOM 604 CB LYS A1024 39.438 41.675 57.899 1.00 66.48 C ATOM 605 CG LYS A1024 40.606 42.658 58.004 1.00 78.83 C ATOM 606 CD LYS A1024 41.508 42.436 59.214 1.00 94.41 C ATOM 607 CE LYS A1024 42.681 43.398 59.304 1.00118.77 C ATOM 608 NZ LYS A1024 43.521 43.126 60.507 1.00131.80 N ATOM 609 HZ1 LYS A1024 42.941 43.232 61.364 1.00 0.00 H ATOM 610 HZ2 LYS A1024 43.893 42.156 60.456 1.00 0.00 H ATOM 611 HZ3 LYS A1024 44.312 43.801 60.536 1.00 0.00 H ATOM 612 H LYS A1024 37.339 40.279 57.344 1.00 0.00 H ATOM 613 N ALA A1025 39.601 40.616 54.930 1.00 61.53 N ATOM 614 CA ALA A1025 40.305 40.386 53.667 1.00 60.25 C ATOM 615 C ALA A1025 39.531 40.948 52.492 1.00 65.90 C ATOM 616 O ALA A1025 40.141 41.501 51.591 1.00 65.50 O ATOM 617 CB ALA A1025 40.575 38.914 53.457 1.00 60.38 C ATOM 618 H ALA A1025 39.302 39.793 55.492 1.00 0.00 H ATOM 619 N SER A1026 38.182 40.864 52.517 1.00 63.62 N ATOM 620 CA SER A1026 37.336 41.381 51.441 1.00 62.34 C ATOM 621 C SER A1026 37.384 42.898 51.358 1.00 66.28 C ATOM 622 O SER A1026 37.262 43.435 50.254 1.00 65.09 O ATOM 623 CB SER A1026 35.886 40.974 51.639 1.00 63.93 C ATOM 624 OG SER A1026 35.232 41.481 52.784 1.00 75.86 O ATOM 625 HG SER A1026 35.709 41.178 53.597 1.00 0.00 H ATOM 626 H SER A1026 37.726 40.413 53.336 1.00 0.00 H ATOM 627 N ASP A1027 37.516 43.599 52.515 1.00 63.49 N ATOM 628 CA ASP A1027 37.617 45.064 52.538 1.00 63.91 C ATOM 629 C ASP A1027 38.892 45.492 51.860 1.00 68.37 C ATOM 630 O ASP A1027 38.889 46.509 51.177 1.00 67.92 O ATOM 631 CB ASP A1027 37.615 45.610 53.956 1.00 66.87 C ATOM 632 CG ASP A1027 36.306 45.464 54.701 1.00 89.35 C ATOM 633 OD1 ASP A1027 35.230 45.421 54.031 1.00 94.29 O ATOM 634 OD2 ASP A1027 36.343 45.423 55.952 1.00 94.16 O ATOM 635 H ASP A1027 37.547 43.080 53.416 1.00 0.00 H ATOM 636 N GLU A1028 39.989 44.711 52.031 1.00 65.15 N ATOM 637 CA GLU A1028 41.251 44.996 51.368 1.00 64.38 C ATOM 638 C GLU A1028 41.063 44.851 49.859 1.00 66.46 C ATOM 639 O GLU A1028 41.461 45.758 49.130 1.00 65.15 O ATOM 640 CB GLU A1028 42.381 44.114 51.917 1.00 66.28 C ATOM 641 CG GLU A1028 43.761 44.364 51.307 1.00 84.50 C ATOM 642 CD GLU A1028 44.906 43.601 51.952 1.00118.49 C ATOM 643 OE1 GLU A1028 44.637 42.885 52.946 1.00108.53 O ATOM 644 OE2 GLU A1028 46.068 43.743 51.495 1.00120.07 O ATOM 645 H GLU A1028 39.925 43.882 52.656 1.00 0.00 H ATOM 646 N VAL A1029 40.424 43.744 49.391 1.00 63.17 N ATOM 647 CA VAL A1029 40.124 43.517 47.968 1.00 63.01 C ATOM 648 C VAL A1029 39.316 44.693 47.416 1.00 69.57 C ATOM 649 O VAL A1029 39.733 45.308 46.438 1.00 70.51 O ATOM 650 CB VAL A1029 39.417 42.178 47.699 1.00 66.07 C ATOM 651 CG1 VAL A1029 38.917 42.115 46.256 1.00 65.66 C ATOM 652 CG2 VAL A1029 40.321 40.985 48.017 1.00 65.47 C ATOM 653 H VAL A1029 40.132 43.019 50.077 1.00 0.00 H ATOM 654 N THR A1030 38.194 45.023 48.061 1.00 67.13 N ATOM 655 CA THR A1030 37.325 46.134 47.655 1.00 67.85 C ATOM 656 C THR A1030 38.068 47.475 47.577 1.00 71.14 C ATOM 657 O THR A1030 37.976 48.159 46.559 1.00 71.68 O ATOM 658 CB THR A1030 36.152 46.268 48.612 1.00 79.27 C ATOM 659 OG1 THR A1030 35.382 45.076 48.562 1.00 80.45 O ATOM 660 CG2 THR A1030 35.259 47.435 48.263 1.00 77.34 C ATOM 661 HG1 THR A1030 35.947 44.308 48.829 1.00 0.00 H ATOM 662 H THR A1030 37.922 44.464 48.894 1.00 0.00 H ATOM 663 N ARG A1031 38.765 47.853 48.649 1.00 66.67 N ATOM 664 CA ARG A1031 39.527 49.100 48.721 1.00 67.57 C ATOM 665 C ARG A1031 40.526 49.239 47.572 1.00 73.20 C ATOM 666 O ARG A1031 40.571 50.293 46.953 1.00 74.44 O ATOM 667 CB ARG A1031 40.259 49.226 50.078 1.00 69.14 C ATOM 668 CG ARG A1031 40.943 50.576 50.310 1.00 85.49 C ATOM 669 CD ARG A1031 41.753 50.630 51.595 1.00100.72 C ATOM 670 NE ARG A1031 43.057 49.973 51.458 1.00113.02 N ATOM 671 CZ ARG A1031 43.379 48.822 52.044 1.00131.48 C ATOM 672 NH1 ARG A1031 42.496 48.187 52.813 1.00118.90 N ATOM 673 NH2 ARG A1031 44.584 48.296 51.867 1.00118.35 N ATOM 674 HE ARG A1031 43.776 50.436 50.865 1.00 0.00 H ATOM 675 HH12 ARG A1031 42.754 47.288 53.268 1.00 0.00 H ATOM 676 HH11 ARG A1031 41.548 48.590 52.959 1.00 0.00 H ATOM 677 HH22 ARG A1031 44.831 47.397 52.327 1.00 0.00 H ATOM 678 HH21 ARG A1031 45.281 48.783 51.269 1.00 0.00 H ATOM 679 H ARG A1031 38.767 47.227 49.480 1.00 0.00 H ATOM 680 N LEU A1032 41.308 48.189 47.283 1.00 69.56 N ATOM 681 CA LEU A1032 42.306 48.209 46.226 1.00 69.63 C ATOM 682 C LEU A1032 41.717 48.180 44.847 1.00 74.81 C ATOM 683 O LEU A1032 42.252 48.840 43.962 1.00 74.71 O ATOM 684 CB LEU A1032 43.282 47.057 46.360 1.00 69.79 C ATOM 685 CG LEU A1032 44.175 47.044 47.565 1.00 74.24 C ATOM 686 CD1 LEU A1032 44.780 45.690 47.704 1.00 74.58 C ATOM 687 CD2 LEU A1032 45.272 48.080 47.463 1.00 75.30 C ATOM 688 H LEU A1032 41.195 47.319 47.841 1.00 0.00 H ATOM 689 N ALA A1033 40.651 47.389 44.633 1.00 73.01 N ATOM 690 CA ALA A1033 40.011 47.289 43.322 1.00 73.01 C ATOM 691 C ALA A1033 39.376 48.616 42.931 1.00 79.63 C ATOM 692 O ALA A1033 39.357 48.958 41.750 1.00 79.33 O ATOM 693 CB ALA A1033 38.979 46.192 43.321 1.00 73.17 C ATOM 694 H ALA A1033 40.270 46.831 45.424 1.00 0.00 H ATOM 695 N LYS A1034 38.905 49.383 43.934 1.00 77.79 N ATOM 696 CA LYS A1034 38.337 50.708 43.715 1.00 78.44 C ATOM 697 C LYS A1034 39.433 51.654 43.235 1.00 85.70 C ATOM 698 O LYS A1034 39.194 52.437 42.312 1.00 86.93 O ATOM 699 CB LYS A1034 37.591 51.233 44.959 1.00 79.78 C ATOM 700 CG LYS A1034 36.090 50.922 44.881 1.00 88.13 C ATOM 701 CD LYS A1034 35.405 50.672 46.217 1.00 94.34 C ATOM 702 CE LYS A1034 34.801 51.894 46.847 1.00 99.92 C ATOM 703 NZ LYS A1034 34.251 51.583 48.193 1.00105.21 N ATOM 704 HZ1 LYS A1034 33.515 50.854 48.105 1.00 0.00 H ATOM 705 HZ2 LYS A1034 35.015 51.234 48.806 1.00 0.00 H ATOM 706 HZ3 LYS A1034 33.840 52.445 48.606 1.00 0.00 H ATOM 707 H LYS A1034 38.948 49.014 44.905 1.00 0.00 H ATOM 708 N GLU A1035 40.646 51.584 43.766 1.00 82.44 N ATOM 709 CA GLU A1035 41.691 52.484 43.263 1.00 82.73 C ATOM 710 C GLU A1035 41.990 52.235 41.771 1.00 86.43 C ATOM 711 O GLU A1035 42.164 53.178 40.970 1.00 87.21 O ATOM 712 CB GLU A1035 42.971 52.329 44.087 1.00 84.39 C ATOM 713 CG GLU A1035 42.833 52.758 45.539 1.00 98.79 C ATOM 714 CD GLU A1035 42.394 54.202 45.682 1.00120.13 C ATOM 715 OE1 GLU A1035 42.878 55.051 44.904 1.00108.31 O ATOM 716 OE2 GLU A1035 41.569 54.489 46.575 1.00114.25 O ATOM 717 H GLU A1035 40.853 50.904 44.525 1.00 0.00 H ATOM 718 N VAL A1036 42.031 50.958 41.403 1.00 82.46 N ATOM 719 CA VAL A1036 42.318 50.550 40.031 1.00 82.79 C ATOM 720 C VAL A1036 41.268 51.072 39.058 1.00 90.07 C ATOM 721 O VAL A1036 41.596 51.503 37.953 1.00 89.82 O ATOM 722 CB VAL A1036 42.401 49.017 39.904 1.00 85.45 C ATOM 723 CG1 VAL A1036 42.577 48.614 38.448 1.00 84.51 C ATOM 724 CG2 VAL A1036 43.539 48.476 40.756 1.00 85.22 C ATOM 725 H VAL A1036 41.852 50.224 42.118 1.00 0.00 H ATOM 726 N ALA A1037 40.007 51.035 39.472 1.00 89.18 N ATOM 727 CA ALA A1037 38.924 51.523 38.631 1.00 90.20 C ATOM 728 C ALA A1037 39.148 53.009 38.392 1.00 97.61 C ATOM 729 O ALA A1037 38.931 53.517 37.292 1.00 98.11 O ATOM 730 CB ALA A1037 37.580 51.284 39.299 1.00 90.71 C ATOM 731 H ALA A1037 39.789 50.651 40.414 1.00 0.00 H ATOM 732 N LYS A1038 39.589 53.696 39.440 1.00 94.93 N ATOM 733 CA LYS A1038 39.861 55.127 39.379 1.00 95.08 C ATOM 734 C LYS A1038 40.981 55.461 38.396 1.00 97.89 C ATOM 735 O LYS A1038 40.909 56.462 37.684 1.00 98.23 O ATOM 736 CB LYS A1038 40.195 55.670 40.770 1.00 99.05 C ATOM 737 CG LYS A1038 39.027 55.636 41.742 1.00131.96 C ATOM 738 CD LYS A1038 39.425 56.164 43.111 1.00147.89 C ATOM 739 CE LYS A1038 38.249 56.152 44.074 1.00157.87 C ATOM 740 NZ LYS A1038 38.629 56.645 45.427 1.00163.84 N ATOM 741 HZ1 LYS A1038 39.376 56.037 45.819 1.00 0.00 H ATOM 742 HZ2 LYS A1038 38.978 57.622 45.353 1.00 0.00 H ATOM 743 HZ3 LYS A1038 37.797 56.619 46.050 1.00 0.00 H ATOM 744 H LYS A1038 39.746 53.194 40.337 1.00 0.00 H ATOM 745 N GLN A1039 42.017 54.626 38.358 1.00 93.13 N ATOM 746 CA GLN A1039 43.149 54.872 37.451 1.00 92.72 C ATOM 747 C GLN A1039 42.983 54.309 36.026 1.00 98.80 C ATOM 748 O GLN A1039 43.870 54.455 35.185 1.00 97.82 O ATOM 749 CB GLN A1039 44.447 54.345 38.068 1.00 93.56 C ATOM 750 CG GLN A1039 44.896 55.100 39.309 1.00105.47 C ATOM 751 CD GLN A1039 46.143 54.507 39.933 1.00131.37 C ATOM 752 OE1 GLN A1039 46.431 53.322 39.766 1.00123.42 O ATOM 753 NE2 GLN A1039 46.891 55.330 40.659 1.00128.57 N ATOM 754 HE22 GLN A1039 46.609 56.325 40.773 1.00 0.00 H ATOM 755 HE21 GLN A1039 47.759 54.980 41.113 1.00 0.00 H ATOM 756 H GLN A1039 42.026 53.790 38.977 1.00 0.00 H ATOM 757 N CYS A1040 41.851 53.660 35.776 1.00 97.99 N ATOM 758 CA CYS A1040 41.534 53.015 34.515 1.00 99.64 C ATOM 759 C CYS A1040 40.879 53.982 33.517 1.00108.22 C ATOM 760 O CYS A1040 39.895 54.656 33.845 1.00108.06 O ATOM 761 CB CYS A1040 40.686 51.771 34.761 1.00 99.74 C ATOM 762 SG CYS A1040 40.282 50.837 33.267 1.00103.59 S ATOM 763 H CYS A1040 41.143 53.611 36.536 1.00 0.00 H ATOM 764 N THR A1041 41.434 54.037 32.295 1.00107.57 N ATOM 765 CA THR A1041 40.960 54.938 31.243 1.00108.42 C ATOM 766 C THR A1041 39.702 54.393 30.546 1.00115.26 C ATOM 767 O THR A1041 38.804 55.177 30.218 1.00115.10 O ATOM 768 CB THR A1041 42.086 55.317 30.264 1.00111.19 C ATOM 769 OG1 THR A1041 42.354 54.237 29.379 1.00111.11 O ATOM 770 CG2 THR A1041 43.359 55.756 30.967 1.00105.90 C ATOM 771 HG1 THR A1041 42.633 53.444 29.902 1.00 0.00 H ATOM 772 H THR A1041 42.238 53.411 32.087 1.00 0.00 H ATOM 773 N ASP A1042 39.632 53.060 30.352 1.00113.23 N ATOM 774 CA ASP A1042 38.484 52.411 29.735 1.00113.78 C ATOM 775 C ASP A1042 37.260 52.418 30.664 1.00118.85 C ATOM 776 O ASP A1042 37.228 51.691 31.659 1.00117.94 O ATOM 777 CB ASP A1042 38.827 50.989 29.269 1.00115.75 C ATOM 778 CG ASP A1042 37.745 50.366 28.407 1.00130.95 C ATOM 779 OD1 ASP A1042 36.659 50.988 28.264 1.00133.20 O ATOM 780 OD2 ASP A1042 37.993 49.280 27.839 1.00136.50 O ATOM 781 H ASP A1042 40.433 52.470 30.656 1.00 0.00 H ATOM 782 N LYS A1043 36.247 53.225 30.302 1.00116.76 N ATOM 783 CA LYS A1043 34.996 53.399 31.049 1.00117.40 C ATOM 784 C LYS A1043 34.250 52.084 31.189 1.00121.74 C ATOM 785 O LYS A1043 33.726 51.789 32.262 1.00121.19 O ATOM 786 CB LYS A1043 34.092 54.434 30.362 1.00120.92 C ATOM 787 CG LYS A1043 34.774 55.756 30.035 1.00139.64 C ATOM 788 CD LYS A1043 33.839 56.662 29.267 1.00152.07 C ATOM 789 CE LYS A1043 34.570 57.821 28.643 1.00162.22 C ATOM 790 NZ LYS A1043 33.682 58.624 27.754 1.00169.03 N ATOM 791 HZ1 LYS A1043 33.318 58.018 26.991 1.00 0.00 H ATOM 792 HZ2 LYS A1043 32.887 59.000 28.309 1.00 0.00 H ATOM 793 HZ3 LYS A1043 34.224 59.412 27.345 1.00 0.00 H ATOM 794 H LYS A1043 36.359 53.769 29.423 1.00 0.00 H ATOM 795 N ARG A1044 34.219 51.294 30.103 1.00119.19 N ATOM 796 CA ARG A1044 33.588 49.977 30.045 1.00119.74 C ATOM 797 C ARG A1044 34.131 49.068 31.170 1.00124.05 C ATOM 798 O ARG A1044 33.342 48.479 31.918 1.00124.44 O ATOM 799 CB ARG A1044 33.831 49.346 28.663 1.00121.52 C ATOM 800 CG ARG A1044 33.102 48.005 28.456 1.00136.36 C ATOM 801 CD ARG A1044 33.358 47.326 27.114 1.00150.60 C ATOM 802 NE ARG A1044 32.843 48.093 25.971 1.00159.81 N ATOM 803 CZ ARG A1044 31.586 48.053 25.531 1.00171.61 C ATOM 804 NH1 ARG A1044 30.683 47.293 26.141 1.00159.39 N ATOM 805 NH2 ARG A1044 31.221 48.781 24.485 1.00155.71 N ATOM 806 HE ARG A1044 33.509 48.713 25.468 1.00 0.00 H ATOM 807 HH12 ARG A1044 29.704 47.267 25.792 1.00 0.00 H ATOM 808 HH11 ARG A1044 30.955 46.724 26.968 1.00 0.00 H ATOM 809 HH22 ARG A1044 30.239 48.747 24.145 1.00 0.00 H ATOM 810 HH21 ARG A1044 31.917 49.386 24.004 1.00 0.00 H ATOM 811 H ARG A1044 34.678 51.646 29.239 1.00 0.00 H ATOM 812 N ILE A1045 35.475 48.983 31.302 1.00119.48 N ATOM 813 CA ILE A1045 36.132 48.181 32.340 1.00118.34 C ATOM 814 C ILE A1045 36.000 48.842 33.710 1.00119.23 C ATOM 815 O ILE A1045 35.733 48.150 34.693 1.00118.31 O ATOM 816 CB ILE A1045 37.606 47.850 32.015 1.00121.52 C ATOM 817 CG1 ILE A1045 37.788 47.441 30.533 1.00121.80 C ATOM 818 CG2 ILE A1045 38.127 46.761 32.990 1.00122.34 C ATOM 819 CD1 ILE A1045 39.178 47.075 30.151 1.00128.81 C ATOM 820 H ILE A1045 36.072 49.512 30.635 1.00 0.00 H ATOM 821 N ARG A1046 36.204 50.167 33.776 1.00114.62 N ATOM 822 CA ARG A1046 36.128 50.941 35.013 1.00114.24 C ATOM 823 C ARG A1046 34.766 50.763 35.691 1.00118.91 C ATOM 824 O ARG A1046 34.705 50.558 36.905 1.00118.39 O ATOM 825 CB ARG A1046 36.419 52.431 34.734 1.00114.31 C ATOM 826 CG ARG A1046 36.354 53.324 35.970 1.00124.27 C ATOM 827 CD ARG A1046 36.494 54.805 35.700 1.00130.55 C ATOM 828 NE ARG A1046 35.337 55.415 35.056 1.00140.60 N ATOM 829 CZ ARG A1046 35.344 55.897 33.820 1.00152.74 C ATOM 830 NH1 ARG A1046 36.446 55.835 33.081 1.00136.23 N ATOM 831 NH2 ARG A1046 34.250 56.446 33.312 1.00141.36 N ATOM 832 HE ARG A1046 34.452 55.476 35.599 1.00 0.00 H ATOM 833 HH12 ARG A1046 36.445 56.215 32.113 1.00 0.00 H ATOM 834 HH11 ARG A1046 37.310 55.407 33.471 1.00 0.00 H ATOM 835 HH22 ARG A1046 34.259 56.823 32.343 1.00 0.00 H ATOM 836 HH21 ARG A1046 33.382 56.500 33.883 1.00 0.00 H ATOM 837 H ARG A1046 36.429 50.672 32.895 1.00 0.00 H ATOM 838 N THR A1047 33.679 50.844 34.898 1.00116.12 N ATOM 839 CA THR A1047 32.301 50.695 35.371 1.00115.58 C ATOM 840 C THR A1047 32.053 49.267 35.838 1.00118.07 C ATOM 841 O THR A1047 31.461 49.072 36.903 1.00117.97 O ATOM 842 CB THR A1047 31.298 51.080 34.274 1.00122.33 C ATOM 843 OG1 THR A1047 31.606 52.392 33.801 1.00121.54 O ATOM 844 CG2 THR A1047 29.849 51.021 34.756 1.00121.19 C ATOM 845 HG1 THR A1047 32.525 52.401 33.432 1.00 0.00 H ATOM 846 H THR A1047 33.829 51.024 33.885 1.00 0.00 H ATOM 847 N ASN A1048 32.488 48.275 35.039 1.00112.77 N ATOM 848 CA ASN A1048 32.299 46.871 35.383 1.00112.21 C ATOM 849 C ASN A1048 32.997 46.483 36.667 1.00114.90 C ATOM 850 O ASN A1048 32.438 45.738 37.486 1.00115.28 O ATOM 851 CB ASN A1048 32.731 45.972 34.242 1.00115.32 C ATOM 852 CG ASN A1048 31.591 45.577 33.334 1.00156.75 C ATOM 853 OD1 ASN A1048 30.549 46.253 33.253 1.00153.52 O ATOM 854 ND2 ASN A1048 31.768 44.468 32.629 1.00153.77 N ATOM 855 HD22 ASN A1048 32.652 43.928 32.722 1.00 0.00 H ATOM 856 HD21 ASN A1048 31.023 44.138 31.983 1.00 0.00 H ATOM 857 H ASN A1048 32.973 48.517 34.151 1.00 0.00 H ATOM 858 N LEU A1049 34.225 46.949 36.862 1.00109.42 N ATOM 859 CA LEU A1049 34.968 46.633 38.082 1.00108.76 C ATOM 860 C LEU A1049 34.342 47.223 39.355 1.00113.71 C ATOM 861 O LEU A1049 34.295 46.578 40.413 1.00113.95 O ATOM 862 CB LEU A1049 36.422 47.093 37.954 1.00108.57 C ATOM 863 CG LEU A1049 37.308 46.893 39.186 1.00112.44 C ATOM 864 CD1 LEU A1049 37.446 45.415 39.514 1.00112.50 C ATOM 865 CD2 LEU A1049 38.673 47.530 38.976 1.00113.10 C ATOM 866 H LEU A1049 34.666 47.549 36.135 1.00 0.00 H ATOM 867 N LEU A1050 33.866 48.459 39.240 1.00110.43 N ATOM 868 CA LEU A1050 33.285 49.170 40.375 1.00110.45 C ATOM 869 C LEU A1050 32.036 48.541 40.989 1.00113.41 C ATOM 870 O LEU A1050 31.919 48.481 42.210 1.00112.16 O ATOM 871 CB LEU A1050 32.992 50.624 39.990 1.00110.84 C ATOM 872 CG LEU A1050 34.206 51.497 39.664 1.00115.97 C ATOM 873 CD1 LEU A1050 33.766 52.862 39.160 1.00116.75 C ATOM 874 CD2 LEU A1050 35.111 51.635 40.879 1.00118.57 C ATOM 875 H LEU A1050 33.909 48.933 38.315 1.00 0.00 H ATOM 876 N GLN A1051 31.108 48.066 40.167 1.00110.54 N ATOM 877 CA GLN A1051 29.898 47.472 40.723 1.00110.56 C ATOM 878 C GLN A1051 30.244 46.240 41.549 1.00112.10 C ATOM 879 O GLN A1051 29.732 46.050 42.661 1.00111.92 O ATOM 880 CB GLN A1051 28.921 47.100 39.606 1.00112.17 C ATOM 881 CG GLN A1051 28.342 48.294 38.865 1.00128.57 C ATOM 882 CD GLN A1051 27.436 47.886 37.720 1.00144.96 C ATOM 883 OE1 GLN A1051 27.564 46.792 37.171 1.00141.49 O ATOM 884 NE2 GLN A1051 26.512 48.767 37.354 1.00132.02 N ATOM 885 HE22 GLN A1051 26.440 49.680 37.847 1.00 0.00 H ATOM 886 HE21 GLN A1051 25.860 48.544 36.575 1.00 0.00 H ATOM 887 H GLN A1051 31.243 48.117 39.137 1.00 0.00 H ATOM 888 N VAL A1052 31.134 45.413 41.011 1.00106.04 N ATOM 889 CA VAL A1052 31.549 44.209 41.710 1.00104.51 C ATOM 890 C VAL A1052 32.262 44.581 43.002 1.00107.33 C ATOM 891 O VAL A1052 32.030 43.967 44.045 1.00106.88 O ATOM 892 CB VAL A1052 32.460 43.317 40.844 1.00107.28 C ATOM 893 CG1 VAL A1052 31.707 42.803 39.629 1.00106.97 C ATOM 894 CG2 VAL A1052 33.698 44.088 40.413 1.00106.83 C ATOM 895 H VAL A1052 31.539 45.630 40.078 1.00 0.00 H ATOM 896 N CYS A1053 33.112 45.604 42.943 1.00103.35 N ATOM 897 CA CYS A1053 33.835 46.004 44.145 1.00102.58 C ATOM 898 C CYS A1053 32.843 46.444 45.215 1.00107.92 C ATOM 899 O CYS A1053 33.001 46.129 46.395 1.00108.69 O ATOM 900 CB CYS A1053 34.835 47.123 43.844 1.00102.17 C ATOM 901 SG CYS A1053 36.186 46.661 42.735 1.00105.66 S ATOM 902 H CYS A1053 33.259 46.113 42.048 1.00 0.00 H ATOM 903 N GLU A1054 31.820 47.175 44.790 1.00104.10 N ATOM 904 CA GLU A1054 30.783 47.665 45.688 1.00103.38 C ATOM 905 C GLU A1054 29.972 46.542 46.331 1.00102.19 C ATOM 906 O GLU A1054 29.631 46.613 47.511 1.00101.46 O ATOM 907 CB GLU A1054 29.848 48.626 44.948 1.00105.47 C ATOM 908 CG GLU A1054 30.507 49.928 44.523 1.00122.57 C ATOM 909 CD GLU A1054 29.572 50.822 43.732 1.00153.07 C ATOM 910 OE1 GLU A1054 28.479 50.353 43.352 1.00142.81 O ATOM 911 OE2 GLU A1054 29.931 51.994 43.490 1.00155.30 O ATOM 912 H GLU A1054 31.756 47.407 43.778 1.00 0.00 H ATOM 913 N ARG A1055 29.658 45.510 45.552 1.00 94.64 N ATOM 914 CA ARG A1055 28.859 44.393 46.063 1.00 92.66 C ATOM 915 C ARG A1055 29.510 43.604 47.204 1.00 90.74 C ATOM 916 O ARG A1055 28.843 43.203 48.158 1.00 89.76 O ATOM 917 CB ARG A1055 28.483 43.442 44.923 1.00 95.65 C ATOM 918 CG ARG A1055 27.492 44.026 43.929 1.00114.79 C ATOM 919 CD ARG A1055 26.921 42.949 43.020 1.00130.89 C ATOM 920 NE ARG A1055 27.952 42.325 42.196 1.00144.78 N ATOM 921 CZ ARG A1055 28.361 42.801 41.024 1.00157.80 C ATOM 922 NH1 ARG A1055 27.827 43.911 40.534 1.00147.30 N ATOM 923 NH2 ARG A1055 29.305 42.166 40.342 1.00138.11 N ATOM 924 HE ARG A1055 28.395 41.452 42.548 1.00 0.00 H ATOM 925 HH12 ARG A1055 28.148 44.282 39.617 1.00 0.00 H ATOM 926 HH11 ARG A1055 27.087 44.411 41.067 1.00 0.00 H ATOM 927 HH22 ARG A1055 29.624 42.539 39.425 1.00 0.00 H ATOM 928 HH21 ARG A1055 29.726 41.295 40.724 1.00 0.00 H ATOM 929 H ARG A1055 29.985 45.496 44.565 1.00 0.00 H ATOM 930 N ILE A1056 30.813 43.384 47.087 1.00 83.05 N ATOM 931 CA ILE A1056 31.597 42.625 48.055 1.00 80.94 C ATOM 932 C ILE A1056 31.355 43.001 49.530 1.00 85.47 C ATOM 933 O ILE A1056 31.179 42.081 50.346 1.00 85.01 O ATOM 934 CB ILE A1056 33.103 42.631 47.695 1.00 82.82 C ATOM 935 CG1 ILE A1056 33.338 41.883 46.364 1.00 82.41 C ATOM 936 CG2 ILE A1056 33.938 42.019 48.814 1.00 81.69 C ATOM 937 CD1 ILE A1056 34.666 42.112 45.707 1.00 84.52 C ATOM 938 H ILE A1056 31.304 43.775 46.258 1.00 0.00 H ATOM 939 N PRO A1057 31.356 44.297 49.916 1.00 82.99 N ATOM 940 CA PRO A1057 31.140 44.631 51.343 1.00 82.29 C ATOM 941 C PRO A1057 29.802 44.129 51.878 1.00 83.34 C ATOM 942 O PRO A1057 29.735 43.684 53.027 1.00 84.32 O ATOM 943 CB PRO A1057 31.231 46.159 51.380 1.00 84.14 C ATOM 944 CG PRO A1057 31.936 46.541 50.112 1.00 89.15 C ATOM 945 CD PRO A1057 31.543 45.518 49.103 1.00 84.66 C ATOM 946 N THR A1058 28.756 44.162 51.028 1.00 75.74 N ATOM 947 CA THR A1058 27.400 43.705 51.342 1.00 73.26 C ATOM 948 C THR A1058 27.378 42.189 51.560 1.00 70.87 C ATOM 949 O THR A1058 26.769 41.696 52.524 1.00 67.72 O ATOM 950 CB THR A1058 26.459 44.185 50.229 1.00 78.18 C ATOM 951 OG1 THR A1058 26.263 45.588 50.395 1.00 73.15 O ATOM 952 CG2 THR A1058 25.125 43.455 50.215 1.00 77.23 C ATOM 953 HG1 THR A1058 25.657 45.922 49.686 1.00 0.00 H ATOM 954 H THR A1058 28.925 44.542 50.075 1.00 0.00 H ATOM 955 N ILE A1059 28.069 41.466 50.671 1.00 65.78 N ATOM 956 CA ILE A1059 28.147 40.009 50.727 1.00 65.25 C ATOM 957 C ILE A1059 28.903 39.581 51.975 1.00 72.88 C ATOM 958 O ILE A1059 28.447 38.690 52.681 1.00 72.13 O ATOM 959 CB ILE A1059 28.738 39.417 49.405 1.00 67.69 C ATOM 960 CG1 ILE A1059 27.878 39.800 48.180 1.00 67.54 C ATOM 961 CG2 ILE A1059 28.885 37.903 49.468 1.00 68.28 C ATOM 962 CD1 ILE A1059 28.567 39.627 46.784 1.00 72.13 C ATOM 963 H ILE A1059 28.572 41.963 49.908 1.00 0.00 H ATOM 964 N SER A1060 30.026 40.248 52.275 1.00 73.49 N ATOM 965 CA SER A1060 30.841 39.885 53.433 1.00 74.79 C ATOM 966 C SER A1060 30.213 40.331 54.759 1.00 78.85 C ATOM 967 O SER A1060 30.437 39.673 55.775 1.00 79.96 O ATOM 968 CB SER A1060 32.282 40.361 53.273 1.00 79.66 C ATOM 969 OG SER A1060 32.376 41.770 53.388 1.00 90.32 O ATOM 970 HG SER A1060 33.320 42.046 53.280 1.00 0.00 H ATOM 971 H SER A1060 30.324 41.041 51.671 1.00 0.00 H ATOM 972 N THR A1061 29.395 41.404 54.751 1.00 73.00 N ATOM 973 CA THR A1061 28.633 41.791 55.939 1.00 71.93 C ATOM 974 C THR A1061 27.591 40.679 56.205 1.00 76.52 C ATOM 975 O THR A1061 27.407 40.231 57.344 1.00 76.13 O ATOM 976 CB THR A1061 27.962 43.129 55.735 1.00 75.73 C ATOM 977 OG1 THR A1061 28.971 44.133 55.656 1.00 76.83 O ATOM 978 CG2 THR A1061 27.008 43.461 56.865 1.00 72.49 C ATOM 979 HG1 THR A1061 29.572 43.936 54.894 1.00 0.00 H ATOM 980 H THR A1061 29.304 41.968 53.882 1.00 0.00 H ATOM 981 N GLN A1062 26.941 40.212 55.128 1.00 72.67 N ATOM 982 CA GLN A1062 25.997 39.106 55.190 1.00 70.91 C ATOM 983 C GLN A1062 26.662 37.807 55.645 1.00 74.27 C ATOM 984 O GLN A1062 26.009 37.027 56.335 1.00 73.49 O ATOM 985 CB GLN A1062 25.354 38.914 53.834 1.00 71.57 C ATOM 986 CG GLN A1062 24.117 39.758 53.665 1.00 75.25 C ATOM 987 CD GLN A1062 23.501 39.611 52.305 1.00 84.88 C ATOM 988 OE1 GLN A1062 22.984 40.575 51.737 1.00 80.69 O ATOM 989 NE2 GLN A1062 23.550 38.413 51.738 1.00 74.97 N ATOM 990 HE22 GLN A1062 23.993 37.617 52.241 1.00 0.00 H ATOM 991 HE21 GLN A1062 23.146 38.269 50.791 1.00 0.00 H ATOM 992 H GLN A1062 27.120 40.661 54.207 1.00 0.00 H ATOM 993 N LEU A1063 27.966 37.582 55.297 1.00 70.68 N ATOM 994 CA LEU A1063 28.693 36.385 55.747 1.00 69.90 C ATOM 995 C LEU A1063 28.814 36.394 57.270 1.00 71.26 C ATOM 996 O LEU A1063 28.695 35.347 57.891 1.00 67.33 O ATOM 997 CB LEU A1063 30.083 36.284 55.076 1.00 70.38 C ATOM 998 CG LEU A1063 31.013 35.114 55.490 1.00 75.57 C ATOM 999 CD1 LEU A1063 30.652 33.814 54.803 1.00 74.93 C ATOM 1000 CD2 LEU A1063 32.461 35.456 55.220 1.00 79.90 C ATOM 1001 H LEU A1063 28.457 38.276 54.698 1.00 0.00 H ATOM 1002 N LYS A1064 29.042 37.580 57.862 1.00 69.65 N ATOM 1003 CA LYS A1064 29.206 37.737 59.304 1.00 70.34 C ATOM 1004 C LYS A1064 27.906 37.449 60.016 1.00 77.10 C ATOM 1005 O LYS A1064 27.896 36.720 61.009 1.00 77.74 O ATOM 1006 CB LYS A1064 29.751 39.129 59.659 1.00 72.70 C ATOM 1007 CG LYS A1064 31.193 39.371 59.181 1.00 86.12 C ATOM 1008 CD LYS A1064 31.840 40.614 59.806 1.00 91.06 C ATOM 1009 CE LYS A1064 31.355 41.906 59.176 1.00101.98 C ATOM 1010 NZ LYS A1064 32.021 43.089 59.773 1.00115.55 N ATOM 1011 HZ1 LYS A1064 31.816 43.123 60.792 1.00 0.00 H ATOM 1012 HZ2 LYS A1064 33.048 43.018 59.627 1.00 0.00 H ATOM 1013 HZ3 LYS A1064 31.664 43.953 59.317 1.00 0.00 H ATOM 1014 H LYS A1064 29.105 38.428 57.262 1.00 0.00 H ATOM 1015 N ILE A1065 26.799 37.982 59.484 1.00 74.72 N ATOM 1016 CA ILE A1065 25.461 37.736 60.035 1.00 73.73 C ATOM 1017 C ILE A1065 25.104 36.237 59.979 1.00 78.08 C ATOM 1018 O ILE A1065 24.757 35.644 60.997 1.00 78.41 O ATOM 1019 CB ILE A1065 24.409 38.607 59.322 1.00 75.75 C ATOM 1020 CG1 ILE A1065 24.592 40.088 59.706 1.00 75.43 C ATOM 1021 CG2 ILE A1065 23.018 38.123 59.676 1.00 75.27 C ATOM 1022 CD1 ILE A1065 24.129 41.123 58.705 1.00 80.94 C ATOM 1023 H ILE A1065 26.891 38.594 58.648 1.00 0.00 H ATOM 1024 N LEU A1066 25.225 35.627 58.809 1.00 73.93 N ATOM 1025 CA LEU A1066 24.847 34.235 58.625 1.00 74.16 C ATOM 1026 C LEU A1066 25.738 33.262 59.375 1.00 81.74 C ATOM 1027 O LEU A1066 25.259 32.202 59.771 1.00 81.73 O ATOM 1028 CB LEU A1066 24.748 33.881 57.122 1.00 74.25 C ATOM 1029 CG LEU A1066 23.739 34.686 56.293 1.00 79.02 C ATOM 1030 CD1 LEU A1066 23.876 34.372 54.810 1.00 78.94 C ATOM 1031 CD2 LEU A1066 22.309 34.532 56.827 1.00 81.87 C ATOM 1032 H LEU A1066 25.601 36.159 57.999 1.00 0.00 H ATOM 1033 N SER A1067 27.030 33.609 59.582 1.00 81.63 N ATOM 1034 CA SER A1067 27.964 32.756 60.337 1.00 81.81 C ATOM 1035 C SER A1067 27.612 32.793 61.803 1.00 85.99 C ATOM 1036 O SER A1067 27.682 31.759 62.463 1.00 84.73 O ATOM 1037 CB SER A1067 29.406 33.205 60.162 1.00 84.38 C ATOM 1038 OG SER A1067 29.775 33.022 58.810 1.00 92.54 O ATOM 1039 HG SER A1067 29.181 33.562 58.231 1.00 0.00 H ATOM 1040 H SER A1067 27.376 34.510 59.194 1.00 0.00 H ATOM 1041 N THR A1068 27.216 33.978 62.307 1.00 83.27 N ATOM 1042 CA THR A1068 26.821 34.147 63.707 1.00 83.51 C ATOM 1043 C THR A1068 25.520 33.392 63.959 1.00 88.37 C ATOM 1044 O THR A1068 25.426 32.651 64.937 1.00 88.62 O ATOM 1045 CB THR A1068 26.773 35.616 64.070 1.00 92.45 C ATOM 1046 OG1 THR A1068 28.040 36.206 63.747 1.00 96.75 O ATOM 1047 CG2 THR A1068 26.450 35.830 65.534 1.00 89.61 C ATOM 1048 HG1 THR A1068 28.214 36.102 62.778 1.00 0.00 H ATOM 1049 H THR A1068 27.190 34.805 61.677 1.00 0.00 H ATOM 1050 N VAL A1069 24.557 33.520 63.027 1.00 84.88 N ATOM 1051 CA VAL A1069 23.294 32.779 63.043 1.00 84.62 C ATOM 1052 C VAL A1069 23.580 31.279 63.114 1.00 89.79 C ATOM 1053 O VAL A1069 23.076 30.623 64.017 1.00 89.63 O ATOM 1054 CB VAL A1069 22.426 33.130 61.810 1.00 88.12 C ATOM 1055 CG1 VAL A1069 21.286 32.138 61.606 1.00 87.62 C ATOM 1056 CG2 VAL A1069 21.891 34.541 61.915 1.00 87.87 C ATOM 1057 H VAL A1069 24.720 34.187 62.246 1.00 0.00 H ATOM 1058 N LYS A1070 24.395 30.750 62.184 1.00 88.15 N ATOM 1059 CA LYS A1070 24.760 29.334 62.151 1.00 89.16 C ATOM 1060 C LYS A1070 25.482 28.894 63.433 1.00 98.61 C ATOM 1061 O LYS A1070 25.174 27.823 63.955 1.00 98.38 O ATOM 1062 CB LYS A1070 25.587 28.997 60.906 1.00 90.38 C ATOM 1063 CG LYS A1070 25.963 27.525 60.806 1.00 93.40 C ATOM 1064 CD LYS A1070 24.738 26.616 60.690 1.00102.74 C ATOM 1065 CE LYS A1070 25.066 25.183 61.017 1.00117.17 C ATOM 1066 NZ LYS A1070 23.903 24.276 60.793 1.00129.02 N ATOM 1067 HZ1 LYS A1070 23.111 24.574 61.398 1.00 0.00 H ATOM 1068 HZ2 LYS A1070 23.615 24.323 59.795 1.00 0.00 H ATOM 1069 HZ3 LYS A1070 24.175 23.301 61.031 1.00 0.00 H ATOM 1070 H LYS A1070 24.785 31.378 61.453 1.00 0.00 H ATOM 1071 N ALA A1071 26.394 29.746 63.963 1.00 98.77 N ATOM 1072 CA ALA A1071 27.141 29.482 65.202 1.00100.13 C ATOM 1073 C ALA A1071 26.240 29.418 66.435 1.00108.12 C ATOM 1074 O ALA A1071 26.395 28.503 67.236 1.00107.76 O ATOM 1075 CB ALA A1071 28.253 30.503 65.402 1.00100.77 C ATOM 1076 H ALA A1071 26.576 30.640 63.463 1.00 0.00 H ATOM 1077 N THR A1072 25.320 30.369 66.568 1.00107.94 N ATOM 1078 CA THR A1072 24.414 30.380 67.705 1.00109.36 C ATOM 1079 C THR A1072 23.578 29.111 67.653 1.00117.79 C ATOM 1080 O THR A1072 23.349 28.464 68.675 1.00118.34 O ATOM 1081 CB THR A1072 23.483 31.605 67.679 1.00116.55 C ATOM 1082 OG1 THR A1072 22.716 31.601 66.469 1.00117.09 O ATOM 1083 CG2 THR A1072 24.293 32.890 67.756 1.00115.14 C ATOM 1084 HG1 THR A1072 23.328 31.636 65.692 1.00 0.00 H ATOM 1085 H THR A1072 25.248 31.116 65.848 1.00 0.00 H ATOM 1086 N MET A1073 23.105 28.767 66.458 1.00116.37 N ATOM 1087 CA MET A1073 22.301 27.562 66.264 1.00117.21 C ATOM 1088 C MET A1073 23.154 26.327 65.966 1.00126.26 C ATOM 1089 O MET A1073 23.145 25.819 64.845 1.00125.34 O ATOM 1090 CB MET A1073 21.280 27.776 65.144 1.00119.10 C ATOM 1091 CG MET A1073 21.897 27.939 63.765 1.00122.13 C ATOM 1092 SD MET A1073 20.661 28.016 62.455 1.00125.62 S ATOM 1093 CE MET A1073 20.236 26.284 62.288 1.00122.12 C ATOM 1094 H MET A1073 23.313 29.373 65.639 1.00 0.00 H ATOM 1095 N LEU A1074 23.885 25.846 66.966 1.00127.69 N ATOM 1096 CA LEU A1074 24.732 24.666 66.804 1.00129.74 C ATOM 1097 C LEU A1074 24.783 23.873 68.105 1.00137.81 C ATOM 1098 O LEU A1074 24.560 24.435 69.177 1.00137.73 O ATOM 1099 CB LEU A1074 26.144 25.072 66.378 1.00129.96 C ATOM 1100 CG LEU A1074 26.273 25.731 65.003 1.00134.69 C ATOM 1101 CD1 LEU A1074 27.697 26.214 64.770 1.00134.79 C ATOM 1102 CD2 LEU A1074 25.842 24.772 63.904 1.00137.62 C ATOM 1103 H LEU A1074 23.854 26.323 67.890 1.00 0.00 H ATOM 1104 N GLY A1075 25.074 22.576 68.028 1.00136.87 N ATOM 1105 CA GLY A1075 25.138 21.796 69.247 1.00137.85 C ATOM 1106 C GLY A1075 23.749 21.627 69.824 1.00144.38 C ATOM 1107 O GLY A1075 23.321 20.525 70.170 1.00144.54 O ATOM 1108 H GLY A1075 25.253 22.129 67.106 1.00 0.00 H ATOM 1109 N ARG A1076 23.051 22.753 69.931 1.00141.81 N ATOM 1110 CA ARG A1076 21.708 22.799 70.493 1.00141.98 C ATOM 1111 C ARG A1076 20.694 21.974 69.709 1.00146.81 C ATOM 1112 O ARG A1076 20.710 21.925 68.479 1.00146.78 O ATOM 1113 CB ARG A1076 21.227 24.248 70.601 1.00142.14 C ATOM 1114 CG ARG A1076 21.995 25.084 71.612 1.00150.24 C ATOM 1115 CD ARG A1076 21.435 26.494 71.703 1.00158.15 C ATOM 1116 NE ARG A1076 22.206 27.331 72.618 1.00166.16 N ATOM 1117 CZ ARG A1076 22.000 28.632 72.793 1.00179.96 C ATOM 1118 NH1 ARG A1076 21.044 29.251 72.114 1.00169.10 N ATOM 1119 NH2 ARG A1076 22.750 29.315 73.647 1.00164.58 N ATOM 1120 HE ARG A1076 22.965 26.880 73.168 1.00 0.00 H ATOM 1121 HH12 ARG A1076 20.884 30.269 72.252 1.00 0.00 H ATOM 1122 HH11 ARG A1076 20.454 28.718 71.443 1.00 0.00 H ATOM 1123 HH22 ARG A1076 22.587 30.333 73.783 1.00 0.00 H ATOM 1124 HH21 ARG A1076 23.501 28.832 74.181 1.00 0.00 H ATOM 1125 H ARG A1076 23.482 23.639 69.599 1.00 0.00 H ATOM 1126 N THR A1077 19.814 21.328 70.463 1.00144.71 N ATOM 1127 CA THR A1077 18.756 20.467 69.936 1.00144.52 C ATOM 1128 C THR A1077 17.394 21.157 69.831 1.00148.27 C ATOM 1129 O THR A1077 16.423 20.558 69.367 1.00148.25 O ATOM 1130 CB THR A1077 18.624 19.206 70.810 1.00151.74 C ATOM 1131 OG1 THR A1077 18.295 19.584 72.152 1.00148.68 O ATOM 1132 CG2 THR A1077 19.972 18.517 70.961 1.00150.08 C ATOM 1133 HG1 THR A1077 18.211 18.771 72.711 1.00 0.00 H ATOM 1134 H THR A1077 19.881 21.441 71.495 1.00 0.00 H ATOM 1135 N ASN A1078 17.325 22.410 70.266 1.00140.97 N ATOM 1136 CA ASN A1078 16.075 23.170 70.239 1.00140.07 C ATOM 1137 C ASN A1078 15.512 23.417 68.838 1.00141.66 C ATOM 1138 O ASN A1078 14.303 23.333 68.624 1.00141.35 O ATOM 1139 CB ASN A1078 16.252 24.504 70.970 1.00141.37 C ATOM 1140 CG ASN A1078 14.933 25.206 71.231 1.00168.73 C ATOM 1141 OD1 ASN A1078 13.900 24.563 71.414 1.00165.61 O ATOM 1142 ND2 ASN A1078 14.963 26.533 71.250 1.00159.41 N ATOM 1143 HD22 ASN A1078 15.860 27.035 71.090 1.00 0.00 H ATOM 1144 HD21 ASN A1078 14.090 27.070 71.425 1.00 0.00 H ATOM 1145 H ASN A1078 18.184 22.864 70.636 1.00 0.00 H ATOM 1146 N ILE A1079 16.392 23.726 67.892 1.00135.68 N ATOM 1147 CA ILE A1079 15.983 24.011 66.507 1.00134.08 C ATOM 1148 C ILE A1079 15.962 22.703 65.677 1.00134.44 C ATOM 1149 O ILE A1079 16.745 21.791 65.974 1.00133.38 O ATOM 1150 CB ILE A1079 16.958 25.071 65.920 1.00136.94 C ATOM 1151 CG1 ILE A1079 18.426 24.590 65.881 1.00137.10 C ATOM 1152 CG2 ILE A1079 16.836 26.420 66.638 1.00137.32 C ATOM 1153 CD1 ILE A1079 19.362 25.499 65.128 1.00144.14 C ATOM 1154 H ILE A1079 17.402 23.768 68.138 1.00 0.00 H ATOM 1155 N SER A1080 15.081 22.611 64.655 1.00128.57 N ATOM 1156 CA SER A1080 14.940 21.402 63.830 1.00127.29 C ATOM 1157 C SER A1080 16.117 21.163 62.918 1.00128.62 C ATOM 1158 O SER A1080 16.956 22.044 62.756 1.00128.58 O ATOM 1159 CB SER A1080 13.663 21.459 62.994 1.00130.68 C ATOM 1160 OG SER A1080 13.639 22.595 62.146 1.00137.43 O ATOM 1161 HG SER A1080 13.688 23.417 62.696 1.00 0.00 H ATOM 1162 H SER A1080 14.477 23.431 64.443 1.00 0.00 H ATOM 1163 N ASP A1081 16.160 19.980 62.286 1.00123.11 N ATOM 1164 CA ASP A1081 17.187 19.649 61.306 1.00122.34 C ATOM 1165 C ASP A1081 16.963 20.458 60.043 1.00123.68 C ATOM 1166 O ASP A1081 17.910 20.680 59.299 1.00123.84 O ATOM 1167 CB ASP A1081 17.178 18.150 60.988 1.00124.51 C ATOM 1168 CG ASP A1081 17.691 17.288 62.122 1.00137.53 C ATOM 1169 OD1 ASP A1081 18.320 17.840 63.052 1.00138.49 O ATOM 1170 OD2 ASP A1081 17.442 16.060 62.095 1.00145.22 O ATOM 1171 H ASP A1081 15.431 19.271 62.504 1.00 0.00 H ATOM 1172 N GLU A1082 15.715 20.908 59.815 1.00118.08 N ATOM 1173 CA GLU A1082 15.311 21.718 58.662 1.00117.21 C ATOM 1174 C GLU A1082 15.840 23.138 58.767 1.00117.40 C ATOM 1175 O GLU A1082 16.440 23.628 57.819 1.00116.86 O ATOM 1176 CB GLU A1082 13.785 21.749 58.526 1.00119.10 C ATOM 1177 CG GLU A1082 13.181 20.556 57.803 1.00135.33 C ATOM 1178 CD GLU A1082 11.703 20.704 57.480 1.00168.48 C ATOM 1179 OE1 GLU A1082 11.046 19.675 57.195 1.00167.39 O ATOM 1180 OE2 GLU A1082 11.198 21.851 57.521 1.00168.54 O ATOM 1181 H GLU A1082 14.981 20.662 60.510 1.00 0.00 H ATOM 1182 N GLU A1083 15.599 23.802 59.911 1.00111.70 N ATOM 1183 CA GLU A1083 16.093 25.148 60.194 1.00110.44 C ATOM 1184 C GLU A1083 17.629 25.147 60.197 1.00111.85 C ATOM 1185 O GLU A1083 18.243 26.103 59.718 1.00111.65 O ATOM 1186 CB GLU A1083 15.572 25.626 61.549 1.00111.92 C ATOM 1187 CG GLU A1083 14.190 26.262 61.507 1.00124.37 C ATOM 1188 CD GLU A1083 13.504 26.408 62.856 1.00152.12 C ATOM 1189 OE1 GLU A1083 13.705 25.540 63.740 1.00151.88 O ATOM 1190 OE2 GLU A1083 12.730 27.380 63.013 1.00148.11 O ATOM 1191 H GLU A1083 15.026 23.329 60.639 1.00 0.00 H ATOM 1192 N SER A1084 18.240 24.055 60.704 1.00106.15 N ATOM 1193 CA SER A1084 19.693 23.881 60.759 1.00104.79 C ATOM 1194 C SER A1084 20.283 23.774 59.353 1.00104.66 C ATOM 1195 O SER A1084 21.250 24.480 59.062 1.00103.32 O ATOM 1196 CB SER A1084 20.063 22.662 61.595 1.00109.00 C ATOM 1197 OG SER A1084 21.469 22.481 61.600 1.00119.94 O ATOM 1198 HG SER A1084 21.696 21.687 62.146 1.00 0.00 H ATOM 1199 H SER A1084 17.642 23.291 61.078 1.00 0.00 H ATOM 1200 N GLU A1085 19.705 22.921 58.514 1.00 98.86 N ATOM 1201 CA GLU A1085 20.172 22.752 57.146 1.00 97.42 C ATOM 1202 C GLU A1085 19.999 24.054 56.371 1.00 97.23 C ATOM 1203 O GLU A1085 20.860 24.437 55.579 1.00 96.71 O ATOM 1204 CB GLU A1085 19.411 21.621 56.453 1.00 99.00 C ATOM 1205 CG GLU A1085 19.692 20.241 57.027 1.00113.34 C ATOM 1206 CD GLU A1085 18.866 19.156 56.364 1.00140.40 C ATOM 1207 OE1 GLU A1085 17.943 19.496 55.594 1.00131.90 O ATOM 1208 OE2 GLU A1085 19.140 17.963 56.613 1.00137.27 O ATOM 1209 H GLU A1085 18.896 22.358 58.844 1.00 0.00 H ATOM 1210 N GLN A1086 18.879 24.730 56.607 1.00 90.61 N ATOM 1211 CA GLN A1086 18.586 25.990 55.934 1.00 88.74 C ATOM 1212 C GLN A1086 19.625 27.048 56.289 1.00 90.40 C ATOM 1213 O GLN A1086 20.068 27.808 55.428 1.00 89.84 O ATOM 1214 CB GLN A1086 17.186 26.483 56.302 1.00 89.35 C ATOM 1215 CG GLN A1086 16.061 25.592 55.796 1.00 88.76 C ATOM 1216 CD GLN A1086 16.047 25.454 54.284 1.00 89.14 C ATOM 1217 OE1 GLN A1086 16.281 26.422 53.562 1.00 80.25 O ATOM 1218 NE2 GLN A1086 15.774 24.247 53.798 1.00 73.49 N ATOM 1219 HE22 GLN A1086 15.582 23.457 54.446 1.00 0.00 H ATOM 1220 HE21 GLN A1086 15.752 24.093 52.770 1.00 0.00 H ATOM 1221 H GLN A1086 18.193 24.350 57.290 1.00 0.00 H ATOM 1222 N ALA A1087 20.014 27.090 57.560 1.00 85.43 N ATOM 1223 CA ALA A1087 21.013 28.047 58.014 1.00 84.82 C ATOM 1224 C ALA A1087 22.319 27.746 57.294 1.00 89.70 C ATOM 1225 O ALA A1087 23.040 28.651 56.874 1.00 88.92 O ATOM 1226 CB ALA A1087 21.197 27.951 59.519 1.00 85.12 C ATOM 1227 H ALA A1087 19.596 26.426 58.243 1.00 0.00 H ATOM 1228 N THR A1088 22.607 26.457 57.154 1.00 85.96 N ATOM 1229 CA THR A1088 23.813 25.990 56.473 1.00 85.04 C ATOM 1230 C THR A1088 23.770 26.422 55.008 1.00 87.96 C ATOM 1231 O THR A1088 24.764 26.936 54.502 1.00 88.26 O ATOM 1232 CB THR A1088 23.957 24.465 56.582 1.00 92.99 C ATOM 1233 OG1 THR A1088 24.325 24.138 57.921 1.00 94.32 O ATOM 1234 CG2 THR A1088 25.008 23.901 55.628 1.00 91.12 C ATOM 1235 HG1 THR A1088 23.623 24.456 58.542 1.00 0.00 H ATOM 1236 H THR A1088 21.949 25.753 57.544 1.00 0.00 H ATOM 1237 N GLU A1089 22.628 26.211 54.333 1.00 82.26 N ATOM 1238 CA GLU A1089 22.476 26.516 52.914 1.00 80.42 C ATOM 1239 C GLU A1089 22.512 28.005 52.627 1.00 80.14 C ATOM 1240 O GLU A1089 23.027 28.393 51.587 1.00 79.48 O ATOM 1241 CB GLU A1089 21.248 25.834 52.321 1.00 82.04 C ATOM 1242 CG GLU A1089 21.356 24.318 52.402 1.00 98.82 C ATOM 1243 CD GLU A1089 22.583 23.709 51.742 1.00127.52 C ATOM 1244 OE1 GLU A1089 22.836 24.012 50.551 1.00123.68 O ATOM 1245 OE2 GLU A1089 23.313 22.960 52.434 1.00124.54 O ATOM 1246 H GLU A1089 21.815 25.812 54.845 1.00 0.00 H ATOM 1247 N MET A1090 22.032 28.836 53.553 1.00 74.32 N ATOM 1248 CA MET A1090 22.122 30.280 53.421 1.00 73.77 C ATOM 1249 C MET A1090 23.583 30.679 53.448 1.00 74.29 C ATOM 1250 O MET A1090 24.007 31.449 52.594 1.00 73.48 O ATOM 1251 CB MET A1090 21.400 30.965 54.572 1.00 76.91 C ATOM 1252 CG MET A1090 19.899 30.820 54.522 1.00 81.50 C ATOM 1253 SD MET A1090 19.054 31.894 55.705 1.00 86.84 S ATOM 1254 CE MET A1090 19.617 31.165 57.253 1.00 83.71 C ATOM 1255 H MET A1090 21.578 28.437 54.399 1.00 0.00 H ATOM 1256 N LEU A1091 24.354 30.135 54.421 1.00 68.78 N ATOM 1257 CA LEU A1091 25.798 30.364 54.579 1.00 66.65 C ATOM 1258 C LEU A1091 26.553 29.897 53.311 1.00 65.90 C ATOM 1259 O LEU A1091 27.331 30.666 52.751 1.00 63.55 O ATOM 1260 CB LEU A1091 26.328 29.663 55.856 1.00 66.35 C ATOM 1261 CG LEU A1091 27.724 30.008 56.344 1.00 70.51 C ATOM 1262 CD1 LEU A1091 27.942 31.478 56.399 1.00 69.94 C ATOM 1263 CD2 LEU A1091 27.972 29.437 57.714 1.00 74.41 C ATOM 1264 H LEU A1091 23.889 29.508 55.108 1.00 0.00 H ATOM 1265 N VAL A1092 26.283 28.680 52.854 1.00 61.18 N ATOM 1266 CA VAL A1092 26.958 28.158 51.674 1.00 60.75 C ATOM 1267 C VAL A1092 26.679 29.024 50.450 1.00 68.82 C ATOM 1268 O VAL A1092 27.576 29.275 49.646 1.00 70.04 O ATOM 1269 CB VAL A1092 26.530 26.709 51.374 1.00 63.03 C ATOM 1270 CG1 VAL A1092 27.153 26.231 50.071 1.00 62.72 C ATOM 1271 CG2 VAL A1092 26.916 25.793 52.525 1.00 62.33 C ATOM 1272 H VAL A1092 25.580 28.092 53.345 1.00 0.00 H ATOM 1273 N HIS A1093 25.440 29.484 50.309 1.00 67.21 N ATOM 1274 CA HIS A1093 25.084 30.327 49.173 1.00 67.95 C ATOM 1275 C HIS A1093 25.866 31.639 49.198 1.00 69.28 C ATOM 1276 O HIS A1093 26.351 32.100 48.164 1.00 68.52 O ATOM 1277 CB HIS A1093 23.581 30.610 49.167 1.00 70.23 C ATOM 1278 CG HIS A1093 23.126 31.433 48.002 1.00 74.69 C ATOM 1279 ND1 HIS A1093 23.253 31.009 46.696 1.00 76.83 N ATOM 1280 CD2 HIS A1093 22.545 32.655 47.945 1.00 76.84 C ATOM 1281 CE1 HIS A1093 22.770 31.934 45.886 1.00 76.28 C ATOM 1282 NE2 HIS A1093 22.335 32.943 46.619 1.00 76.56 N ATOM 1283 H HIS A1093 24.717 29.240 51.016 1.00 0.00 H ATOM 1284 N ASN A1094 25.989 32.233 50.381 1.00 65.90 N ATOM 1285 CA ASN A1094 26.724 33.486 50.540 1.00 64.79 C ATOM 1286 C ASN A1094 28.200 33.292 50.208 1.00 64.08 C ATOM 1287 O ASN A1094 28.825 34.135 49.565 1.00 61.64 O ATOM 1288 CB ASN A1094 26.569 34.022 51.964 1.00 66.74 C ATOM 1289 CG ASN A1094 27.061 35.449 52.106 1.00102.50 C ATOM 1290 OD1 ASN A1094 26.991 36.239 51.164 1.00 94.02 O ATOM 1291 ND2 ASN A1094 27.564 35.787 53.288 1.00103.57 N ATOM 1292 HD22 ASN A1094 27.603 35.087 54.056 1.00 0.00 H ATOM 1293 HD21 ASN A1094 27.918 36.752 53.446 1.00 0.00 H ATOM 1294 H ASN A1094 25.550 31.794 51.216 1.00 0.00 H ATOM 1295 N ALA A1095 28.743 32.167 50.659 1.00 58.59 N ATOM 1296 CA ALA A1095 30.140 31.812 50.432 1.00 56.41 C ATOM 1297 C ALA A1095 30.421 31.657 48.944 1.00 62.28 C ATOM 1298 O ALA A1095 31.432 32.166 48.471 1.00 61.76 O ATOM 1299 CB ALA A1095 30.496 30.535 51.171 1.00 56.17 C ATOM 1300 H ALA A1095 28.145 31.509 51.199 1.00 0.00 H ATOM 1301 N GLN A1096 29.521 30.988 48.187 1.00 60.40 N ATOM 1302 CA GLN A1096 29.687 30.821 46.730 1.00 59.73 C ATOM 1303 C GLN A1096 29.668 32.184 46.029 1.00 62.83 C ATOM 1304 O GLN A1096 30.520 32.464 45.192 1.00 61.18 O ATOM 1305 CB GLN A1096 28.607 29.888 46.148 1.00 60.40 C ATOM 1306 CG GLN A1096 28.695 28.434 46.643 1.00 73.57 C ATOM 1307 CD GLN A1096 27.471 27.578 46.321 1.00 87.67 C ATOM 1308 OE1 GLN A1096 26.302 28.010 46.421 1.00 76.46 O ATOM 1309 NE2 GLN A1096 27.715 26.310 46.017 1.00 81.06 N ATOM 1310 HE22 GLN A1096 28.696 25.973 45.939 1.00 0.00 H ATOM 1311 HE21 GLN A1096 26.925 25.653 45.856 1.00 0.00 H ATOM 1312 H GLN A1096 28.684 30.577 48.647 1.00 0.00 H ATOM 1313 N ASN A1097 28.701 33.029 46.397 1.00 60.84 N ATOM 1314 CA ASN A1097 28.535 34.372 45.846 1.00 61.62 C ATOM 1315 C ASN A1097 29.798 35.189 46.093 1.00 67.33 C ATOM 1316 O ASN A1097 30.294 35.836 45.170 1.00 67.96 O ATOM 1317 CB ASN A1097 27.337 35.072 46.492 1.00 66.00 C ATOM 1318 CG ASN A1097 25.987 34.552 46.108 1.00102.73 C ATOM 1319 OD1 ASN A1097 25.484 34.821 45.004 1.00100.31 O ATOM 1320 ND2 ASN A1097 25.425 33.725 46.990 1.00 96.31 N ATOM 1321 HD22 ASN A1097 25.894 33.538 47.899 1.00 0.00 H ATOM 1322 HD21 ASN A1097 24.518 33.267 46.769 1.00 0.00 H ATOM 1323 H ASN A1097 28.025 32.711 47.120 1.00 0.00 H ATOM 1324 N LEU A1098 30.347 35.125 47.327 1.00 63.35 N ATOM 1325 CA LEU A1098 31.559 35.865 47.699 1.00 61.61 C ATOM 1326 C LEU A1098 32.762 35.391 46.904 1.00 62.20 C ATOM 1327 O LEU A1098 33.482 36.207 46.340 1.00 60.17 O ATOM 1328 CB LEU A1098 31.837 35.784 49.208 1.00 61.28 C ATOM 1329 CG LEU A1098 32.966 36.659 49.740 1.00 65.24 C ATOM 1330 CD1 LEU A1098 32.784 38.105 49.340 1.00 64.99 C ATOM 1331 CD2 LEU A1098 33.054 36.557 51.251 1.00 68.35 C ATOM 1332 H LEU A1098 29.891 34.525 48.044 1.00 0.00 H ATOM 1333 N MET A1099 32.968 34.075 46.840 1.00 57.87 N ATOM 1334 CA MET A1099 34.076 33.498 46.078 1.00 57.43 C ATOM 1335 C MET A1099 33.993 33.925 44.621 1.00 61.26 C ATOM 1336 O MET A1099 34.978 34.391 44.068 1.00 59.35 O ATOM 1337 CB MET A1099 34.180 31.961 46.256 1.00 59.69 C ATOM 1338 CG MET A1099 34.450 31.503 47.707 1.00 63.79 C ATOM 1339 SD MET A1099 36.015 32.019 48.477 1.00 69.23 S ATOM 1340 CE MET A1099 35.646 33.692 49.075 1.00 65.89 C ATOM 1341 H MET A1099 32.321 33.439 47.348 1.00 0.00 H ATOM 1342 N GLN A1100 32.801 33.851 44.039 1.00 60.96 N ATOM 1343 CA GLN A1100 32.593 34.284 42.660 1.00 60.71 C ATOM 1344 C GLN A1100 32.849 35.788 42.442 1.00 61.81 C ATOM 1345 O GLN A1100 33.433 36.172 41.429 1.00 58.71 O ATOM 1346 CB GLN A1100 31.180 33.922 42.195 1.00 61.90 C ATOM 1347 CG GLN A1100 30.911 34.227 40.731 1.00 66.76 C ATOM 1348 CD GLN A1100 31.778 33.406 39.796 1.00 78.07 C ATOM 1349 OE1 GLN A1100 31.727 32.176 39.803 1.00 69.13 O ATOM 1350 NE2 GLN A1100 32.581 34.085 38.985 1.00 72.95 N ATOM 1351 HE22 GLN A1100 32.591 35.125 39.014 1.00 0.00 H ATOM 1352 HE21 GLN A1100 33.200 33.577 38.321 1.00 0.00 H ATOM 1353 H GLN A1100 31.996 33.475 44.579 1.00 0.00 H ATOM 1354 N SER A1101 32.414 36.633 43.379 1.00 58.34 N ATOM 1355 CA SER A1101 32.603 38.075 43.249 1.00 58.70 C ATOM 1356 C SER A1101 34.073 38.505 43.310 1.00 62.60 C ATOM 1357 O SER A1101 34.486 39.368 42.548 1.00 63.37 O ATOM 1358 CB SER A1101 31.781 38.813 44.290 1.00 63.76 C ATOM 1359 OG SER A1101 30.393 38.622 44.065 1.00 75.19 O ATOM 1360 HG SER A1101 30.181 37.656 44.117 1.00 0.00 H ATOM 1361 H SER A1101 31.930 36.257 44.219 1.00 0.00 H ATOM 1362 N VAL A1102 34.864 37.873 44.190 1.00 56.45 N ATOM 1363 CA VAL A1102 36.281 38.162 44.326 1.00 54.22 C ATOM 1364 C VAL A1102 37.042 37.655 43.086 1.00 58.44 C ATOM 1365 O VAL A1102 37.879 38.365 42.565 1.00 59.10 O ATOM 1366 CB VAL A1102 36.804 37.599 45.664 1.00 56.38 C ATOM 1367 CG1 VAL A1102 38.321 37.734 45.784 1.00 56.01 C ATOM 1368 CG2 VAL A1102 36.105 38.284 46.837 1.00 55.57 C ATOM 1369 H VAL A1102 34.444 37.144 44.802 1.00 0.00 H ATOM 1370 N LYS A1103 36.711 36.462 42.596 1.00 54.84 N ATOM 1371 CA LYS A1103 37.302 35.861 41.399 1.00 54.79 C ATOM 1372 C LYS A1103 37.086 36.802 40.193 1.00 61.60 C ATOM 1373 O LYS A1103 38.037 37.130 39.487 1.00 59.76 O ATOM 1374 CB LYS A1103 36.668 34.475 41.167 1.00 55.92 C ATOM 1375 CG LYS A1103 37.202 33.668 40.008 1.00 62.61 C ATOM 1376 CD LYS A1103 36.576 32.272 39.995 1.00 79.42 C ATOM 1377 CE LYS A1103 37.094 31.447 38.846 1.00 90.95 C ATOM 1378 NZ LYS A1103 36.483 30.093 38.790 1.00103.94 N ATOM 1379 HZ1 LYS A1103 36.695 29.582 39.671 1.00 0.00 H ATOM 1380 HZ2 LYS A1103 35.453 30.183 38.679 1.00 0.00 H ATOM 1381 HZ3 LYS A1103 36.876 29.570 37.981 1.00 0.00 H ATOM 1382 H LYS A1103 35.981 35.919 43.099 1.00 0.00 H ATOM 1383 N GLU A1104 35.845 37.278 40.003 1.00 61.11 N ATOM 1384 CA GLU A1104 35.499 38.248 38.954 1.00 61.39 C ATOM 1385 C GLU A1104 36.282 39.543 39.173 1.00 65.70 C ATOM 1386 O GLU A1104 36.750 40.132 38.195 1.00 66.64 O ATOM 1387 CB GLU A1104 33.993 38.575 38.973 1.00 62.63 C ATOM 1388 CG GLU A1104 33.051 37.450 38.593 1.00 72.54 C ATOM 1389 CD GLU A1104 31.582 37.817 38.702 1.00 92.07 C ATOM 1390 OE1 GLU A1104 31.294 38.900 39.260 1.00 86.59 O ATOM 1391 OE2 GLU A1104 30.724 37.052 38.200 1.00 90.42 O ATOM 1392 H GLU A1104 35.088 36.942 40.632 1.00 0.00 H ATOM 1393 N THR A1105 36.432 39.988 40.451 1.00 59.37 N ATOM 1394 CA THR A1105 37.178 41.201 40.780 1.00 57.67 C ATOM 1395 C THR A1105 38.677 41.024 40.404 1.00 61.75 C ATOM 1396 O THR A1105 39.279 41.950 39.872 1.00 61.50 O ATOM 1397 CB THR A1105 36.947 41.607 42.253 1.00 59.52 C ATOM 1398 OG1 THR A1105 35.549 41.777 42.514 1.00 59.01 O ATOM 1399 CG2 THR A1105 37.671 42.890 42.628 1.00 50.88 C ATOM 1400 HG1 THR A1105 35.075 40.926 42.337 1.00 0.00 H ATOM 1401 H THR A1105 35.999 39.443 41.224 1.00 0.00 H ATOM 1402 N VAL A1106 39.259 39.838 40.645 1.00 57.80 N ATOM 1403 CA VAL A1106 40.655 39.551 40.316 1.00 57.01 C ATOM 1404 C VAL A1106 40.847 39.650 38.790 1.00 66.55 C ATOM 1405 O VAL A1106 41.712 40.379 38.321 1.00 65.43 O ATOM 1406 CB VAL A1106 41.131 38.182 40.911 1.00 58.29 C ATOM 1407 CG1 VAL A1106 42.492 37.783 40.374 1.00 58.03 C ATOM 1408 CG2 VAL A1106 41.175 38.225 42.430 1.00 57.20 C ATOM 1409 H VAL A1106 38.690 39.088 41.087 1.00 0.00 H ATOM 1410 N ARG A1107 40.016 38.936 38.031 1.00 68.83 N ATOM 1411 CA ARG A1107 40.045 38.898 36.575 1.00 71.17 C ATOM 1412 C ARG A1107 39.939 40.330 35.972 1.00 80.81 C ATOM 1413 O ARG A1107 40.809 40.747 35.200 1.00 81.61 O ATOM 1414 CB ARG A1107 38.914 38.000 36.116 1.00 71.88 C ATOM 1415 CG ARG A1107 38.858 37.743 34.657 1.00 91.04 C ATOM 1416 CD ARG A1107 37.967 36.561 34.462 1.00111.76 C ATOM 1417 NE ARG A1107 38.640 35.293 34.734 1.00120.71 N ATOM 1418 CZ ARG A1107 37.998 34.136 34.847 1.00138.99 C ATOM 1419 NH1 ARG A1107 36.672 34.092 34.767 1.00126.18 N ATOM 1420 NH2 ARG A1107 38.673 33.016 35.057 1.00129.09 N ATOM 1421 HE ARG A1107 39.674 35.297 34.845 1.00 0.00 H ATOM 1422 HH12 ARG A1107 36.176 33.183 34.856 1.00 0.00 H ATOM 1423 HH11 ARG A1107 36.131 34.967 34.615 1.00 0.00 H ATOM 1424 HH22 ARG A1107 38.166 32.112 35.145 1.00 0.00 H ATOM 1425 HH21 ARG A1107 39.710 33.040 35.134 1.00 0.00 H ATOM 1426 H ARG A1107 39.294 38.364 38.514 1.00 0.00 H ATOM 1427 N GLU A1108 38.918 41.089 36.381 1.00 79.41 N ATOM 1428 CA GLU A1108 38.695 42.458 35.908 1.00 80.02 C ATOM 1429 C GLU A1108 39.737 43.457 36.347 1.00 83.34 C ATOM 1430 O GLU A1108 40.068 44.347 35.572 1.00 84.12 O ATOM 1431 CB GLU A1108 37.301 42.936 36.308 1.00 81.96 C ATOM 1432 CG GLU A1108 36.211 42.192 35.549 1.00 97.19 C ATOM 1433 CD GLU A1108 36.084 42.602 34.084 1.00120.97 C ATOM 1434 OE1 GLU A1108 35.428 43.632 33.803 1.00122.03 O ATOM 1435 OE2 GLU A1108 36.695 41.925 33.224 1.00110.47 O ATOM 1436 H GLU A1108 38.249 40.688 37.069 1.00 0.00 H ATOM 1437 N ALA A1109 40.249 43.331 37.585 1.00 78.21 N ATOM 1438 CA ALA A1109 41.298 44.217 38.061 1.00 76.57 C ATOM 1439 C ALA A1109 42.543 44.044 37.180 1.00 81.45 C ATOM 1440 O ALA A1109 43.219 45.029 36.899 1.00 81.84 O ATOM 1441 CB ALA A1109 41.625 43.928 39.507 1.00 76.82 C ATOM 1442 H ALA A1109 39.887 42.585 38.213 1.00 0.00 H ATOM 1443 N GLU A1110 42.824 42.808 36.717 1.00 77.97 N ATOM 1444 CA GLU A1110 43.962 42.530 35.840 1.00 78.15 C ATOM 1445 C GLU A1110 43.706 43.159 34.464 1.00 85.42 C ATOM 1446 O GLU A1110 44.579 43.848 33.926 1.00 85.73 O ATOM 1447 CB GLU A1110 44.249 41.009 35.759 1.00 79.22 C ATOM 1448 CG GLU A1110 45.590 40.657 35.145 1.00 87.09 C ATOM 1449 CD GLU A1110 45.606 40.628 33.629 1.00103.06 C ATOM 1450 OE1 GLU A1110 44.519 40.561 33.016 1.00 97.45 O ATOM 1451 OE2 GLU A1110 46.713 40.665 33.050 1.00 99.07 O ATOM 1452 H GLU A1110 42.206 42.020 36.995 1.00 0.00 H ATOM 1453 N ALA A1111 42.500 42.929 33.912 1.00 83.20 N ATOM 1454 CA ALA A1111 42.066 43.519 32.653 1.00 82.88 C ATOM 1455 C ALA A1111 42.195 45.049 32.714 1.00 86.46 C ATOM 1456 O ALA A1111 42.708 45.639 31.764 1.00 85.96 O ATOM 1457 CB ALA A1111 40.626 43.125 32.349 1.00 83.68 C ATOM 1458 H ALA A1111 41.843 42.296 34.411 1.00 0.00 H ATOM 1459 N ALA A1112 41.779 45.678 33.836 1.00 83.76 N ATOM 1460 CA ALA A1112 41.863 47.129 34.032 1.00 85.17 C ATOM 1461 C ALA A1112 43.280 47.655 34.108 1.00 95.38 C ATOM 1462 O ALA A1112 43.510 48.785 33.699 1.00 95.03 O ATOM 1463 CB ALA A1112 41.085 47.572 35.263 1.00 85.65 C ATOM 1464 H ALA A1112 41.377 45.101 34.602 1.00 0.00 H ATOM 1465 N SER A1113 44.230 46.871 34.630 1.00 96.81 N ATOM 1466 CA SER A1113 45.624 47.310 34.752 1.00 98.54 C ATOM 1467 C SER A1113 46.258 47.608 33.382 1.00108.61 C ATOM 1468 O SER A1113 47.068 48.531 33.259 1.00108.45 O ATOM 1469 CB SER A1113 46.442 46.266 35.507 1.00101.61 C ATOM 1470 OG SER A1113 46.823 45.212 34.637 1.00108.03 O ATOM 1471 HG SER A1113 46.012 44.781 34.267 1.00 0.00 H ATOM 1472 H SER A1113 43.972 45.919 34.960 1.00 0.00 H ATOM 1473 N ILE A1114 45.876 46.827 32.358 1.00109.71 N ATOM 1474 CA ILE A1114 46.368 46.993 30.990 1.00111.15 C ATOM 1475 C ILE A1114 46.124 48.422 30.486 1.00118.84 C ATOM 1476 O ILE A1114 46.969 48.981 29.789 1.00117.49 O ATOM 1477 CB ILE A1114 45.732 45.934 30.050 1.00114.49 C ATOM 1478 CG1 ILE A1114 45.900 44.481 30.597 1.00115.25 C ATOM 1479 CG2 ILE A1114 46.296 46.069 28.628 1.00115.00 C ATOM 1480 CD1 ILE A1114 44.874 43.439 30.048 1.00121.15 C ATOM 1481 H ILE A1114 45.195 46.064 32.547 1.00 0.00 H ATOM 1482 N LYS A1115 44.992 49.012 30.869 1.00120.03 N ATOM 1483 CA LYS A1115 44.602 50.343 30.422 1.00121.94 C ATOM 1484 C LYS A1115 44.983 51.466 31.350 1.00130.17 C ATOM 1485 O LYS A1115 44.544 52.592 31.124 1.00128.98 O ATOM 1486 CB LYS A1115 43.086 50.382 30.196 1.00124.97 C ATOM 1487 CG LYS A1115 42.663 49.466 29.061 1.00140.79 C ATOM 1488 CD LYS A1115 41.160 49.469 28.795 1.00152.86 C ATOM 1489 CE LYS A1115 40.887 48.482 27.681 1.00163.11 C ATOM 1490 NZ LYS A1115 41.541 48.872 26.407 1.00170.51 N ATOM 1491 HZ1 LYS A1115 41.186 49.802 26.107 1.00 0.00 H ATOM 1492 HZ2 LYS A1115 42.570 48.922 26.548 1.00 0.00 H ATOM 1493 HZ3 LYS A1115 41.324 48.164 25.676 1.00 0.00 H ATOM 1494 H LYS A1115 44.359 48.500 31.516 1.00 0.00 H ATOM 1495 N ILE A1116 45.827 51.212 32.340 1.00131.31 N ATOM 1496 CA ILE A1116 46.157 52.235 33.326 1.00132.84 C ATOM 1497 C ILE A1116 46.635 53.545 32.713 1.00140.93 C ATOM 1498 O ILE A1116 47.349 53.561 31.710 1.00141.33 O ATOM 1499 CB ILE A1116 47.224 51.733 34.318 1.00135.68 C ATOM 1500 CG1 ILE A1116 48.517 51.382 33.579 1.00135.79 C ATOM 1501 CG2 ILE A1116 46.706 50.533 35.096 1.00136.20 C ATOM 1502 CD1 ILE A1116 49.683 51.086 34.496 1.00137.98 C ATOM 1503 H ILE A1116 46.260 50.270 32.415 1.00 0.00 H ATOM 1504 N ARG A1117 46.250 54.636 33.369 1.00138.99 N ATOM 1505 CA ARG A1117 46.578 55.968 32.905 1.00139.16 C ATOM 1506 C ARG A1117 48.073 55.969 32.774 1.00144.25 C ATOM 1507 O ARG A1117 48.780 55.355 33.574 1.00143.87 O ATOM 1508 CB ARG A1117 46.131 57.020 33.919 1.00138.92 C ATOM 1509 CG ARG A1117 44.624 57.099 34.108 1.00149.97 C ATOM 1510 CD ARG A1117 44.256 58.093 35.197 1.00165.04 C ATOM 1511 NE ARG A1117 44.641 59.457 34.846 1.00181.03 N ATOM 1512 CZ ARG A1117 44.538 60.497 35.667 1.00197.73 C ATOM 1513 NH1 ARG A1117 44.913 61.703 35.262 1.00182.88 N ATOM 1514 NH2 ARG A1117 44.060 60.332 36.893 1.00186.40 N ATOM 1515 HE ARG A1117 45.020 59.626 33.892 1.00 0.00 H ATOM 1516 HH12 ARG A1117 44.832 62.516 35.905 1.00 0.00 H ATOM 1517 HH11 ARG A1117 45.288 61.836 34.301 1.00 0.00 H ATOM 1518 HH22 ARG A1117 43.980 61.147 37.534 1.00 0.00 H ATOM 1519 HH21 ARG A1117 43.765 59.388 37.213 1.00 0.00 H ATOM 1520 H ARG A1117 45.696 54.529 34.243 1.00 0.00 H ATOM 1521 N THR A1118 48.549 56.588 31.697 1.00141.43 N ATOM 1522 CA THR A1118 49.969 56.574 31.401 1.00141.44 C ATOM 1523 C THR A1118 50.800 57.341 32.399 1.00143.71 C ATOM 1524 O THR A1118 50.571 58.521 32.667 1.00143.20 O ATOM 1525 CB THR A1118 50.250 57.133 29.992 1.00153.34 C ATOM 1526 OG1 THR A1118 49.788 58.487 29.911 1.00154.97 O ATOM 1527 CG2 THR A1118 49.544 56.297 28.936 1.00151.85 C ATOM 1528 HG1 THR A1118 50.262 59.037 30.584 1.00 0.00 H ATOM 1529 H THR A1118 47.896 57.087 31.060 1.00 0.00 H ATOM 1530 N ASP A1119 51.785 56.649 32.966 1.00138.41 N ATOM 1531 CA ASP A1119 52.708 57.238 33.935 1.00137.09 C ATOM 1532 C ASP A1119 52.045 57.880 35.153 1.00137.73 C ATOM 1533 O ASP A1119 52.468 58.948 35.595 1.00137.36 O ATOM 1534 CB ASP A1119 53.620 58.257 33.245 1.00138.91 C ATOM 1535 CG ASP A1119 54.451 57.640 32.138 1.00148.13 C ATOM 1536 OD1 ASP A1119 54.316 56.422 31.899 1.00148.39 O ATOM 1537 OD2 ASP A1119 55.239 58.374 31.505 1.00153.14 O ATOM 1538 H ASP A1119 51.903 55.648 32.709 1.00 0.00 H ATOM 1539 N ALA A1120 51.015 57.241 35.698 1.00131.36 N ATOM 1540 CA ALA A1120 50.338 57.800 36.865 1.00129.30 C ATOM 1541 C ALA A1120 50.445 56.921 38.112 1.00127.13 C ATOM 1542 O ALA A1120 50.084 55.745 38.092 1.00126.44 O ATOM 1543 CB ALA A1120 48.878 58.083 36.542 1.00130.06 C ATOM 1544 H ALA A1120 50.690 56.340 35.292 1.00 0.00 H ATOM 1545 N GLY A1121 50.941 57.513 39.196 1.00118.42 N ATOM 1546 CA GLY A1121 51.084 56.826 40.468 1.00115.26 C ATOM 1547 C GLY A1121 51.896 55.545 40.438 1.00111.46 C ATOM 1548 O GLY A1121 52.991 55.491 39.879 1.00111.11 O ATOM 1549 H GLY A1121 51.238 58.507 39.130 1.00 0.00 H ATOM 1550 N PHE A1122 51.337 54.506 41.052 1.00101.75 N ATOM 1551 CA PHE A1122 51.962 53.188 41.121 1.00 98.50 C ATOM 1552 C PHE A1122 50.916 52.117 40.825 1.00 99.40 C ATOM 1553 O PHE A1122 49.807 52.163 41.359 1.00 99.52 O ATOM 1554 CB PHE A1122 52.581 52.957 42.500 1.00 98.69 C ATOM 1555 CG PHE A1122 53.708 53.895 42.823 1.00 98.32 C ATOM 1556 CD1 PHE A1122 54.992 53.639 42.372 1.00 99.45 C ATOM 1557 CD2 PHE A1122 53.483 55.034 43.578 1.00 99.45 C ATOM 1558 CE1 PHE A1122 56.031 54.501 42.668 1.00 99.95 C ATOM 1559 CE2 PHE A1122 54.518 55.900 43.878 1.00101.73 C ATOM 1560 CZ PHE A1122 55.794 55.633 43.422 1.00 99.50 C ATOM 1561 H PHE A1122 50.410 54.639 41.505 1.00 0.00 H ATOM 1562 N THR A1123 51.282 51.172 39.965 1.00 91.96 N ATOM 1563 CA THR A1123 50.421 50.060 39.567 1.00 89.45 C ATOM 1564 C THR A1123 50.586 48.822 40.453 1.00 87.15 C ATOM 1565 O THR A1123 51.436 48.796 41.351 1.00 87.39 O ATOM 1566 CB THR A1123 50.663 49.660 38.099 1.00 97.40 C ATOM 1567 OG1 THR A1123 52.034 49.281 37.925 1.00 94.09 O ATOM 1568 CG2 THR A1123 50.340 50.820 37.170 1.00 98.84 C ATOM 1569 HG1 THR A1123 52.187 49.024 36.981 1.00 0.00 H ATOM 1570 H THR A1123 52.235 51.227 39.552 1.00 0.00 H ATOM 1571 N LEU A1124 49.756 47.811 40.189 1.00 77.06 N ATOM 1572 CA LEU A1124 49.786 46.531 40.898 1.00 73.15 C ATOM 1573 C LEU A1124 50.419 45.536 39.928 1.00 74.58 C ATOM 1574 O LEU A1124 49.972 45.400 38.782 1.00 74.53 O ATOM 1575 CB LEU A1124 48.375 46.087 41.279 1.00 72.08 C ATOM 1576 CG LEU A1124 47.818 46.651 42.588 1.00 74.64 C ATOM 1577 CD1 LEU A1124 47.620 48.156 42.484 1.00 73.53 C ATOM 1578 CD2 LEU A1124 46.515 45.959 42.959 1.00 75.28 C ATOM 1579 H LEU A1124 49.049 47.940 39.438 1.00 0.00 H ATOM 1580 N ARG A1125 51.461 44.841 40.374 1.00 68.14 N ATOM 1581 CA ARG A1125 52.179 43.935 39.478 1.00 66.32 C ATOM 1582 C ARG A1125 51.522 42.572 39.241 1.00 69.86 C ATOM 1583 O ARG A1125 51.279 41.778 40.162 1.00 69.30 O ATOM 1584 CB ARG A1125 53.616 43.735 39.970 1.00 61.77 C ATOM 1585 CG ARG A1125 54.453 42.824 39.087 1.00 60.69 C ATOM 1586 CD ARG A1125 55.884 42.728 39.591 1.00 69.16 C ATOM 1587 NE ARG A1125 55.961 42.088 40.901 1.00 67.84 N ATOM 1588 CZ ARG A1125 55.972 40.772 41.089 1.00 77.01 C ATOM 1589 NH1 ARG A1125 55.911 39.951 40.050 1.00 76.39 N ATOM 1590 NH2 ARG A1125 56.044 40.277 42.317 1.00 58.28 N ATOM 1591 HE ARG A1125 56.010 42.700 41.740 1.00 0.00 H ATOM 1592 HH12 ARG A1125 55.920 38.922 40.199 1.00 0.00 H ATOM 1593 HH11 ARG A1125 55.854 40.336 39.086 1.00 0.00 H ATOM 1594 HH22 ARG A1125 56.053 39.247 42.463 1.00 0.00 H ATOM 1595 HH21 ARG A1125 56.092 40.918 43.134 1.00 0.00 H ATOM 1596 H ARG A1125 51.766 44.942 41.363 1.00 0.00 H ATOM 1597 N TRP A1126 51.275 42.327 37.962 1.00 65.83 N ATOM 1598 CA TRP A1126 50.642 41.130 37.447 1.00 64.87 C ATOM 1599 C TRP A1126 51.634 40.234 36.758 1.00 67.02 C ATOM 1600 O TRP A1126 51.943 40.439 35.594 1.00 67.84 O ATOM 1601 CB TRP A1126 49.476 41.481 36.541 1.00 63.75 C ATOM 1602 CG TRP A1126 48.451 42.314 37.235 1.00 65.13 C ATOM 1603 CD1 TRP A1126 48.412 43.675 37.300 1.00 67.91 C ATOM 1604 CD2 TRP A1126 47.352 41.836 38.039 1.00 65.35 C ATOM 1605 NE1 TRP A1126 47.341 44.084 38.069 1.00 67.74 N ATOM 1606 CE2 TRP A1126 46.661 42.975 38.518 1.00 69.52 C ATOM 1607 CE3 TRP A1126 46.867 40.548 38.384 1.00 65.82 C ATOM 1608 CZ2 TRP A1126 45.505 42.869 39.313 1.00 68.42 C ATOM 1609 CZ3 TRP A1126 45.717 40.451 39.157 1.00 66.59 C ATOM 1610 CH2 TRP A1126 45.053 41.599 39.616 1.00 67.19 C ATOM 1611 HE1 TRP A1126 47.089 45.071 38.276 1.00 0.00 H ATOM 1612 H TRP A1126 51.558 43.052 37.273 1.00 0.00 H ATOM 1613 N VAL A1127 52.135 39.234 37.473 1.00 62.00 N ATOM 1614 CA VAL A1127 53.080 38.286 36.898 1.00 60.69 C ATOM 1615 C VAL A1127 52.458 36.908 36.976 1.00 66.49 C ATOM 1616 O VAL A1127 52.128 36.447 38.060 1.00 66.16 O ATOM 1617 CB VAL A1127 54.475 38.373 37.580 1.00 62.23 C ATOM 1618 CG1 VAL A1127 55.436 37.308 37.054 1.00 61.21 C ATOM 1619 CG2 VAL A1127 55.060 39.769 37.407 1.00 60.95 C ATOM 1620 H VAL A1127 51.846 39.125 38.466 1.00 0.00 H ATOM 1621 N ARG A1128 52.328 36.239 35.839 1.00 65.70 N ATOM 1622 CA ARG A1128 51.742 34.910 35.841 1.00 65.83 C ATOM 1623 C ARG A1128 52.763 33.818 36.154 1.00 73.91 C ATOM 1624 O ARG A1128 53.776 33.673 35.469 1.00 74.60 O ATOM 1625 CB ARG A1128 51.064 34.622 34.499 1.00 62.63 C ATOM 1626 CG ARG A1128 49.812 35.447 34.247 1.00 68.08 C ATOM 1627 CD ARG A1128 49.234 35.165 32.870 1.00 85.08 C ATOM 1628 NE ARG A1128 48.780 33.784 32.740 1.00101.17 N ATOM 1629 CZ ARG A1128 47.590 33.347 33.138 1.00115.09 C ATOM 1630 NH1 ARG A1128 46.726 34.186 33.695 1.00106.19 N ATOM 1631 NH2 ARG A1128 47.262 32.072 32.980 1.00 94.77 N ATOM 1632 HE ARG A1128 49.430 33.097 32.308 1.00 0.00 H ATOM 1633 HH12 ARG A1128 45.795 33.843 34.006 1.00 0.00 H ATOM 1634 HH11 ARG A1128 46.980 35.187 33.820 1.00 0.00 H ATOM 1635 HH22 ARG A1128 46.330 31.732 33.292 1.00 0.00 H ATOM 1636 HH21 ARG A1128 47.937 31.412 32.544 1.00 0.00 H ATOM 1637 H ARG A1128 52.646 36.666 34.945 1.00 0.00 H ATOM 1638 N LYS A1129 52.465 33.051 37.196 1.00 75.52 N ATOM 1639 CA LYS A1129 53.288 31.922 37.636 1.00 78.40 C ATOM 1640 C LYS A1129 53.102 30.589 36.911 1.00 93.65 C ATOM 1641 O LYS A1129 53.877 29.657 37.129 1.00 93.75 O ATOM 1642 CB LYS A1129 53.120 31.709 39.145 1.00 79.34 C ATOM 1643 CG LYS A1129 53.525 32.907 39.989 1.00 97.04 C ATOM 1644 CD LYS A1129 53.334 32.627 41.471 1.00109.37 C ATOM 1645 CE LYS A1129 51.882 32.310 41.789 1.00132.24 C ATOM 1646 NZ LYS A1129 51.679 32.033 43.238 1.00149.16 N ATOM 1647 HZ1 LYS A1129 52.260 31.217 43.519 1.00 0.00 H ATOM 1648 HZ2 LYS A1129 51.960 32.867 43.792 1.00 0.00 H ATOM 1649 HZ3 LYS A1129 50.676 31.822 43.412 1.00 0.00 H ATOM 1650 H LYS A1129 51.598 33.264 37.730 1.00 0.00 H ATOM 1651 N THR A1130 52.084 30.481 36.067 1.00 98.74 N ATOM 1652 CA THR A1130 51.836 29.220 35.376 1.00102.18 C ATOM 1653 C THR A1130 53.046 28.801 34.544 1.00111.34 C ATOM 1654 O THR A1130 53.391 27.614 34.517 1.00109.83 O ATOM 1655 CB THR A1130 50.601 29.313 34.460 1.00116.83 C ATOM 1656 OG1 THR A1130 50.812 30.327 33.470 1.00119.54 O ATOM 1657 CG2 THR A1130 49.360 29.652 35.271 1.00113.67 C ATOM 1658 HG1 THR A1130 50.017 30.384 32.883 1.00 0.00 H ATOM 1659 H THR A1130 51.462 31.297 35.898 1.00 0.00 H ATOM 1660 N PRO A1131 53.708 29.811 33.856 1.00113.28 N ATOM 1661 CA PRO A1131 54.879 29.347 33.092 1.00114.21 C ATOM 1662 C PRO A1131 56.119 29.287 33.984 1.00119.38 C ATOM 1663 O PRO A1131 56.403 30.254 34.691 1.00118.55 O ATOM 1664 CB PRO A1131 55.046 30.422 32.024 1.00115.85 C ATOM 1665 CG PRO A1131 53.668 30.920 31.822 1.00120.02 C ATOM 1666 CD PRO A1131 53.045 30.916 33.190 1.00115.56 C ATOM 1667 N TRP A1132 56.837 28.169 33.946 1.00116.99 N ATOM 1668 CA TRP A1132 58.039 28.003 34.756 1.00159.09 C ATOM 1669 C TRP A1132 57.862 28.620 36.139 1.00163.35 C ATOM 1670 O TRP A1132 58.028 29.826 36.317 1.00118.30 O ATOM 1671 CB TRP A1132 59.248 28.624 34.054 1.00158.19 C ATOM 1672 CG TRP A1132 59.686 27.871 32.835 1.00159.41 C ATOM 1673 CD1 TRP A1132 60.551 26.816 32.790 1.00162.28 C ATOM 1674 CD2 TRP A1132 59.281 28.116 31.483 1.00159.33 C ATOM 1675 NE1 TRP A1132 60.709 26.389 31.493 1.00161.65 N ATOM 1676 CE2 TRP A1132 59.940 27.170 30.672 1.00163.15 C ATOM 1677 CE3 TRP A1132 58.425 29.042 30.879 1.00160.67 C ATOM 1678 CZ2 TRP A1132 59.769 27.124 29.290 1.00162.55 C ATOM 1679 CZ3 TRP A1132 58.257 28.995 29.507 1.00162.14 C ATOM 1680 CH2 TRP A1132 58.926 28.043 28.727 1.00162.80 C ATOM 1681 HE1 TRP A1132 61.314 25.601 31.185 1.00 0.00 H ATOM 1682 H TRP A1132 56.534 27.393 33.323 1.00 0.00 H TER 1683 TRP A1132 HETATM 1684 O HOH 1 31.587 45.559 25.217 1.00102.16 O HETATM 1685 O HOH 2 39.052 56.874 35.816 1.00 79.12 O HETATM 1686 O HOH 3 31.573 41.215 68.204 1.00102.53 O HETATM 1687 O HOH 4 49.332 44.579 33.787 1.00 86.87 O HETATM 1688 O HOH 5 42.828 26.365 54.477 1.00 60.89 O HETATM 1689 O HOH 6 56.683 33.938 49.060 1.00 83.03 O HETATM 1690 O HOH 7 30.290 25.523 45.313 1.00 62.75 O HETATM 1691 O HOH 8 45.773 28.132 38.602 1.00 58.50 O HETATM 1692 O HOH 9 39.129 29.116 38.760 1.00 62.69 O HETATM 1693 O HOH 10 34.946 41.392 67.555 1.00 88.95 O HETATM 1694 O HOH 11 28.627 18.005 51.664 1.00 68.03 O HETATM 1695 O HOH 12 39.463 23.091 61.228 1.00 81.62 O HETATM 1696 O HOH 13 48.017 35.087 50.979 1.00 62.96 O HETATM 1697 O HOH 14 32.423 44.190 55.753 1.00 73.43 O HETATM 1698 O HOH 15 23.149 27.410 48.191 1.00 85.47 O HETATM 1699 O HOH 16 24.422 24.952 46.636 1.00 77.54 O HETATM 1700 O HOH 17 43.863 32.944 60.489 1.00 70.39 O HETATM 1701 O HOH 18 31.496 27.407 43.488 1.00 64.40 O HETATM 1702 O HOH 19 30.630 44.316 22.347 1.00 87.07 O HETATM 1703 O HOH 20 36.093 46.557 22.674 1.00101.42 O HETATM 1704 O HOH 21 27.973 45.509 21.571 1.00 95.68 O HETATM 1705 C1 PIO A 22 42.962 27.850 33.197 1.00 0.15 C HETATM 1706 O1 PIO A 22 42.021 27.981 34.288 1.00 -0.25 O HETATM 1707 P1 PIO A 22 40.421 28.279 34.097 1.00 0.26 P HETATM 1708 O11 PIO A 22 40.491 29.807 34.096 1.00 -0.62 O HETATM 1709 O12 PIO A 22 39.880 27.624 32.883 1.00 -0.62 O HETATM 1710 O13 PIO A 22 39.488 28.170 35.441 1.00 -0.25 O HETATM 1711 C1C PIO A 22 38.040 28.039 35.373 1.00 0.12 C HETATM 1712 C2C PIO A 22 37.271 29.296 35.016 1.00 0.14 C HETATM 1713 O2C PIO A 22 35.937 29.192 35.623 1.00 -0.27 O HETATM 1714 C1A PIO A 22 35.237 30.306 35.940 1.00 0.23 C HETATM 1715 O1A PIO A 22 35.640 31.427 35.782 1.00 -0.37 O HETATM 1716 C2A PIO A 22 33.900 29.959 36.524 1.00 0.04 C HETATM 1717 H12 PIO A 22 33.357 30.883 36.771 1.00 0.05 H HETATM 1718 H13 PIO A 22 34.042 29.363 37.437 1.00 0.05 H HETATM 1719 H14 PIO A 22 33.320 29.377 35.792 1.00 0.05 H HETATM 1720 C3C PIO A 22 37.101 29.426 33.518 1.00 0.11 C HETATM 1721 O3C PIO A 22 36.891 30.800 33.107 1.00 -0.27 O HETATM 1722 C1B PIO A 22 37.371 31.197 31.914 1.00 0.23 C HETATM 1723 O1B PIO A 22 38.033 30.504 31.185 1.00 -0.37 O HETATM 1724 C2B PIO A 22 36.968 32.610 31.612 1.00 0.04 C HETATM 1725 H15 PIO A 22 37.374 32.906 30.633 1.00 0.05 H HETATM 1726 H16 PIO A 22 37.364 33.279 32.390 1.00 0.05 H HETATM 1727 H17 PIO A 22 35.871 32.682 31.591 1.00 0.05 H HETATM 1728 H19 PIO A 22 36.233 28.827 33.207 1.00 0.06 H HETATM 1729 H20 PIO A 22 38.006 29.043 33.024 1.00 0.06 H HETATM 1730 H18 PIO A 22 37.800 30.178 35.406 1.00 0.07 H HETATM 1731 H10 PIO A 22 37.687 27.698 36.357 1.00 0.07 H HETATM 1732 H11 PIO A 22 37.807 27.276 34.615 1.00 0.07 H HETATM 1733 C2 PIO A 22 44.292 27.312 33.722 1.00 0.12 C HETATM 1734 O2 PIO A 22 44.784 28.055 34.836 1.00 -0.39 O HETATM 1735 H3 PIO A 22 45.609 27.683 35.124 1.00 0.21 H HETATM 1736 C3 PIO A 22 45.326 27.239 32.603 1.00 0.12 C HETATM 1737 O3 PIO A 22 46.546 26.713 33.110 1.00 -0.39 O HETATM 1738 H5 PIO A 22 47.186 26.670 32.410 1.00 0.21 H HETATM 1739 C4 PIO A 22 45.562 28.621 32.001 1.00 0.15 C HETATM 1740 O4 PIO A 22 46.437 28.441 30.865 1.00 -0.27 O HETATM 1741 P4 PIO A 22 48.062 28.349 30.702 1.00 0.20 P HETATM 1742 O41 PIO A 22 48.521 29.807 30.753 1.00 -0.55 O HETATM 1743 O42 PIO A 22 48.819 27.480 31.640 1.00 -0.55 O HETATM 1744 O43 PIO A 22 48.145 27.876 29.247 1.00 -0.55 O HETATM 1745 C5 PIO A 22 44.276 29.287 31.526 1.00 0.15 C HETATM 1746 O5 PIO A 22 44.568 30.689 31.319 1.00 -0.27 O HETATM 1747 P5 PIO A 22 43.713 32.092 31.083 1.00 0.20 P HETATM 1748 O51 PIO A 22 42.382 31.745 30.400 1.00 -0.55 O HETATM 1749 O52 PIO A 22 43.427 32.467 32.542 1.00 -0.55 O HETATM 1750 O53 PIO A 22 44.447 33.179 30.370 1.00 -0.55 O HETATM 1751 C6 PIO A 22 43.119 29.219 32.528 1.00 0.12 C HETATM 1752 O6 PIO A 22 41.917 29.522 31.830 1.00 -0.39 O HETATM 1753 H9 PIO A 22 41.184 29.486 32.433 1.00 0.21 H HETATM 1754 H8 PIO A 22 43.290 29.971 33.312 1.00 0.07 H HETATM 1755 H7 PIO A 22 43.960 28.818 30.583 1.00 0.07 H HETATM 1756 H6 PIO A 22 46.043 29.267 32.751 1.00 0.07 H HETATM 1757 H4 PIO A 22 44.950 26.570 31.815 1.00 0.07 H HETATM 1758 H2 PIO A 22 44.112 26.285 34.072 1.00 0.07 H HETATM 1759 H1 PIO A 22 42.564 27.138 32.459 1.00 0.07 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1705 1706 1733 1751 1759 CONECT 1706 1705 1707 CONECT 1707 1706 1708 1709 1710 CONECT 1708 1707 CONECT 1709 1707 CONECT 1710 1707 1711 CONECT 1711 1710 1712 1731 1732 CONECT 1712 1711 1713 1720 1730 CONECT 1713 1712 1714 CONECT 1714 1713 1715 1716 CONECT 1715 1714 CONECT 1716 1714 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 CONECT 1720 1712 1721 1728 1729 CONECT 1721 1720 1722 CONECT 1722 1721 1723 1724 CONECT 1723 1722 CONECT 1724 1722 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1720 CONECT 1729 1720 CONECT 1730 1712 CONECT 1731 1711 CONECT 1732 1711 CONECT 1733 1705 1734 1736 1758 CONECT 1734 1733 1735 CONECT 1735 1734 CONECT 1736 1733 1737 1739 1757 CONECT 1737 1736 1738 CONECT 1738 1737 CONECT 1739 1736 1740 1745 1756 CONECT 1740 1739 1741 CONECT 1741 1740 1742 1743 1744 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1741 CONECT 1745 1739 1746 1751 1755 CONECT 1746 1745 1747 CONECT 1747 1746 1748 1749 1750 CONECT 1748 1747 CONECT 1749 1747 CONECT 1750 1747 CONECT 1751 1705 1745 1752 1754 CONECT 1752 1751 1753 CONECT 1753 1752 CONECT 1754 1751 CONECT 1755 1745 CONECT 1756 1739 CONECT 1757 1736 CONECT 1758 1733 CONECT 1759 1705 MASTER 0 0 0 0 0 0 0 0 1758 1 59 14 END
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Structure:
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Related entries of code: 5l0h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rke
RCSB PDB
PDBbind
185aa, >1RKE_2|Chain... at 100%
3h2u
RCSB PDB
PDBbind
188aa, >3H2U_1|Chains... *
3h2v
RCSB PDB
PDBbind
188aa, >3H2V_1|Chains... at 100%
5l0c
RCSB PDB
PDBbind
176aa, >5L0C_1|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5l0c
RCSB PDB
PDBbind
PIO
Entry Information
PDB ID
5l0h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human metavinculin (residues 959-1134), MVt mutant R975W
Ligand Name
PIO
EC.Number
E.C.-.-.-.-
Resolution
2.9(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. 9539-9544
Ligand Properties
Formula
C
1
3
H
2
8
O
1
9
P
3
Molecular Weight
581.271
Exact Mass
581.044
No. of atoms
63
No. of bonds
63
Polar Surface Area
352.82
LOGP Value
-7.02 (
Computed with XLOGP3
)
-4.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 1
Canonical SMILES
CC(=O)O[C@@H](COP(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(O)(O)O)OP(O)(O)O)(O)O)COC(=O)C
InChI String
InChI=1S/C13H31O19P3/c1-5(14)27-3-7(29-6(2)15)4-28-35(25,26)32-11-8(16)9(17)12(30-33(19,20)21)13(10(11)18)31-34(22,23)24/h7-13,16-26,33-35H,3-4H2,1-2H3/t7-,8-,9+,10+,11-,12-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P18206
Entrez Gene ID
NCBI Entrez Gene ID:
7414
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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