Browse entries in the PDBbind-CN Database
HEADER 3GXZ_COMPLEX COMPND 3GXZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 A 101 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 A 101 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 A 101 ILE GLU ASN VAL ASP GLY SER LEU LYS TRP GLN PRO SER SEQRES 5 A 101 ASN PHE ILE GLU THR CYS ARG ASN THR GLN LEU ALA GLY SEQRES 6 A 101 SER SER GLU LEU ALA ALA GLU CYS LYS THR ARG ALA GLN SEQRES 7 A 101 GLN PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE SEQRES 8 A 101 ALA ASN ILE ASP GLY THR LEU LYS TYR GLU SEQRES 1 B 101 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 B 101 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 B 101 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 B 101 ILE GLU ASN VAL ASP GLY SER LEU LYS TRP GLN PRO SER SEQRES 5 B 101 ASN PHE ILE GLU THR CYS ARG ASN THR GLN LEU ALA GLY SEQRES 6 B 101 SER SER GLU LEU ALA ALA GLU CYS LYS THR ARG ALA GLN SEQRES 7 B 101 GLN PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE SEQRES 8 B 101 ALA ASN ILE ASP GLY THR LEU LYS TYR GLU HET MG A 1 1 HET NON A 249 225 SSBOND 1 CYS A 8 CYS A 22 SSBOND 2 CYS A 58 CYS A 73 SSBOND 3 CYS B 8 CYS B 22 SSBOND 4 CYS B 58 CYS B 73 ATOM 1 N LEU A 1 22.805 53.766 122.727 1.00 63.42 N ATOM 2 CA LEU A 1 23.298 52.444 123.279 1.00 64.42 C ATOM 3 C LEU A 1 24.771 52.349 123.750 1.00 64.22 C ATOM 4 O LEU A 1 25.683 52.858 123.107 1.00 64.38 O ATOM 5 CB LEU A 1 23.056 51.317 122.273 1.00 64.65 C ATOM 6 CG LEU A 1 21.624 51.075 121.772 1.00 64.32 C ATOM 7 CD1 LEU A 1 21.635 49.918 120.801 1.00 62.45 C ATOM 8 CD2 LEU A 1 20.685 50.813 122.926 1.00 63.12 C ATOM 9 HN3 LEU A 1 23.371 54.025 121.893 1.00 0.00 H ATOM 10 HN2 LEU A 1 22.902 54.502 123.455 1.00 0.00 H ATOM 11 HN1 LEU A 1 21.805 53.675 122.455 1.00 0.00 H ATOM 12 N GLY A 2 24.997 51.664 124.864 1.00 64.39 N ATOM 13 CA GLY A 2 26.362 51.358 125.306 1.00 64.68 C ATOM 14 C GLY A 2 27.015 52.414 126.196 1.00 64.70 C ATOM 15 O GLY A 2 26.512 52.742 127.268 1.00 65.04 O ATOM 16 H GLY A 2 24.191 51.338 125.435 1.00 0.00 H ATOM 17 N LYS A 3 28.156 52.930 125.763 1.00 64.57 N ATOM 18 CA LYS A 3 28.822 54.020 126.480 1.00 64.54 C ATOM 19 C LYS A 3 29.177 53.683 127.931 1.00 63.94 C ATOM 20 O LYS A 3 29.041 54.526 128.833 1.00 63.68 O ATOM 21 CB LYS A 3 27.962 55.279 126.407 1.00 64.58 C ATOM 22 CG LYS A 3 27.639 55.692 124.987 1.00 65.49 C ATOM 23 CD LYS A 3 26.330 56.431 124.931 1.00 68.18 C ATOM 24 CE LYS A 3 25.712 56.382 123.530 1.00 70.63 C ATOM 25 NZ LYS A 3 24.215 56.177 123.614 1.00 70.44 N ATOM 26 HZ1 LYS A 3 24.016 55.280 124.102 1.00 0.00 H ATOM 27 HZ2 LYS A 3 23.788 56.964 124.144 1.00 0.00 H ATOM 28 HZ3 LYS A 3 23.816 56.147 122.654 1.00 0.00 H ATOM 29 H LYS A 3 28.588 52.553 124.895 1.00 0.00 H ATOM 30 N PHE A 4 29.635 52.452 128.153 1.00 63.37 N ATOM 31 CA PHE A 4 29.951 51.994 129.502 1.00 63.25 C ATOM 32 C PHE A 4 31.121 52.789 130.072 1.00 63.53 C ATOM 33 O PHE A 4 31.180 53.026 131.271 1.00 64.29 O ATOM 34 CB PHE A 4 30.306 50.516 129.513 1.00 62.78 C ATOM 35 CG PHE A 4 31.697 50.236 129.017 1.00 62.46 C ATOM 36 CD1 PHE A 4 31.948 50.061 127.659 1.00 60.92 C ATOM 37 CD2 PHE A 4 32.763 50.170 129.906 1.00 61.67 C ATOM 38 CE1 PHE A 4 33.227 49.812 127.199 1.00 60.81 C ATOM 39 CE2 PHE A 4 34.058 49.925 129.456 1.00 61.25 C ATOM 40 CZ PHE A 4 34.293 49.744 128.098 1.00 61.41 C ATOM 41 H PHE A 4 29.770 51.805 127.350 1.00 0.00 H ATOM 42 N SER A 5 32.045 53.221 129.223 1.00 63.23 N ATOM 43 CA SER A 5 33.258 53.840 129.717 1.00 62.97 C ATOM 44 C SER A 5 33.035 55.234 130.318 1.00 63.72 C ATOM 45 O SER A 5 33.957 55.843 130.865 1.00 63.52 O ATOM 46 CB SER A 5 34.291 53.901 128.606 1.00 62.67 C ATOM 47 OG SER A 5 34.012 54.953 127.714 1.00 61.18 O ATOM 48 HG SER A 5 33.119 54.814 127.310 1.00 0.00 H ATOM 49 H SER A 5 31.898 53.115 128.199 1.00 0.00 H ATOM 50 N GLN A 6 31.822 55.756 130.207 1.00 63.91 N ATOM 51 CA GLN A 6 31.560 57.095 130.735 1.00 64.18 C ATOM 52 C GLN A 6 31.416 57.030 132.237 1.00 63.79 C ATOM 53 O GLN A 6 31.557 58.045 132.919 1.00 63.74 O ATOM 54 CB GLN A 6 30.289 57.705 130.132 1.00 64.22 C ATOM 55 CG GLN A 6 30.498 58.439 128.814 1.00 65.04 C ATOM 56 CD GLN A 6 29.238 58.466 127.970 1.00 67.59 C ATOM 57 OE1 GLN A 6 28.125 58.562 128.489 1.00 68.46 O ATOM 58 NE2 GLN A 6 29.407 58.369 126.653 1.00 68.69 N ATOM 59 HE22 GLN A 6 30.365 58.290 126.256 1.00 0.00 H ATOM 60 HE21 GLN A 6 28.581 58.373 126.021 1.00 0.00 H ATOM 61 H GLN A 6 31.061 55.217 129.747 1.00 0.00 H ATOM 62 N THR A 7 31.150 55.829 132.737 1.00 62.99 N ATOM 63 CA THR A 7 30.749 55.643 134.119 1.00 62.55 C ATOM 64 C THR A 7 31.378 54.407 134.737 1.00 62.52 C ATOM 65 O THR A 7 30.877 53.886 135.731 1.00 62.61 O ATOM 66 CB THR A 7 29.227 55.488 134.217 1.00 62.68 C ATOM 67 OG1 THR A 7 28.802 54.394 133.391 1.00 62.99 O ATOM 68 CG2 THR A 7 28.542 56.743 133.748 1.00 61.44 C ATOM 69 HG1 THR A 7 29.056 54.574 132.451 1.00 0.00 H ATOM 70 H THR A 7 31.232 54.996 132.119 1.00 0.00 H ATOM 71 N CYS A 8 32.459 53.936 134.121 1.00 62.31 N ATOM 72 CA CYS A 8 33.200 52.777 134.566 1.00 61.90 C ATOM 73 C CYS A 8 34.671 53.104 134.465 1.00 61.49 C ATOM 74 O CYS A 8 35.058 53.983 133.721 1.00 61.14 O ATOM 75 CB CYS A 8 32.911 51.576 133.666 1.00 62.14 C ATOM 76 SG CYS A 8 31.179 51.133 133.584 1.00 62.59 S ATOM 77 H CYS A 8 32.791 54.431 133.269 1.00 0.00 H ATOM 78 N TYR A 9 35.504 52.370 135.189 1.00 61.39 N ATOM 79 CA TYR A 9 36.928 52.662 135.165 1.00 61.29 C ATOM 80 C TYR A 9 37.751 51.411 135.445 1.00 60.93 C ATOM 81 O TYR A 9 37.209 50.365 135.790 1.00 60.96 O ATOM 82 CB TYR A 9 37.262 53.776 136.167 1.00 61.32 C ATOM 83 CG TYR A 9 37.226 53.330 137.613 1.00 60.75 C ATOM 84 CD1 TYR A 9 36.053 53.424 138.371 1.00 60.13 C ATOM 85 CD2 TYR A 9 38.370 52.814 138.224 1.00 60.28 C ATOM 86 CE1 TYR A 9 36.032 53.010 139.699 1.00 60.06 C ATOM 87 CE2 TYR A 9 38.362 52.399 139.536 1.00 59.41 C ATOM 88 CZ TYR A 9 37.202 52.497 140.265 1.00 60.10 C ATOM 89 OH TYR A 9 37.232 52.101 141.560 1.00 58.42 O ATOM 90 HH TYR A 9 37.487 51.145 141.606 1.00 0.00 H ATOM 91 H TYR A 9 35.141 51.589 135.772 1.00 0.00 H ATOM 92 N ASN A 10 39.056 51.516 135.272 1.00 60.79 N ATOM 93 CA ASN A 10 39.902 50.365 135.476 1.00 61.63 C ATOM 94 C ASN A 10 39.317 49.184 134.723 1.00 61.65 C ATOM 95 O ASN A 10 38.798 48.232 135.331 1.00 62.11 O ATOM 96 CB ASN A 10 39.997 50.023 136.959 1.00 61.83 C ATOM 97 CG ASN A 10 41.113 49.059 137.254 1.00 63.20 C ATOM 98 OD1 ASN A 10 42.082 48.957 136.494 1.00 64.66 O ATOM 99 ND2 ASN A 10 40.998 48.348 138.359 1.00 62.57 N ATOM 100 HD22 ASN A 10 40.164 48.467 138.969 1.00 0.00 H ATOM 101 HD21 ASN A 10 41.741 47.669 138.620 1.00 0.00 H ATOM 102 H ASN A 10 39.473 52.426 134.989 1.00 0.00 H ATOM 103 N SER A 11 39.383 49.257 133.399 1.00 61.18 N ATOM 104 CA SER A 11 38.839 48.205 132.569 1.00 60.72 C ATOM 105 C SER A 11 39.969 47.364 132.031 1.00 60.26 C ATOM 106 O SER A 11 41.089 47.848 131.864 1.00 60.10 O ATOM 107 CB SER A 11 38.064 48.803 131.393 1.00 60.82 C ATOM 108 OG SER A 11 37.007 49.606 131.845 1.00 59.78 O ATOM 109 HG SER A 11 36.522 49.980 131.067 1.00 0.00 H ATOM 110 H SER A 11 39.832 50.082 132.953 1.00 0.00 H ATOM 111 N ALA A 12 39.671 46.112 131.724 1.00 59.86 N ATOM 112 CA ALA A 12 40.694 45.225 131.199 1.00 59.77 C ATOM 113 C ALA A 12 40.080 44.225 130.241 1.00 60.06 C ATOM 114 O ALA A 12 38.864 43.943 130.305 1.00 60.28 O ATOM 115 CB ALA A 12 41.401 44.498 132.337 1.00 59.38 C ATOM 116 H ALA A 12 38.701 45.762 131.859 1.00 0.00 H ATOM 117 N ILE A 13 40.918 43.677 129.365 1.00 59.76 N ATOM 118 CA ILE A 13 40.519 42.572 128.504 1.00 59.98 C ATOM 119 C ILE A 13 41.481 41.395 128.639 1.00 60.12 C ATOM 120 O ILE A 13 42.682 41.516 128.419 1.00 59.79 O ATOM 121 CB ILE A 13 40.399 43.038 127.027 1.00 60.52 C ATOM 122 CG1 ILE A 13 38.968 43.509 126.741 1.00 61.35 C ATOM 123 CG2 ILE A 13 40.819 41.959 126.045 1.00 59.90 C ATOM 124 CD1 ILE A 13 38.853 44.312 125.480 1.00 62.49 C ATOM 125 H ILE A 13 41.887 44.049 129.293 1.00 0.00 H ATOM 126 N GLN A 14 40.939 40.248 129.011 1.00 60.17 N ATOM 127 CA GLN A 14 41.738 39.055 129.121 1.00 60.14 C ATOM 128 C GLN A 14 41.136 37.955 128.254 1.00 59.66 C ATOM 129 O GLN A 14 40.109 37.376 128.604 1.00 59.59 O ATOM 130 CB GLN A 14 41.837 38.603 130.588 1.00 60.48 C ATOM 131 CG GLN A 14 43.044 37.683 130.855 1.00 62.93 C ATOM 132 CD GLN A 14 44.410 38.390 130.683 1.00 67.26 C ATOM 133 OE1 GLN A 14 45.199 38.474 131.635 1.00 69.75 O ATOM 134 NE2 GLN A 14 44.686 38.901 129.475 1.00 67.49 N ATOM 135 HE22 GLN A 14 43.997 38.809 128.702 1.00 0.00 H ATOM 136 HE21 GLN A 14 45.590 39.389 129.311 1.00 0.00 H ATOM 137 H GLN A 14 39.923 40.207 129.227 1.00 0.00 H ATOM 138 N GLY A 15 41.791 37.661 127.131 1.00 59.42 N ATOM 139 CA GLY A 15 41.235 36.759 126.140 1.00 59.11 C ATOM 140 C GLY A 15 40.095 37.490 125.457 1.00 59.58 C ATOM 141 O GLY A 15 40.297 38.512 124.784 1.00 59.30 O ATOM 142 H GLY A 15 42.724 38.089 126.961 1.00 0.00 H ATOM 143 N SER A 16 38.885 36.986 125.656 1.00 59.42 N ATOM 144 CA SER A 16 37.698 37.621 125.090 1.00 59.15 C ATOM 145 C SER A 16 36.808 38.253 126.169 1.00 58.63 C ATOM 146 O SER A 16 35.702 38.686 125.881 1.00 58.19 O ATOM 147 CB SER A 16 36.875 36.571 124.374 1.00 58.93 C ATOM 148 OG SER A 16 36.273 35.749 125.342 1.00 58.34 O ATOM 149 HG SER A 16 35.691 36.299 125.925 1.00 0.00 H ATOM 150 H SER A 16 38.779 36.122 126.226 1.00 0.00 H ATOM 151 N VAL A 17 37.299 38.291 127.402 1.00 58.02 N ATOM 152 CA VAL A 17 36.499 38.735 128.534 1.00 57.72 C ATOM 153 C VAL A 17 36.836 40.173 128.912 1.00 57.98 C ATOM 154 O VAL A 17 38.020 40.528 129.009 1.00 59.31 O ATOM 155 CB VAL A 17 36.766 37.870 129.772 1.00 57.49 C ATOM 156 CG1 VAL A 17 36.122 38.513 130.980 1.00 57.22 C ATOM 157 CG2 VAL A 17 36.269 36.441 129.554 1.00 55.92 C ATOM 158 H VAL A 17 38.283 37.995 127.564 1.00 0.00 H ATOM 159 N LEU A 18 35.817 40.992 129.130 1.00 57.01 N ATOM 160 CA LEU A 18 36.024 42.369 129.540 1.00 56.95 C ATOM 161 C LEU A 18 35.597 42.578 131.010 1.00 57.17 C ATOM 162 O LEU A 18 34.507 42.154 131.438 1.00 56.63 O ATOM 163 CB LEU A 18 35.261 43.326 128.625 1.00 56.59 C ATOM 164 CG LEU A 18 34.959 44.723 129.188 1.00 56.35 C ATOM 165 CD1 LEU A 18 36.036 45.782 128.836 1.00 54.55 C ATOM 166 CD2 LEU A 18 33.583 45.181 128.694 1.00 55.71 C ATOM 167 H LEU A 18 34.847 40.640 129.004 1.00 0.00 H ATOM 168 N THR A 19 36.465 43.243 131.768 1.00 57.17 N ATOM 169 CA THR A 19 36.235 43.503 133.173 1.00 57.02 C ATOM 170 C THR A 19 36.372 44.983 133.448 1.00 57.60 C ATOM 171 O THR A 19 37.244 45.636 132.899 1.00 57.69 O ATOM 172 CB THR A 19 37.250 42.767 134.024 1.00 56.72 C ATOM 173 OG1 THR A 19 37.161 41.366 133.753 1.00 54.82 O ATOM 174 CG2 THR A 19 36.973 43.019 135.471 1.00 56.11 C ATOM 175 HG1 THR A 19 37.823 40.881 134.307 1.00 0.00 H ATOM 176 H THR A 19 37.344 43.590 131.333 1.00 0.00 H ATOM 177 N SER A 20 35.508 45.505 134.305 1.00 58.80 N ATOM 178 CA SER A 20 35.486 46.932 134.617 1.00 60.19 C ATOM 179 C SER A 20 34.750 47.221 135.883 1.00 61.07 C ATOM 180 O SER A 20 33.946 46.424 136.373 1.00 61.07 O ATOM 181 CB SER A 20 34.818 47.766 133.528 1.00 60.07 C ATOM 182 OG SER A 20 35.732 48.703 133.005 1.00 61.92 O ATOM 183 HG SER A 20 36.508 48.225 132.618 1.00 0.00 H ATOM 184 H SER A 20 34.822 44.878 134.772 1.00 0.00 H ATOM 185 N THR A 21 35.027 48.393 136.418 1.00 62.30 N ATOM 186 CA THR A 21 34.385 48.764 137.636 1.00 63.54 C ATOM 187 C THR A 21 33.501 49.935 137.289 1.00 64.29 C ATOM 188 O THR A 21 33.975 50.937 136.748 1.00 63.90 O ATOM 189 CB THR A 21 35.410 49.092 138.729 1.00 63.74 C ATOM 190 OG1 THR A 21 36.416 48.062 138.746 1.00 64.02 O ATOM 191 CG2 THR A 21 34.721 49.157 140.081 1.00 62.44 C ATOM 192 HG1 THR A 21 35.990 47.189 138.936 1.00 0.00 H ATOM 193 H THR A 21 35.703 49.037 135.959 1.00 0.00 H ATOM 194 N CYS A 22 32.211 49.771 137.581 1.00 65.18 N ATOM 195 CA CYS A 22 31.184 50.684 137.104 1.00 66.22 C ATOM 196 C CYS A 22 30.375 51.259 138.234 1.00 67.38 C ATOM 197 O CYS A 22 30.183 50.615 139.246 1.00 67.08 O ATOM 198 CB CYS A 22 30.245 49.959 136.138 1.00 65.87 C ATOM 199 SG CYS A 22 31.081 49.423 134.663 1.00 62.44 S ATOM 200 H CYS A 22 31.929 48.962 138.170 1.00 0.00 H ATOM 201 N GLU A 23 29.903 52.481 138.041 1.00 69.29 N ATOM 202 CA GLU A 23 29.081 53.154 139.030 1.00 71.35 C ATOM 203 C GLU A 23 27.652 52.615 139.018 1.00 72.82 C ATOM 204 O GLU A 23 26.994 52.566 137.969 1.00 72.78 O ATOM 205 CB GLU A 23 29.054 54.659 138.761 1.00 71.18 C ATOM 206 CG GLU A 23 30.373 55.205 138.267 1.00 72.51 C ATOM 207 CD GLU A 23 30.299 56.671 137.879 1.00 73.67 C ATOM 208 OE1 GLU A 23 29.178 57.234 137.904 1.00 74.57 O ATOM 209 OE2 GLU A 23 31.361 57.255 137.543 1.00 73.16 O ATOM 210 H GLU A 23 30.128 52.974 137.153 1.00 0.00 H ATOM 211 N ARG A 24 27.192 52.189 140.192 1.00 74.63 N ATOM 212 CA ARG A 24 25.794 51.876 140.395 1.00 76.48 C ATOM 213 C ARG A 24 25.060 53.192 140.173 1.00 77.36 C ATOM 214 O ARG A 24 25.671 54.253 140.272 1.00 77.22 O ATOM 215 CB ARG A 24 25.579 51.321 141.807 1.00 76.60 C ATOM 216 CG ARG A 24 26.301 49.995 142.051 1.00 78.26 C ATOM 217 CD ARG A 24 25.775 49.297 143.288 1.00 81.29 C ATOM 218 NE ARG A 24 25.243 47.959 143.005 1.00 83.55 N ATOM 219 CZ ARG A 24 23.953 47.685 142.771 1.00 85.18 C ATOM 220 NH1 ARG A 24 23.035 48.648 142.760 1.00 86.91 N ATOM 221 NH2 ARG A 24 23.568 46.445 142.535 1.00 84.87 N ATOM 222 HE ARG A 24 25.916 47.166 142.985 1.00 0.00 H ATOM 223 HH12 ARG A 24 22.038 48.414 142.576 1.00 0.00 H ATOM 224 HH11 ARG A 24 23.314 49.634 142.935 1.00 0.00 H ATOM 225 HH22 ARG A 24 22.565 46.237 142.354 1.00 0.00 H ATOM 226 HH21 ARG A 24 24.267 45.675 142.530 1.00 0.00 H ATOM 227 H ARG A 24 27.856 52.078 140.985 1.00 0.00 H ATOM 228 N THR A 25 23.773 53.137 139.842 1.00 78.84 N ATOM 229 CA THR A 25 23.017 54.365 139.556 1.00 80.23 C ATOM 230 C THR A 25 23.300 55.489 140.564 1.00 80.97 C ATOM 231 O THR A 25 23.525 56.641 140.175 1.00 81.29 O ATOM 232 CB THR A 25 21.501 54.118 139.485 1.00 80.21 C ATOM 233 OG1 THR A 25 21.038 53.709 140.774 1.00 80.51 O ATOM 234 CG2 THR A 25 21.181 53.045 138.454 1.00 79.97 C ATOM 235 HG1 THR A 25 21.501 52.876 141.041 1.00 0.00 H ATOM 236 H THR A 25 23.296 52.215 139.785 1.00 0.00 H ATOM 237 N ASN A 26 23.278 55.156 141.855 1.00 81.56 N ATOM 238 CA ASN A 26 23.661 56.105 142.910 1.00 81.67 C ATOM 239 C ASN A 26 24.126 55.260 144.077 1.00 81.21 C ATOM 240 O ASN A 26 23.421 54.349 144.524 1.00 82.00 O ATOM 241 CB ASN A 26 22.481 56.989 143.282 1.00 81.65 C ATOM 242 CG ASN A 26 21.370 56.898 142.259 1.00 83.29 C ATOM 243 OD1 ASN A 26 21.035 57.873 141.581 1.00 85.20 O ATOM 244 ND2 ASN A 26 20.818 55.696 142.104 1.00 84.67 N ATOM 245 HD22 ASN A 26 21.130 54.900 142.697 1.00 0.00 H ATOM 246 HD21 ASN A 26 20.075 55.553 141.390 1.00 0.00 H ATOM 247 H ASN A 26 22.981 54.196 142.123 1.00 0.00 H ATOM 248 N GLY A 27 25.331 55.523 144.541 1.00 80.05 N ATOM 249 CA GLY A 27 25.943 54.629 145.487 1.00 79.31 C ATOM 250 C GLY A 27 27.352 54.279 145.052 1.00 78.54 C ATOM 251 O GLY A 27 28.110 55.141 144.596 1.00 78.40 O ATOM 252 H GLY A 27 25.838 56.374 144.224 1.00 0.00 H ATOM 253 N GLY A 28 27.701 53.003 145.181 1.00 77.73 N ATOM 254 CA GLY A 28 29.090 52.573 145.028 1.00 76.22 C ATOM 255 C GLY A 28 29.496 52.110 143.649 1.00 75.00 C ATOM 256 O GLY A 28 29.086 52.675 142.645 1.00 75.00 O ATOM 257 H GLY A 28 26.970 52.295 145.395 1.00 0.00 H ATOM 258 N TYR A 29 30.319 51.072 143.619 1.00 74.00 N ATOM 259 CA TYR A 29 30.823 50.502 142.384 1.00 72.61 C ATOM 260 C TYR A 29 30.607 49.003 142.416 1.00 72.01 C ATOM 261 O TYR A 29 30.427 48.411 143.473 1.00 72.22 O ATOM 262 CB TYR A 29 32.301 50.854 142.215 1.00 72.52 C ATOM 263 CG TYR A 29 32.479 52.338 142.020 1.00 72.36 C ATOM 264 CD1 TYR A 29 32.345 52.908 140.754 1.00 70.61 C ATOM 265 CD2 TYR A 29 32.720 53.177 143.099 1.00 71.39 C ATOM 266 CE1 TYR A 29 32.475 54.248 140.557 1.00 69.19 C ATOM 267 CE2 TYR A 29 32.851 54.535 142.911 1.00 71.29 C ATOM 268 CZ TYR A 29 32.727 55.058 141.632 1.00 70.86 C ATOM 269 OH TYR A 29 32.850 56.401 141.429 1.00 71.02 O ATOM 270 HH TYR A 29 32.735 56.600 140.466 1.00 0.00 H ATOM 271 H TYR A 29 30.617 50.647 144.520 1.00 0.00 H ATOM 272 N ASN A 30 30.568 48.388 141.248 1.00 70.96 N ATOM 273 CA ASN A 30 30.522 46.947 141.179 1.00 69.66 C ATOM 274 C ASN A 30 31.485 46.575 140.096 1.00 68.60 C ATOM 275 O ASN A 30 31.633 47.328 139.119 1.00 68.82 O ATOM 276 CB ASN A 30 29.126 46.466 140.845 1.00 69.57 C ATOM 277 CG ASN A 30 29.025 44.956 140.801 1.00 70.59 C ATOM 278 OD1 ASN A 30 28.339 44.409 139.946 1.00 73.22 O ATOM 279 ND2 ASN A 30 29.705 44.274 141.715 1.00 70.88 N ATOM 280 HD22 ASN A 30 30.275 44.779 142.423 1.00 0.00 H ATOM 281 HD21 ASN A 30 29.667 43.235 141.723 1.00 0.00 H ATOM 282 H ASN A 30 30.570 48.947 140.371 1.00 0.00 H ATOM 283 N THR A 31 32.181 45.462 140.291 1.00 66.81 N ATOM 284 CA THR A 31 33.119 44.991 139.288 1.00 65.90 C ATOM 285 C THR A 31 32.585 43.736 138.629 1.00 65.08 C ATOM 286 O THR A 31 32.468 42.683 139.261 1.00 64.88 O ATOM 287 CB THR A 31 34.553 44.791 139.840 1.00 65.93 C ATOM 288 OG1 THR A 31 35.237 46.040 139.769 1.00 66.37 O ATOM 289 CG2 THR A 31 35.335 43.779 139.009 1.00 64.35 C ATOM 290 HG1 THR A 31 35.274 46.342 138.827 1.00 0.00 H ATOM 291 H THR A 31 32.053 44.922 141.171 1.00 0.00 H ATOM 292 N SER A 32 32.228 43.873 137.356 1.00 63.45 N ATOM 293 CA SER A 32 31.658 42.768 136.634 1.00 61.82 C ATOM 294 C SER A 32 32.498 42.459 135.425 1.00 60.74 C ATOM 295 O SER A 32 33.419 43.216 135.050 1.00 60.09 O ATOM 296 CB SER A 32 30.217 43.054 136.219 1.00 61.59 C ATOM 297 OG SER A 32 30.154 44.248 135.466 1.00 62.74 O ATOM 298 HG SER A 32 30.489 45.001 136.015 1.00 0.00 H ATOM 299 H SER A 32 32.362 44.787 136.878 1.00 0.00 H ATOM 300 N SER A 33 32.192 41.316 134.831 1.00 59.18 N ATOM 301 CA SER A 33 32.862 40.932 133.629 1.00 58.49 C ATOM 302 C SER A 33 31.817 40.448 132.638 1.00 56.99 C ATOM 303 O SER A 33 30.715 40.050 133.016 1.00 56.96 O ATOM 304 CB SER A 33 33.905 39.857 133.927 1.00 58.47 C ATOM 305 OG SER A 33 33.223 38.685 134.322 1.00 59.67 O ATOM 306 HG SER A 33 32.685 38.874 135.131 1.00 0.00 H ATOM 307 H SER A 33 31.463 40.697 135.240 1.00 0.00 H ATOM 308 N ILE A 34 32.159 40.520 131.364 1.00 55.50 N ATOM 309 CA ILE A 34 31.261 40.067 130.325 1.00 54.41 C ATOM 310 C ILE A 34 32.093 39.364 129.263 1.00 54.47 C ATOM 311 O ILE A 34 33.119 39.891 128.833 1.00 53.93 O ATOM 312 CB ILE A 34 30.477 41.221 129.688 1.00 54.01 C ATOM 313 CG1 ILE A 34 29.151 40.686 129.082 1.00 51.75 C ATOM 314 CG2 ILE A 34 31.404 41.988 128.728 1.00 53.28 C ATOM 315 CD1 ILE A 34 28.751 41.274 127.749 1.00 46.73 C ATOM 316 H ILE A 34 33.088 40.908 131.104 1.00 0.00 H ATOM 317 N ASP A 35 31.681 38.159 128.882 1.00 54.32 N ATOM 318 CA ASP A 35 32.478 37.391 127.929 1.00 55.06 C ATOM 319 C ASP A 35 32.100 37.829 126.535 1.00 55.09 C ATOM 320 O ASP A 35 30.928 37.765 126.159 1.00 55.23 O ATOM 321 CB ASP A 35 32.235 35.889 128.072 1.00 55.12 C ATOM 322 CG ASP A 35 33.268 35.074 127.342 1.00 56.50 C ATOM 323 OD1 ASP A 35 33.342 33.849 127.575 1.00 57.50 O ATOM 324 OD2 ASP A 35 34.015 35.672 126.540 1.00 57.01 O ATOM 325 H ASP A 35 30.796 37.765 129.260 1.00 0.00 H ATOM 326 N LEU A 36 33.079 38.277 125.766 1.00 55.14 N ATOM 327 CA LEU A 36 32.782 38.874 124.479 1.00 54.97 C ATOM 328 C LEU A 36 32.726 37.843 123.355 1.00 55.29 C ATOM 329 O LEU A 36 32.495 38.216 122.190 1.00 56.13 O ATOM 330 CB LEU A 36 33.779 39.984 124.138 1.00 54.70 C ATOM 331 CG LEU A 36 33.912 41.252 125.002 1.00 53.37 C ATOM 332 CD1 LEU A 36 35.036 42.164 124.458 1.00 52.43 C ATOM 333 CD2 LEU A 36 32.632 42.039 125.058 1.00 50.68 C ATOM 334 H LEU A 36 34.066 38.201 126.086 1.00 0.00 H ATOM 335 N ASN A 37 32.894 36.558 123.680 1.00 54.92 N ATOM 336 CA ASN A 37 32.938 35.528 122.626 1.00 55.01 C ATOM 337 C ASN A 37 31.647 35.426 121.840 1.00 55.31 C ATOM 338 O ASN A 37 31.658 35.091 120.661 1.00 55.50 O ATOM 339 CB ASN A 37 33.279 34.139 123.173 1.00 55.22 C ATOM 340 CG ASN A 37 32.451 33.776 124.394 1.00 55.33 C ATOM 341 OD1 ASN A 37 32.185 34.633 125.232 1.00 55.86 O ATOM 342 ND2 ASN A 37 32.043 32.511 124.501 1.00 51.96 N ATOM 343 HD22 ASN A 37 32.293 31.820 123.765 1.00 0.00 H ATOM 344 HD21 ASN A 37 31.475 32.215 125.320 1.00 0.00 H ATOM 345 H ASN A 37 32.994 36.284 124.678 1.00 0.00 H ATOM 346 N SER A 38 30.525 35.690 122.496 1.00 55.04 N ATOM 347 CA SER A 38 29.257 35.540 121.839 1.00 54.68 C ATOM 348 C SER A 38 28.672 36.911 121.533 1.00 54.65 C ATOM 349 O SER A 38 27.473 37.038 121.250 1.00 54.20 O ATOM 350 CB SER A 38 28.314 34.774 122.747 1.00 55.12 C ATOM 351 OG SER A 38 28.333 35.357 124.035 1.00 55.46 O ATOM 352 HG SER A 38 27.718 34.859 124.630 1.00 0.00 H ATOM 353 H SER A 38 30.564 36.006 123.486 1.00 0.00 H ATOM 354 N VAL A 39 29.500 37.945 121.597 1.00 54.07 N ATOM 355 CA VAL A 39 28.964 39.287 121.409 1.00 54.21 C ATOM 356 C VAL A 39 29.437 39.951 120.123 1.00 54.30 C ATOM 357 O VAL A 39 28.769 40.829 119.579 1.00 54.42 O ATOM 358 CB VAL A 39 29.312 40.165 122.593 1.00 54.39 C ATOM 359 CG1 VAL A 39 29.437 41.630 122.168 1.00 53.88 C ATOM 360 CG2 VAL A 39 28.270 39.994 123.660 1.00 54.86 C ATOM 361 H VAL A 39 30.514 37.801 121.778 1.00 0.00 H ATOM 362 N ILE A 40 30.597 39.534 119.641 1.00 54.04 N ATOM 363 CA ILE A 40 31.105 40.031 118.385 1.00 53.91 C ATOM 364 C ILE A 40 31.612 38.850 117.566 1.00 54.17 C ATOM 365 O ILE A 40 31.739 37.723 118.053 1.00 54.16 O ATOM 366 CB ILE A 40 32.268 41.005 118.596 1.00 54.39 C ATOM 367 CG1 ILE A 40 33.500 40.237 119.083 1.00 55.29 C ATOM 368 CG2 ILE A 40 31.915 42.119 119.600 1.00 52.46 C ATOM 369 CD1 ILE A 40 34.522 41.158 119.783 1.00 56.25 C ATOM 370 H ILE A 40 31.152 38.836 120.177 1.00 0.00 H ATOM 371 N GLU A 41 31.891 39.092 116.301 1.00 54.05 N ATOM 372 CA GLU A 41 32.375 38.011 115.464 1.00 53.74 C ATOM 373 C GLU A 41 33.353 38.565 114.434 1.00 53.30 C ATOM 374 O GLU A 41 33.462 39.792 114.239 1.00 53.36 O ATOM 375 CB GLU A 41 31.211 37.310 114.777 1.00 53.25 C ATOM 376 CG GLU A 41 30.572 38.175 113.711 1.00 54.79 C ATOM 377 CD GLU A 41 29.370 37.524 113.053 1.00 56.85 C ATOM 378 OE1 GLU A 41 29.572 36.622 112.190 1.00 56.27 O ATOM 379 OE2 GLU A 41 28.226 37.930 113.394 1.00 57.30 O ATOM 380 H GLU A 41 31.766 40.047 115.908 1.00 0.00 H ATOM 381 N ASN A 42 34.070 37.654 113.791 1.00 52.73 N ATOM 382 CA ASN A 42 35.076 38.030 112.817 1.00 53.02 C ATOM 383 C ASN A 42 34.609 37.700 111.402 1.00 52.96 C ATOM 384 O ASN A 42 34.386 36.549 111.069 1.00 52.19 O ATOM 385 CB ASN A 42 36.417 37.343 113.106 1.00 52.98 C ATOM 386 CG ASN A 42 37.391 37.449 111.930 1.00 53.31 C ATOM 387 OD1 ASN A 42 37.453 38.474 111.243 1.00 53.24 O ATOM 388 ND2 ASN A 42 38.141 36.390 111.691 1.00 53.08 N ATOM 389 HD22 ASN A 42 38.057 35.547 112.294 1.00 0.00 H ATOM 390 HD21 ASN A 42 38.816 36.398 110.900 1.00 0.00 H ATOM 391 H ASN A 42 33.907 36.646 113.990 1.00 0.00 H ATOM 392 N VAL A 43 34.444 38.743 110.592 1.00 53.73 N ATOM 393 CA VAL A 43 34.013 38.625 109.195 1.00 54.14 C ATOM 394 C VAL A 43 35.147 39.049 108.261 1.00 54.30 C ATOM 395 O VAL A 43 35.450 40.247 108.137 1.00 54.51 O ATOM 396 CB VAL A 43 32.789 39.528 108.922 1.00 53.95 C ATOM 397 CG1 VAL A 43 32.833 40.056 107.528 1.00 53.40 C ATOM 398 CG2 VAL A 43 31.511 38.775 109.187 1.00 53.39 C ATOM 399 H VAL A 43 34.631 39.694 110.970 1.00 0.00 H ATOM 400 N ASP A 44 35.779 38.057 107.640 1.00 54.26 N ATOM 401 CA ASP A 44 36.901 38.275 106.725 1.00 55.22 C ATOM 402 C ASP A 44 37.977 39.176 107.318 1.00 54.97 C ATOM 403 O ASP A 44 38.548 39.996 106.615 1.00 55.26 O ATOM 404 CB ASP A 44 36.412 38.845 105.376 1.00 55.71 C ATOM 405 CG ASP A 44 37.491 38.788 104.298 1.00 57.07 C ATOM 406 OD1 ASP A 44 38.329 37.873 104.394 1.00 57.17 O ATOM 407 OD2 ASP A 44 37.506 39.646 103.375 1.00 57.41 O ATOM 408 H ASP A 44 35.462 37.082 107.812 1.00 0.00 H ATOM 409 N GLY A 45 38.244 39.033 108.614 1.00 54.86 N ATOM 410 CA GLY A 45 39.262 39.839 109.269 1.00 54.42 C ATOM 411 C GLY A 45 38.759 41.067 110.014 1.00 54.78 C ATOM 412 O GLY A 45 39.531 41.728 110.696 1.00 55.72 O ATOM 413 H GLY A 45 37.714 38.331 109.169 1.00 0.00 H ATOM 414 N SER A 46 37.483 41.410 109.894 1.00 54.56 N ATOM 415 CA SER A 46 36.986 42.609 110.554 1.00 54.31 C ATOM 416 C SER A 46 36.024 42.212 111.635 1.00 54.70 C ATOM 417 O SER A 46 35.217 41.300 111.455 1.00 55.69 O ATOM 418 CB SER A 46 36.280 43.525 109.566 1.00 54.07 C ATOM 419 OG SER A 46 37.231 44.089 108.673 1.00 55.37 O ATOM 420 HG SER A 46 36.767 44.684 108.032 1.00 0.00 H ATOM 421 H SER A 46 36.838 40.822 109.328 1.00 0.00 H ATOM 422 N LEU A 47 36.112 42.888 112.765 1.00 54.16 N ATOM 423 CA LEU A 47 35.227 42.605 113.880 1.00 54.19 C ATOM 424 C LEU A 47 33.914 43.340 113.712 1.00 53.82 C ATOM 425 O LEU A 47 33.894 44.512 113.294 1.00 53.55 O ATOM 426 CB LEU A 47 35.880 43.047 115.203 1.00 54.04 C ATOM 427 CG LEU A 47 37.106 42.242 115.663 1.00 55.35 C ATOM 428 CD1 LEU A 47 37.782 42.866 116.938 1.00 54.41 C ATOM 429 CD2 LEU A 47 36.734 40.747 115.874 1.00 53.61 C ATOM 430 H LEU A 47 36.828 43.637 112.858 1.00 0.00 H ATOM 431 N LYS A 48 32.820 42.668 114.055 1.00 53.52 N ATOM 432 CA LYS A 48 31.540 43.332 114.089 1.00 53.69 C ATOM 433 C LYS A 48 30.716 42.763 115.226 1.00 53.80 C ATOM 434 O LYS A 48 31.055 41.740 115.786 1.00 54.92 O ATOM 435 CB LYS A 48 30.800 43.117 112.775 1.00 54.02 C ATOM 436 CG LYS A 48 30.621 41.654 112.449 1.00 54.31 C ATOM 437 CD LYS A 48 29.661 41.419 111.314 1.00 55.44 C ATOM 438 CE LYS A 48 28.250 41.755 111.722 1.00 57.01 C ATOM 439 NZ LYS A 48 27.353 40.692 111.200 1.00 58.92 N ATOM 440 HZ1 LYS A 48 27.428 40.655 110.163 1.00 0.00 H ATOM 441 HZ2 LYS A 48 27.634 39.775 111.602 1.00 0.00 H ATOM 442 HZ3 LYS A 48 26.372 40.904 111.471 1.00 0.00 H ATOM 443 H LYS A 48 32.887 41.659 114.300 1.00 0.00 H ATOM 444 N TRP A 49 29.625 43.438 115.535 1.00 53.28 N ATOM 445 CA TRP A 49 28.733 43.056 116.561 1.00 53.79 C ATOM 446 C TRP A 49 27.824 41.952 116.031 1.00 54.54 C ATOM 447 O TRP A 49 27.303 42.030 114.919 1.00 54.64 O ATOM 448 CB TRP A 49 27.889 44.270 116.984 1.00 53.37 C ATOM 449 CG TRP A 49 28.688 45.405 117.611 1.00 53.87 C ATOM 450 CD1 TRP A 49 29.028 46.592 117.022 1.00 52.99 C ATOM 451 CD2 TRP A 49 29.244 45.450 118.941 1.00 52.89 C ATOM 452 NE1 TRP A 49 29.743 47.374 117.895 1.00 53.41 N ATOM 453 CE2 TRP A 49 29.903 46.697 119.076 1.00 52.80 C ATOM 454 CE3 TRP A 49 29.243 44.566 120.024 1.00 50.26 C ATOM 455 CZ2 TRP A 49 30.547 47.083 120.254 1.00 50.96 C ATOM 456 CZ3 TRP A 49 29.886 44.949 121.191 1.00 50.14 C ATOM 457 CH2 TRP A 49 30.530 46.194 121.297 1.00 50.29 C ATOM 458 HE1 TRP A 49 30.105 48.328 117.693 1.00 0.00 H ATOM 459 H TRP A 49 29.410 44.299 114.993 1.00 0.00 H ATOM 460 N GLN A 50 27.622 40.931 116.841 1.00 54.65 N ATOM 461 CA GLN A 50 26.766 39.848 116.457 1.00 55.68 C ATOM 462 C GLN A 50 25.331 40.120 116.936 1.00 56.07 C ATOM 463 O GLN A 50 25.061 40.151 118.128 1.00 57.08 O ATOM 464 CB GLN A 50 27.313 38.536 117.033 1.00 55.05 C ATOM 465 CG GLN A 50 27.052 37.358 116.124 1.00 57.49 C ATOM 466 CD GLN A 50 27.263 36.014 116.806 1.00 59.49 C ATOM 467 OE1 GLN A 50 27.247 35.916 118.033 1.00 59.61 O ATOM 468 NE2 GLN A 50 27.468 34.967 116.004 1.00 59.54 N ATOM 469 HE22 GLN A 50 27.473 35.096 114.972 1.00 0.00 H ATOM 470 HE21 GLN A 50 27.622 34.023 116.411 1.00 0.00 H ATOM 471 H GLN A 50 28.090 40.912 117.770 1.00 0.00 H ATOM 472 N PRO A 51 24.391 40.315 116.007 1.00 56.48 N ATOM 473 CA PRO A 51 23.046 40.550 116.477 1.00 56.04 C ATOM 474 C PRO A 51 22.444 39.237 116.947 1.00 56.26 C ATOM 475 O PRO A 51 23.032 38.183 116.725 1.00 56.52 O ATOM 476 CB PRO A 51 22.341 41.048 115.222 1.00 55.94 C ATOM 477 CG PRO A 51 23.044 40.355 114.091 1.00 55.24 C ATOM 478 CD PRO A 51 24.471 40.265 114.527 1.00 56.72 C ATOM 479 N SER A 52 21.309 39.287 117.626 1.00 56.56 N ATOM 480 CA SER A 52 20.570 38.061 117.901 1.00 57.09 C ATOM 481 C SER A 52 19.111 38.391 118.037 1.00 56.91 C ATOM 482 O SER A 52 18.745 39.533 117.914 1.00 57.48 O ATOM 483 CB SER A 52 21.080 37.362 119.147 1.00 57.73 C ATOM 484 OG SER A 52 20.367 36.144 119.372 1.00 59.58 O ATOM 485 HG SER A 52 20.715 35.705 120.188 1.00 0.00 H ATOM 486 H SER A 52 20.944 40.201 117.963 1.00 0.00 H ATOM 487 N ASN A 53 18.260 37.403 118.255 1.00 57.41 N ATOM 488 CA ASN A 53 16.828 37.674 118.233 1.00 57.48 C ATOM 489 C ASN A 53 16.044 37.028 119.372 1.00 57.61 C ATOM 490 O ASN A 53 14.815 37.102 119.425 1.00 58.24 O ATOM 491 CB ASN A 53 16.236 37.287 116.874 1.00 57.26 C ATOM 492 CG ASN A 53 16.249 35.774 116.627 1.00 58.04 C ATOM 493 OD1 ASN A 53 16.905 34.999 117.343 1.00 56.58 O ATOM 494 ND2 ASN A 53 15.523 35.352 115.599 1.00 57.31 N ATOM 495 HD22 ASN A 53 14.988 36.035 115.025 1.00 0.00 H ATOM 496 HD21 ASN A 53 15.489 34.339 115.368 1.00 0.00 H ATOM 497 H ASN A 53 18.609 36.441 118.441 1.00 0.00 H ATOM 498 N PHE A 54 16.757 36.395 120.291 1.00 58.04 N ATOM 499 CA PHE A 54 16.122 35.667 121.385 1.00 58.15 C ATOM 500 C PHE A 54 15.242 36.592 122.214 1.00 58.67 C ATOM 501 O PHE A 54 14.137 36.231 122.609 1.00 58.86 O ATOM 502 CB PHE A 54 17.217 35.043 122.252 1.00 57.94 C ATOM 503 CG PHE A 54 16.712 34.297 123.470 1.00 56.28 C ATOM 504 CD1 PHE A 54 15.649 33.412 123.380 1.00 55.35 C ATOM 505 CD2 PHE A 54 17.361 34.436 124.692 1.00 53.75 C ATOM 506 CE1 PHE A 54 15.225 32.712 124.496 1.00 55.68 C ATOM 507 CE2 PHE A 54 16.942 33.743 125.798 1.00 52.92 C ATOM 508 CZ PHE A 54 15.877 32.877 125.708 1.00 53.44 C ATOM 509 H PHE A 54 17.795 36.417 120.232 1.00 0.00 H ATOM 510 N ILE A 55 15.753 37.785 122.480 1.00 59.36 N ATOM 511 CA ILE A 55 15.079 38.759 123.333 1.00 60.06 C ATOM 512 C ILE A 55 13.872 39.342 122.603 1.00 60.63 C ATOM 513 O ILE A 55 12.814 39.558 123.197 1.00 60.38 O ATOM 514 CB ILE A 55 16.072 39.894 123.752 1.00 59.97 C ATOM 515 CG1 ILE A 55 17.183 39.343 124.646 1.00 60.33 C ATOM 516 CG2 ILE A 55 15.372 41.041 124.425 1.00 59.92 C ATOM 517 CD1 ILE A 55 16.811 39.140 126.107 1.00 59.80 C ATOM 518 H ILE A 55 16.672 38.038 122.064 1.00 0.00 H ATOM 519 N GLU A 56 14.025 39.573 121.301 1.00 61.38 N ATOM 520 CA GLU A 56 12.970 40.249 120.541 1.00 61.99 C ATOM 521 C GLU A 56 11.934 39.330 119.913 1.00 61.15 C ATOM 522 O GLU A 56 10.932 39.823 119.407 1.00 61.25 O ATOM 523 CB GLU A 56 13.551 41.212 119.500 1.00 62.31 C ATOM 524 CG GLU A 56 14.522 42.211 120.100 1.00 66.00 C ATOM 525 CD GLU A 56 15.895 42.160 119.439 1.00 72.48 C ATOM 526 OE1 GLU A 56 16.876 41.699 120.079 1.00 74.42 O ATOM 527 OE2 GLU A 56 16.000 42.560 118.262 1.00 75.93 O ATOM 528 H GLU A 56 14.897 39.272 120.821 1.00 0.00 H ATOM 529 N THR A 57 12.125 38.014 119.969 1.00 60.77 N ATOM 530 CA THR A 57 11.145 37.108 119.324 1.00 60.18 C ATOM 531 C THR A 57 10.769 35.858 120.105 1.00 60.88 C ATOM 532 O THR A 57 10.066 34.991 119.575 1.00 60.97 O ATOM 533 CB THR A 57 11.618 36.615 117.947 1.00 60.07 C ATOM 534 OG1 THR A 57 12.777 35.788 118.122 1.00 58.19 O ATOM 535 CG2 THR A 57 11.916 37.794 117.004 1.00 58.62 C ATOM 536 HG1 THR A 57 13.495 36.315 118.554 1.00 0.00 H ATOM 537 H THR A 57 12.955 37.625 120.461 1.00 0.00 H ATOM 538 N CYS A 58 11.242 35.739 121.341 1.00 61.43 N ATOM 539 CA CYS A 58 10.739 34.702 122.233 1.00 62.08 C ATOM 540 C CYS A 58 10.220 35.370 123.487 1.00 62.66 C ATOM 541 O CYS A 58 10.459 36.549 123.705 1.00 63.65 O ATOM 542 CB CYS A 58 11.824 33.675 122.561 1.00 62.17 C ATOM 543 SG CYS A 58 12.503 32.859 121.087 1.00 61.54 S ATOM 544 H CYS A 58 11.979 36.393 121.675 1.00 0.00 H ATOM 545 N ARG A 59 9.491 34.635 124.309 1.00 63.03 N ATOM 546 CA ARG A 59 8.864 35.235 125.473 1.00 63.18 C ATOM 547 C ARG A 59 8.708 34.200 126.582 1.00 63.58 C ATOM 548 O ARG A 59 8.848 33.003 126.340 1.00 63.62 O ATOM 549 CB ARG A 59 7.485 35.709 125.094 1.00 63.32 C ATOM 550 CG ARG A 59 6.496 34.563 125.099 1.00 62.66 C ATOM 551 CD ARG A 59 5.194 34.957 124.490 1.00 59.86 C ATOM 552 NE ARG A 59 4.397 33.781 124.200 1.00 59.43 N ATOM 553 CZ ARG A 59 3.222 33.804 123.573 1.00 58.66 C ATOM 554 NH1 ARG A 59 2.672 34.938 123.148 1.00 57.01 N ATOM 555 NH2 ARG A 59 2.605 32.661 123.358 1.00 60.26 N ATOM 556 HE ARG A 59 4.768 32.857 124.502 1.00 0.00 H ATOM 557 HH12 ARG A 59 1.753 34.920 122.662 1.00 0.00 H ATOM 558 HH11 ARG A 59 3.161 35.843 123.302 1.00 0.00 H ATOM 559 HH22 ARG A 59 1.686 32.650 122.871 1.00 0.00 H ATOM 560 HH21 ARG A 59 3.036 31.769 123.675 1.00 0.00 H ATOM 561 H ARG A 59 9.366 33.620 124.121 1.00 0.00 H ATOM 562 N ASN A 60 8.412 34.685 127.787 1.00 63.74 N ATOM 563 CA ASN A 60 8.120 33.847 128.966 1.00 63.85 C ATOM 564 C ASN A 60 9.000 32.647 129.150 1.00 63.71 C ATOM 565 O ASN A 60 8.504 31.525 129.136 1.00 63.31 O ATOM 566 CB ASN A 60 6.666 33.389 128.955 1.00 63.93 C ATOM 567 CG ASN A 60 5.721 34.520 128.623 1.00 65.00 C ATOM 568 OD1 ASN A 60 5.966 35.681 128.980 1.00 64.88 O ATOM 569 ND2 ASN A 60 4.642 34.200 127.923 1.00 66.81 N ATOM 570 HD22 ASN A 60 4.477 33.212 127.645 1.00 0.00 H ATOM 571 HD21 ASN A 60 3.961 34.937 127.652 1.00 0.00 H ATOM 572 H ASN A 60 8.385 35.718 127.904 1.00 0.00 H ATOM 573 N THR A 61 10.292 32.893 129.348 1.00 64.16 N ATOM 574 CA THR A 61 11.272 31.831 129.539 1.00 65.07 C ATOM 575 C THR A 61 11.130 31.176 130.900 1.00 65.54 C ATOM 576 O THR A 61 10.599 31.790 131.822 1.00 65.90 O ATOM 577 CB THR A 61 12.713 32.379 129.438 1.00 65.12 C ATOM 578 OG1 THR A 61 12.886 33.430 130.390 1.00 66.18 O ATOM 579 CG2 THR A 61 12.998 32.925 128.047 1.00 64.83 C ATOM 580 HG1 THR A 61 13.809 33.782 130.327 1.00 0.00 H ATOM 581 H THR A 61 10.616 33.881 129.367 1.00 0.00 H ATOM 582 N GLN A 62 11.627 29.942 131.019 1.00 65.98 N ATOM 583 CA GLN A 62 11.569 29.178 132.263 1.00 66.27 C ATOM 584 C GLN A 62 12.649 28.108 132.364 1.00 66.38 C ATOM 585 O GLN A 62 13.012 27.469 131.373 1.00 66.40 O ATOM 586 CB GLN A 62 10.239 28.467 132.390 1.00 66.55 C ATOM 587 CG GLN A 62 9.038 29.365 132.271 1.00 68.43 C ATOM 588 CD GLN A 62 7.806 28.679 132.816 1.00 70.88 C ATOM 589 OE1 GLN A 62 7.926 27.741 133.600 1.00 70.39 O ATOM 590 NE2 GLN A 62 6.616 29.133 132.403 1.00 72.05 N ATOM 591 HE22 GLN A 62 6.566 29.931 131.738 1.00 0.00 H ATOM 592 HE21 GLN A 62 5.742 28.688 132.747 1.00 0.00 H ATOM 593 H GLN A 62 12.076 29.505 130.189 1.00 0.00 H ATOM 594 N LEU A 63 13.132 27.898 133.583 1.00 66.18 N ATOM 595 CA LEU A 63 14.037 26.804 133.881 1.00 66.34 C ATOM 596 C LEU A 63 13.252 25.502 134.095 1.00 66.62 C ATOM 597 O LEU A 63 12.247 25.478 134.801 1.00 66.77 O ATOM 598 CB LEU A 63 14.831 27.157 135.121 1.00 65.96 C ATOM 599 CG LEU A 63 15.975 26.252 135.526 1.00 67.08 C ATOM 600 CD1 LEU A 63 16.929 26.021 134.375 1.00 67.19 C ATOM 601 CD2 LEU A 63 16.689 26.924 136.680 1.00 69.33 C ATOM 602 H LEU A 63 12.852 28.541 134.351 1.00 0.00 H ATOM 603 N ALA A 64 13.693 24.417 133.467 1.00 67.11 N ATOM 604 CA ALA A 64 13.022 23.119 133.632 1.00 67.27 C ATOM 605 C ALA A 64 13.997 22.108 134.197 1.00 67.27 C ATOM 606 O ALA A 64 14.831 21.548 133.469 1.00 68.12 O ATOM 607 CB ALA A 64 12.462 22.616 132.298 1.00 67.45 C ATOM 608 H ALA A 64 14.526 24.487 132.849 1.00 0.00 H ATOM 609 N GLY A 65 13.914 21.881 135.496 1.00 66.86 N ATOM 610 CA GLY A 65 14.794 20.916 136.121 1.00 66.60 C ATOM 611 C GLY A 65 16.222 21.418 136.103 1.00 66.69 C ATOM 612 O GLY A 65 16.471 22.634 136.089 1.00 66.31 O ATOM 613 H GLY A 65 13.216 22.396 136.070 1.00 0.00 H ATOM 614 N SER A 66 17.165 20.484 136.094 1.00 66.72 N ATOM 615 CA SER A 66 18.568 20.853 136.179 1.00 67.39 C ATOM 616 C SER A 66 18.920 21.931 135.145 1.00 67.09 C ATOM 617 O SER A 66 19.224 23.069 135.509 1.00 66.67 O ATOM 618 CB SER A 66 19.479 19.629 135.983 1.00 67.71 C ATOM 619 OG SER A 66 18.732 18.414 136.047 1.00 70.25 O ATOM 620 HG SER A 66 19.343 17.645 135.918 1.00 0.00 H ATOM 621 H SER A 66 16.898 19.481 136.026 1.00 0.00 H ATOM 622 N SER A 67 18.856 21.571 133.859 1.00 66.96 N ATOM 623 CA SER A 67 19.550 22.337 132.822 1.00 66.73 C ATOM 624 C SER A 67 18.723 22.785 131.618 1.00 66.81 C ATOM 625 O SER A 67 19.246 23.410 130.699 1.00 67.10 O ATOM 626 CB SER A 67 20.734 21.525 132.334 1.00 66.17 C ATOM 627 OG SER A 67 20.321 20.187 132.182 1.00 66.06 O ATOM 628 HG SER A 67 21.083 19.642 131.863 1.00 0.00 H ATOM 629 H SER A 67 18.303 20.732 133.590 1.00 0.00 H ATOM 630 N GLU A 68 17.439 22.473 131.618 1.00 67.02 N ATOM 631 CA GLU A 68 16.629 22.659 130.429 1.00 66.99 C ATOM 632 C GLU A 68 15.979 24.034 130.421 1.00 66.26 C ATOM 633 O GLU A 68 15.247 24.379 131.344 1.00 66.76 O ATOM 634 CB GLU A 68 15.580 21.553 130.412 1.00 67.57 C ATOM 635 CG GLU A 68 14.390 21.735 129.516 1.00 69.97 C ATOM 636 CD GLU A 68 13.912 20.387 129.021 1.00 75.07 C ATOM 637 OE1 GLU A 68 14.661 19.785 128.224 1.00 76.57 O ATOM 638 OE2 GLU A 68 12.823 19.910 129.438 1.00 77.18 O ATOM 639 H GLU A 68 17.004 22.089 132.481 1.00 0.00 H ATOM 640 N LEU A 69 16.249 24.824 129.389 1.00 65.48 N ATOM 641 CA LEU A 69 15.618 26.140 129.250 1.00 64.67 C ATOM 642 C LEU A 69 14.402 26.025 128.343 1.00 64.31 C ATOM 643 O LEU A 69 14.473 25.416 127.285 1.00 64.98 O ATOM 644 CB LEU A 69 16.605 27.172 128.689 1.00 64.28 C ATOM 645 CG LEU A 69 15.983 28.379 127.961 1.00 63.95 C ATOM 646 CD1 LEU A 69 15.020 29.145 128.847 1.00 62.15 C ATOM 647 CD2 LEU A 69 17.058 29.325 127.390 1.00 61.62 C ATOM 648 H LEU A 69 16.922 24.503 128.664 1.00 0.00 H ATOM 649 N ALA A 70 13.282 26.588 128.767 1.00 63.67 N ATOM 650 CA ALA A 70 12.057 26.508 127.994 1.00 63.10 C ATOM 651 C ALA A 70 11.537 27.913 127.767 1.00 62.76 C ATOM 652 O ALA A 70 11.788 28.803 128.577 1.00 62.56 O ATOM 653 CB ALA A 70 11.003 25.657 128.714 1.00 62.66 C ATOM 654 H ALA A 70 13.280 27.098 129.673 1.00 0.00 H ATOM 655 N ALA A 71 10.815 28.102 126.661 1.00 62.69 N ATOM 656 CA ALA A 71 10.274 29.403 126.294 1.00 62.66 C ATOM 657 C ALA A 71 9.195 29.237 125.249 1.00 62.66 C ATOM 658 O ALA A 71 8.892 28.115 124.831 1.00 63.09 O ATOM 659 CB ALA A 71 11.374 30.301 125.765 1.00 62.31 C ATOM 660 H ALA A 71 10.632 27.290 126.038 1.00 0.00 H ATOM 661 N GLU A 72 8.622 30.355 124.819 1.00 62.61 N ATOM 662 CA GLU A 72 7.775 30.360 123.634 1.00 63.05 C ATOM 663 C GLU A 72 8.344 31.291 122.577 1.00 62.75 C ATOM 664 O GLU A 72 8.565 32.470 122.836 1.00 62.56 O ATOM 665 CB GLU A 72 6.360 30.792 123.979 1.00 63.61 C ATOM 666 CG GLU A 72 5.636 29.840 124.891 1.00 64.89 C ATOM 667 CD GLU A 72 4.307 30.395 125.281 1.00 66.84 C ATOM 668 OE1 GLU A 72 4.290 31.346 126.105 1.00 67.27 O ATOM 669 OE2 GLU A 72 3.295 29.905 124.723 1.00 67.58 O ATOM 670 H GLU A 72 8.781 31.243 125.337 1.00 0.00 H ATOM 671 N CYS A 73 8.579 30.754 121.381 1.00 62.56 N ATOM 672 CA CYS A 73 9.295 31.498 120.360 1.00 61.83 C ATOM 673 C CYS A 73 8.446 31.610 119.117 1.00 61.91 C ATOM 674 O CYS A 73 7.593 30.751 118.842 1.00 62.00 O ATOM 675 CB CYS A 73 10.602 30.790 120.017 1.00 62.04 C ATOM 676 SG CYS A 73 11.881 30.930 121.251 1.00 61.52 S ATOM 677 H CYS A 73 8.246 29.790 121.176 1.00 0.00 H ATOM 678 N LYS A 74 8.694 32.667 118.356 1.00 61.66 N ATOM 679 CA LYS A 74 7.918 32.941 117.161 1.00 61.87 C ATOM 680 C LYS A 74 8.471 32.217 115.933 1.00 61.75 C ATOM 681 O LYS A 74 9.686 32.177 115.730 1.00 62.12 O ATOM 682 CB LYS A 74 7.877 34.444 116.912 1.00 61.51 C ATOM 683 CG LYS A 74 6.918 34.795 115.836 1.00 62.64 C ATOM 684 CD LYS A 74 6.328 36.181 116.022 1.00 63.81 C ATOM 685 CE LYS A 74 7.297 37.236 115.551 1.00 64.99 C ATOM 686 NZ LYS A 74 6.578 38.517 115.564 1.00 67.46 N ATOM 687 HZ1 LYS A 74 5.758 38.460 114.927 1.00 0.00 H ATOM 688 HZ2 LYS A 74 6.253 38.721 116.531 1.00 0.00 H ATOM 689 HZ3 LYS A 74 7.215 39.274 115.244 1.00 0.00 H ATOM 690 H LYS A 74 9.463 33.315 118.622 1.00 0.00 H ATOM 691 N THR A 75 7.579 31.650 115.119 1.00 61.84 N ATOM 692 CA THR A 75 7.959 30.905 113.910 1.00 61.57 C ATOM 693 C THR A 75 7.949 31.767 112.652 1.00 61.73 C ATOM 694 O THR A 75 7.497 32.907 112.672 1.00 61.57 O ATOM 695 CB THR A 75 7.016 29.727 113.648 1.00 61.54 C ATOM 696 OG1 THR A 75 5.712 30.227 113.329 1.00 62.01 O ATOM 697 CG2 THR A 75 6.932 28.830 114.859 1.00 60.97 C ATOM 698 HG1 THR A 75 5.766 30.795 112.520 1.00 0.00 H ATOM 699 H THR A 75 6.569 31.739 115.350 1.00 0.00 H ATOM 700 N ARG A 76 8.443 31.207 111.554 1.00 62.37 N ATOM 701 CA ARG A 76 8.465 31.907 110.276 1.00 62.97 C ATOM 702 C ARG A 76 7.056 32.323 109.840 1.00 63.66 C ATOM 703 O ARG A 76 6.881 33.413 109.332 1.00 63.54 O ATOM 704 CB ARG A 76 9.081 31.027 109.207 1.00 62.83 C ATOM 705 CG ARG A 76 10.477 30.520 109.523 1.00 62.95 C ATOM 706 CD ARG A 76 11.169 30.070 108.230 1.00 60.53 C ATOM 707 NE ARG A 76 12.602 30.265 108.307 1.00 59.81 N ATOM 708 CZ ARG A 76 13.482 29.278 108.321 1.00 61.08 C ATOM 709 NH1 ARG A 76 13.068 28.028 108.232 1.00 62.39 N ATOM 710 NH2 ARG A 76 14.778 29.541 108.400 1.00 62.41 N ATOM 711 HE ARG A 76 12.961 31.240 108.354 1.00 0.00 H ATOM 712 HH12 ARG A 76 13.758 27.250 108.243 1.00 0.00 H ATOM 713 HH11 ARG A 76 12.052 27.821 108.151 1.00 0.00 H ATOM 714 HH22 ARG A 76 15.467 28.762 108.411 1.00 0.00 H ATOM 715 HH21 ARG A 76 15.106 30.526 108.451 1.00 0.00 H ATOM 716 H ARG A 76 8.825 30.241 111.608 1.00 0.00 H ATOM 717 N ALA A 77 6.062 31.448 109.989 1.00 64.46 N ATOM 718 CA ALA A 77 4.688 31.921 109.997 1.00 66.01 C ATOM 719 C ALA A 77 4.773 32.718 111.273 1.00 67.27 C ATOM 720 O ALA A 77 5.704 32.506 112.060 1.00 68.20 O ATOM 721 CB ALA A 77 3.739 30.782 110.164 1.00 65.63 C ATOM 722 H ALA A 77 6.268 30.435 110.099 1.00 0.00 H ATOM 723 N GLN A 78 3.868 33.638 111.529 1.00 67.55 N ATOM 724 CA GLN A 78 4.100 34.435 112.714 1.00 67.95 C ATOM 725 C GLN A 78 3.352 33.932 113.945 1.00 68.29 C ATOM 726 O GLN A 78 2.472 34.585 114.458 1.00 68.76 O ATOM 727 CB GLN A 78 3.774 35.871 112.402 1.00 68.25 C ATOM 728 CG GLN A 78 4.541 36.370 111.219 1.00 68.38 C ATOM 729 CD GLN A 78 5.969 36.640 111.580 1.00 69.98 C ATOM 730 OE1 GLN A 78 6.253 37.463 112.447 1.00 70.33 O ATOM 731 NE2 GLN A 78 6.884 35.935 110.935 1.00 70.93 N ATOM 732 HE22 GLN A 78 6.595 35.249 110.208 1.00 0.00 H ATOM 733 HE21 GLN A 78 7.892 36.066 111.155 1.00 0.00 H ATOM 734 H GLN A 78 3.039 33.783 110.918 1.00 0.00 H ATOM 735 N GLN A 79 3.698 32.750 114.423 1.00 68.80 N ATOM 736 CA GLN A 79 3.027 32.219 115.604 1.00 69.10 C ATOM 737 C GLN A 79 4.048 31.723 116.617 1.00 68.50 C ATOM 738 O GLN A 79 5.185 31.430 116.249 1.00 68.92 O ATOM 739 CB GLN A 79 2.105 31.074 115.223 1.00 69.32 C ATOM 740 CG GLN A 79 1.168 31.393 114.082 1.00 71.79 C ATOM 741 CD GLN A 79 0.469 30.142 113.595 1.00 74.07 C ATOM 742 OE1 GLN A 79 0.785 29.607 112.521 1.00 75.53 O ATOM 743 NE2 GLN A 79 -0.454 29.637 114.403 1.00 74.25 N ATOM 744 HE22 GLN A 79 -0.686 30.121 115.294 1.00 0.00 H ATOM 745 HE21 GLN A 79 -0.946 28.757 114.145 1.00 0.00 H ATOM 746 H GLN A 79 4.448 32.199 113.958 1.00 0.00 H ATOM 747 N PHE A 80 3.637 31.627 117.883 1.00 67.30 N ATOM 748 CA PHE A 80 4.523 31.174 118.961 1.00 66.14 C ATOM 749 C PHE A 80 4.348 29.697 119.218 1.00 66.01 C ATOM 750 O PHE A 80 3.219 29.200 119.259 1.00 66.42 O ATOM 751 CB PHE A 80 4.270 31.972 120.253 1.00 65.33 C ATOM 752 CG PHE A 80 4.783 33.375 120.184 1.00 64.12 C ATOM 753 CD1 PHE A 80 4.077 34.348 119.488 1.00 62.02 C ATOM 754 CD2 PHE A 80 6.007 33.713 120.751 1.00 61.82 C ATOM 755 CE1 PHE A 80 4.566 35.642 119.388 1.00 60.92 C ATOM 756 CE2 PHE A 80 6.504 35.014 120.659 1.00 60.94 C ATOM 757 CZ PHE A 80 5.785 35.979 119.976 1.00 60.74 C ATOM 758 H PHE A 80 2.655 31.882 118.113 1.00 0.00 H ATOM 759 N VAL A 81 5.459 28.995 119.383 1.00 65.44 N ATOM 760 CA VAL A 81 5.405 27.595 119.783 1.00 65.39 C ATOM 761 C VAL A 81 6.272 27.362 121.019 1.00 65.29 C ATOM 762 O VAL A 81 7.172 28.166 121.313 1.00 65.67 O ATOM 763 CB VAL A 81 5.839 26.655 118.623 1.00 65.66 C ATOM 764 CG1 VAL A 81 4.841 26.733 117.466 1.00 64.59 C ATOM 765 CG2 VAL A 81 7.262 26.996 118.143 1.00 65.11 C ATOM 766 H VAL A 81 6.381 29.449 119.225 1.00 0.00 H ATOM 767 N SER A 82 6.001 26.290 121.759 1.00 64.93 N ATOM 768 CA SER A 82 6.865 25.957 122.887 1.00 64.74 C ATOM 769 C SER A 82 8.149 25.469 122.286 1.00 64.13 C ATOM 770 O SER A 82 8.163 24.964 121.175 1.00 64.60 O ATOM 771 CB SER A 82 6.277 24.840 123.724 1.00 64.76 C ATOM 772 OG SER A 82 4.868 24.943 123.738 1.00 66.84 O ATOM 773 HG SER A 82 4.606 25.816 124.125 1.00 0.00 H ATOM 774 H SER A 82 5.179 25.693 121.535 1.00 0.00 H ATOM 775 N THR A 83 9.240 25.594 123.011 1.00 63.15 N ATOM 776 CA THR A 83 10.500 25.167 122.466 1.00 61.88 C ATOM 777 C THR A 83 11.405 25.024 123.663 1.00 61.50 C ATOM 778 O THR A 83 11.242 25.751 124.619 1.00 61.53 O ATOM 779 CB THR A 83 11.022 26.210 121.426 1.00 61.55 C ATOM 780 OG1 THR A 83 12.335 25.856 121.000 1.00 61.20 O ATOM 781 CG2 THR A 83 11.050 27.628 122.009 1.00 60.69 C ATOM 782 HG1 THR A 83 12.314 24.959 120.581 1.00 0.00 H ATOM 783 H THR A 83 9.191 25.997 123.968 1.00 0.00 H ATOM 784 N LYS A 84 12.305 24.055 123.664 1.00 61.35 N ATOM 785 CA LYS A 84 13.279 23.980 124.752 1.00 61.81 C ATOM 786 C LYS A 84 14.633 23.664 124.212 1.00 60.99 C ATOM 787 O LYS A 84 14.765 23.088 123.148 1.00 61.32 O ATOM 788 CB LYS A 84 12.971 22.895 125.777 1.00 62.54 C ATOM 789 CG LYS A 84 11.505 22.551 126.028 1.00 65.07 C ATOM 790 CD LYS A 84 11.432 21.339 127.001 1.00 67.65 C ATOM 791 CE LYS A 84 9.998 20.814 127.095 1.00 70.76 C ATOM 792 NZ LYS A 84 9.036 21.989 127.157 1.00 71.60 N ATOM 793 HZ1 LYS A 84 9.251 22.568 127.994 1.00 0.00 H ATOM 794 HZ2 LYS A 84 9.140 22.567 126.298 1.00 0.00 H ATOM 795 HZ3 LYS A 84 8.061 21.634 127.221 1.00 0.00 H ATOM 796 H LYS A 84 12.320 23.352 122.897 1.00 0.00 H ATOM 797 N ILE A 85 15.648 24.030 124.966 1.00 60.25 N ATOM 798 CA ILE A 85 16.997 23.635 124.633 1.00 59.04 C ATOM 799 C ILE A 85 17.651 23.213 125.959 1.00 58.81 C ATOM 800 O ILE A 85 17.343 23.775 127.007 1.00 58.41 O ATOM 801 CB ILE A 85 17.753 24.787 123.913 1.00 58.97 C ATOM 802 CG1 ILE A 85 19.039 24.274 123.241 1.00 58.47 C ATOM 803 CG2 ILE A 85 18.062 25.901 124.876 1.00 57.49 C ATOM 804 CD1 ILE A 85 19.804 25.348 122.479 1.00 55.10 C ATOM 805 H ILE A 85 15.477 24.611 125.812 1.00 0.00 H ATOM 806 N ASN A 86 18.508 22.193 125.929 1.00 58.56 N ATOM 807 CA ASN A 86 19.202 21.783 127.134 1.00 58.14 C ATOM 808 C ASN A 86 20.449 22.608 127.301 1.00 57.84 C ATOM 809 O ASN A 86 21.412 22.434 126.574 1.00 58.40 O ATOM 810 CB ASN A 86 19.569 20.298 127.111 1.00 58.24 C ATOM 811 CG ASN A 86 20.277 19.846 128.401 1.00 59.42 C ATOM 812 OD1 ASN A 86 20.540 20.643 129.306 1.00 60.71 O ATOM 813 ND2 ASN A 86 20.588 18.569 128.479 1.00 60.15 N ATOM 814 HD22 ASN A 86 20.350 17.927 127.696 1.00 0.00 H ATOM 815 HD21 ASN A 86 21.071 18.202 129.324 1.00 0.00 H ATOM 816 H ASN A 86 18.680 21.688 125.036 1.00 0.00 H ATOM 817 N LEU A 87 20.441 23.489 128.285 1.00 57.49 N ATOM 818 CA LEU A 87 21.578 24.348 128.519 1.00 57.09 C ATOM 819 C LEU A 87 22.839 23.564 128.818 1.00 57.17 C ATOM 820 O LEU A 87 23.941 24.096 128.702 1.00 57.93 O ATOM 821 CB LEU A 87 21.254 25.341 129.641 1.00 56.83 C ATOM 822 CG LEU A 87 20.106 26.299 129.285 1.00 57.70 C ATOM 823 CD1 LEU A 87 19.614 27.161 130.472 1.00 56.99 C ATOM 824 CD2 LEU A 87 20.525 27.194 128.103 1.00 56.56 C ATOM 825 H LEU A 87 19.605 23.565 128.899 1.00 0.00 H ATOM 826 N ASP A 88 22.709 22.303 129.212 1.00 57.31 N ATOM 827 CA ASP A 88 23.914 21.516 129.500 1.00 57.71 C ATOM 828 C ASP A 88 24.753 21.283 128.247 1.00 57.78 C ATOM 829 O ASP A 88 25.929 20.921 128.326 1.00 58.31 O ATOM 830 CB ASP A 88 23.568 20.179 130.133 1.00 57.64 C ATOM 831 CG ASP A 88 23.562 20.229 131.644 1.00 58.82 C ATOM 832 OD1 ASP A 88 24.198 21.137 132.232 1.00 57.52 O ATOM 833 OD2 ASP A 88 22.932 19.328 132.246 1.00 61.17 O ATOM 834 H ASP A 88 21.765 21.878 129.315 1.00 0.00 H ATOM 835 N ASP A 89 24.148 21.471 127.084 1.00 57.77 N ATOM 836 CA ASP A 89 24.878 21.279 125.844 1.00 57.82 C ATOM 837 C ASP A 89 26.150 22.127 125.863 1.00 57.84 C ATOM 838 O ASP A 89 27.244 21.609 125.636 1.00 58.15 O ATOM 839 CB ASP A 89 24.029 21.702 124.642 1.00 57.92 C ATOM 840 CG ASP A 89 22.952 20.707 124.288 1.00 58.55 C ATOM 841 OD1 ASP A 89 23.038 19.514 124.676 1.00 59.47 O ATOM 842 OD2 ASP A 89 22.028 21.125 123.561 1.00 58.12 O ATOM 843 H ASP A 89 23.148 21.757 127.059 1.00 0.00 H ATOM 844 N HIS A 90 26.014 23.428 126.140 1.00 57.58 N ATOM 845 CA HIS A 90 27.141 24.332 125.962 1.00 57.47 C ATOM 846 C HIS A 90 27.417 25.313 127.076 1.00 57.60 C ATOM 847 O HIS A 90 28.310 26.180 126.944 1.00 57.92 O ATOM 848 CB HIS A 90 27.014 25.056 124.631 1.00 57.61 C ATOM 849 CG HIS A 90 26.979 24.125 123.468 1.00 58.58 C ATOM 850 ND1 HIS A 90 28.123 23.702 122.826 1.00 58.95 N ATOM 851 CD2 HIS A 90 25.948 23.484 122.867 1.00 58.53 C ATOM 852 CE1 HIS A 90 27.794 22.867 121.854 1.00 58.83 C ATOM 853 NE2 HIS A 90 26.483 22.707 121.866 1.00 59.42 N ATOM 854 H HIS A 90 25.103 23.794 126.483 1.00 0.00 H ATOM 855 N ILE A 91 26.666 25.203 128.165 1.00 57.62 N ATOM 856 CA ILE A 91 26.994 25.997 129.338 1.00 58.19 C ATOM 857 C ILE A 91 27.830 25.176 130.296 1.00 58.81 C ATOM 858 O ILE A 91 27.336 24.209 130.860 1.00 58.47 O ATOM 859 CB ILE A 91 25.745 26.542 130.067 1.00 58.25 C ATOM 860 CG1 ILE A 91 24.980 27.528 129.162 1.00 57.87 C ATOM 861 CG2 ILE A 91 26.164 27.278 131.332 1.00 57.21 C ATOM 862 CD1 ILE A 91 25.873 28.600 128.526 1.00 53.89 C ATOM 863 H ILE A 91 25.852 24.556 128.179 1.00 0.00 H ATOM 864 N ALA A 92 29.103 25.537 130.467 1.00 59.87 N ATOM 865 CA ALA A 92 29.934 24.844 131.462 1.00 60.78 C ATOM 866 C ALA A 92 30.303 25.717 132.650 1.00 61.93 C ATOM 867 O ALA A 92 30.391 26.957 132.542 1.00 62.38 O ATOM 868 CB ALA A 92 31.177 24.288 130.844 1.00 60.74 C ATOM 869 H ALA A 92 29.507 26.308 129.897 1.00 0.00 H ATOM 870 N ASN A 93 30.507 25.054 133.790 1.00 62.74 N ATOM 871 CA ASN A 93 31.040 25.701 134.979 1.00 63.13 C ATOM 872 C ASN A 93 32.539 25.806 134.830 1.00 63.23 C ATOM 873 O ASN A 93 33.247 24.800 134.759 1.00 63.42 O ATOM 874 CB ASN A 93 30.667 24.899 136.236 1.00 63.43 C ATOM 875 CG ASN A 93 31.457 25.324 137.476 1.00 64.07 C ATOM 876 OD1 ASN A 93 31.866 26.485 137.634 1.00 65.70 O ATOM 877 ND2 ASN A 93 31.665 24.371 138.370 1.00 65.56 N ATOM 878 HD22 ASN A 93 31.305 23.410 138.199 1.00 0.00 H ATOM 879 HD21 ASN A 93 32.188 24.583 139.244 1.00 0.00 H ATOM 880 H ASN A 93 30.277 24.040 133.830 1.00 0.00 H ATOM 881 N ILE A 94 33.046 27.021 134.743 1.00 63.48 N ATOM 882 CA ILE A 94 34.480 27.143 134.701 1.00 63.57 C ATOM 883 C ILE A 94 34.991 27.789 135.985 1.00 64.67 C ATOM 884 O ILE A 94 35.139 29.024 136.092 1.00 64.68 O ATOM 885 CB ILE A 94 34.965 27.822 133.434 1.00 63.02 C ATOM 886 CG1 ILE A 94 34.604 26.961 132.224 1.00 62.48 C ATOM 887 CG2 ILE A 94 36.475 28.053 133.501 1.00 63.19 C ATOM 888 CD1 ILE A 94 35.414 25.654 132.082 1.00 62.16 C ATOM 889 H ILE A 94 32.432 27.860 134.706 1.00 0.00 H ATOM 890 N ASP A 95 35.216 26.926 136.974 1.00 65.33 N ATOM 891 CA ASP A 95 35.847 27.342 138.209 1.00 66.17 C ATOM 892 C ASP A 95 34.994 28.393 138.890 1.00 66.27 C ATOM 893 O ASP A 95 35.494 29.490 139.209 1.00 65.86 O ATOM 894 CB ASP A 95 37.235 27.910 137.892 1.00 66.77 C ATOM 895 CG ASP A 95 37.875 28.608 139.083 1.00 68.79 C ATOM 896 OD1 ASP A 95 38.126 27.954 140.140 1.00 71.71 O ATOM 897 OD2 ASP A 95 38.136 29.821 138.952 1.00 70.34 O ATOM 898 H ASP A 95 34.932 25.932 136.857 1.00 0.00 H ATOM 899 N GLY A 96 33.711 28.060 139.096 1.00 66.12 N ATOM 900 CA GLY A 96 32.764 28.969 139.750 1.00 66.36 C ATOM 901 C GLY A 96 32.009 29.945 138.841 1.00 66.40 C ATOM 902 O GLY A 96 30.974 30.525 139.228 1.00 66.46 O ATOM 903 H GLY A 96 33.377 27.127 138.782 1.00 0.00 H ATOM 904 N THR A 97 32.508 30.141 137.627 1.00 65.91 N ATOM 905 CA THR A 97 31.792 30.995 136.671 1.00 65.50 C ATOM 906 C THR A 97 31.077 30.198 135.551 1.00 65.02 C ATOM 907 O THR A 97 31.617 29.214 135.019 1.00 64.86 O ATOM 908 CB THR A 97 32.747 32.029 136.063 1.00 65.64 C ATOM 909 OG1 THR A 97 33.448 32.683 137.131 1.00 65.36 O ATOM 910 CG2 THR A 97 31.989 33.053 135.223 1.00 64.97 C ATOM 911 HG1 THR A 97 34.070 33.355 136.754 1.00 0.00 H ATOM 912 H THR A 97 33.405 29.691 137.353 1.00 0.00 H ATOM 913 N LEU A 98 29.850 30.608 135.222 1.00 64.14 N ATOM 914 CA LEU A 98 29.176 30.118 134.010 1.00 63.18 C ATOM 915 C LEU A 98 29.826 30.651 132.716 1.00 62.89 C ATOM 916 O LEU A 98 29.983 31.865 132.521 1.00 61.96 O ATOM 917 CB LEU A 98 27.690 30.464 134.042 1.00 62.41 C ATOM 918 CG LEU A 98 26.998 29.784 135.216 1.00 61.81 C ATOM 919 CD1 LEU A 98 25.567 30.239 135.378 1.00 59.98 C ATOM 920 CD2 LEU A 98 27.056 28.279 135.043 1.00 61.62 C ATOM 921 H LEU A 98 29.360 31.289 135.836 1.00 0.00 H ATOM 922 N LYS A 99 30.210 29.728 131.840 1.00 62.82 N ATOM 923 CA LYS A 99 30.730 30.103 130.541 1.00 62.88 C ATOM 924 C LYS A 99 30.056 29.324 129.426 1.00 63.08 C ATOM 925 O LYS A 99 29.688 28.148 129.608 1.00 63.50 O ATOM 926 CB LYS A 99 32.227 29.853 130.482 1.00 63.16 C ATOM 927 CG LYS A 99 33.000 30.588 131.543 1.00 64.23 C ATOM 928 CD LYS A 99 34.141 31.349 130.907 1.00 66.49 C ATOM 929 CE LYS A 99 34.859 32.236 131.930 1.00 69.15 C ATOM 930 NZ LYS A 99 35.246 33.539 131.318 1.00 68.70 N ATOM 931 HZ1 LYS A 99 35.884 33.367 130.515 1.00 0.00 H ATOM 932 HZ2 LYS A 99 34.392 34.032 130.986 1.00 0.00 H ATOM 933 HZ3 LYS A 99 35.731 34.124 132.028 1.00 0.00 H ATOM 934 H LYS A 99 30.136 28.721 132.091 1.00 0.00 H ATOM 935 N TYR A 100 29.912 29.989 128.276 1.00 63.04 N ATOM 936 CA TYR A 100 29.431 29.400 127.015 1.00 62.76 C ATOM 937 C TYR A 100 30.588 28.948 126.146 1.00 62.74 C ATOM 938 O TYR A 100 31.375 29.767 125.693 1.00 62.51 O ATOM 939 CB TYR A 100 28.636 30.450 126.222 1.00 62.22 C ATOM 940 CG TYR A 100 28.124 29.972 124.866 1.00 62.36 C ATOM 941 CD1 TYR A 100 27.507 28.736 124.733 1.00 60.67 C ATOM 942 CD2 TYR A 100 28.224 30.775 123.731 1.00 63.14 C ATOM 943 CE1 TYR A 100 27.034 28.311 123.524 1.00 61.07 C ATOM 944 CE2 TYR A 100 27.735 30.347 122.502 1.00 61.57 C ATOM 945 CZ TYR A 100 27.154 29.113 122.410 1.00 61.05 C ATOM 946 OH TYR A 100 26.669 28.659 121.209 1.00 61.08 O ATOM 947 HH TYR A 100 25.965 29.275 120.884 1.00 0.00 H ATOM 948 H TYR A 100 30.158 30.999 128.271 1.00 0.00 H ATOM 949 N GLU A 101 30.681 27.653 125.866 1.00 63.25 N ATOM 950 CA GLU A 101 31.798 27.171 125.055 1.00 63.25 C ATOM 951 C GLU A 101 31.327 26.825 123.648 1.00 63.21 C ATOM 952 O GLU A 101 30.406 26.020 123.473 1.00 63.64 O ATOM 953 CB GLU A 101 32.449 25.952 125.704 1.00 63.45 C ATOM 954 CG GLU A 101 31.976 25.649 127.130 1.00 64.49 C ATOM 955 CD GLU A 101 32.731 24.471 127.733 1.00 67.25 C ATOM 956 OE1 GLU A 101 32.103 23.371 127.885 1.00 65.24 O ATOM 957 OE2 GLU A 101 33.956 24.657 128.025 1.00 66.40 O ATOM 958 H GLU A 101 29.965 26.987 126.221 1.00 0.00 H TER 959 GLU A 101 ATOM 960 N LEU B 1 31.657 19.086 125.865 1.00 65.41 N ATOM 961 CA LEU B 1 31.443 20.518 126.269 1.00 66.22 C ATOM 962 C LEU B 1 30.262 20.777 127.237 1.00 66.18 C ATOM 963 O LEU B 1 29.418 19.910 127.466 1.00 66.29 O ATOM 964 CB LEU B 1 31.281 21.417 125.031 1.00 66.49 C ATOM 965 CG LEU B 1 32.448 21.752 124.076 1.00 67.03 C ATOM 966 CD1 LEU B 1 31.972 22.677 122.938 1.00 66.82 C ATOM 967 CD2 LEU B 1 33.675 22.356 124.777 1.00 66.95 C ATOM 968 HN3 LEU B 1 30.805 18.731 125.386 1.00 0.00 H ATOM 969 HN2 LEU B 1 31.844 18.512 126.712 1.00 0.00 H ATOM 970 HN1 LEU B 1 32.470 19.027 125.219 1.00 0.00 H ATOM 971 N GLY B 2 30.224 21.978 127.815 1.00 66.51 N ATOM 972 CA GLY B 2 29.097 22.409 128.657 1.00 66.81 C ATOM 973 C GLY B 2 28.894 21.697 129.994 1.00 67.08 C ATOM 974 O GLY B 2 29.681 21.879 130.947 1.00 67.09 O ATOM 975 H GLY B 2 31.018 22.633 127.666 1.00 0.00 H ATOM 976 N LYS B 3 27.812 20.913 130.075 1.00 67.05 N ATOM 977 CA LYS B 3 27.492 20.084 131.266 1.00 66.84 C ATOM 978 C LYS B 3 27.420 20.811 132.630 1.00 66.54 C ATOM 979 O LYS B 3 27.166 20.187 133.665 1.00 66.68 O ATOM 980 CB LYS B 3 28.472 18.900 131.357 1.00 67.09 C ATOM 981 CG LYS B 3 28.171 17.713 130.414 1.00 68.03 C ATOM 982 CD LYS B 3 29.483 17.053 129.934 1.00 69.75 C ATOM 983 CE LYS B 3 29.242 16.031 128.819 1.00 72.11 C ATOM 984 NZ LYS B 3 30.385 15.919 127.828 1.00 74.34 N ATOM 985 HZ1 LYS B 3 30.539 16.841 127.372 1.00 0.00 H ATOM 986 HZ2 LYS B 3 31.249 15.630 128.329 1.00 0.00 H ATOM 987 HZ3 LYS B 3 30.148 15.209 127.106 1.00 0.00 H ATOM 988 H LYS B 3 27.162 20.883 129.263 1.00 0.00 H ATOM 989 N PHE B 4 27.635 22.124 132.635 1.00 66.36 N ATOM 990 CA PHE B 4 27.732 22.902 133.886 1.00 65.77 C ATOM 991 C PHE B 4 26.874 22.371 135.029 1.00 66.26 C ATOM 992 O PHE B 4 27.267 22.509 136.189 1.00 66.45 O ATOM 993 CB PHE B 4 27.373 24.378 133.659 1.00 65.16 C ATOM 994 CG PHE B 4 25.897 24.668 133.791 1.00 64.10 C ATOM 995 CD1 PHE B 4 24.968 24.039 132.971 1.00 63.31 C ATOM 996 CD2 PHE B 4 25.434 25.554 134.736 1.00 62.27 C ATOM 997 CE1 PHE B 4 23.605 24.310 133.092 1.00 63.17 C ATOM 998 CE2 PHE B 4 24.071 25.804 134.871 1.00 62.29 C ATOM 999 CZ PHE B 4 23.157 25.190 134.052 1.00 61.32 C ATOM 1000 H PHE B 4 27.738 22.619 131.726 1.00 0.00 H ATOM 1001 N SER B 5 25.709 21.779 134.717 1.00 66.48 N ATOM 1002 CA SER B 5 24.692 21.514 135.741 1.00 66.20 C ATOM 1003 C SER B 5 25.202 20.558 136.799 1.00 66.66 C ATOM 1004 O SER B 5 24.915 20.719 137.989 1.00 67.05 O ATOM 1005 CB SER B 5 23.414 20.941 135.135 1.00 66.36 C ATOM 1006 OG SER B 5 23.414 19.528 135.221 1.00 66.49 O ATOM 1007 HG SER B 5 22.579 19.174 134.824 1.00 0.00 H ATOM 1008 H SER B 5 25.525 21.503 133.731 1.00 0.00 H ATOM 1009 N GLN B 6 25.964 19.561 136.372 1.00 66.68 N ATOM 1010 CA GLN B 6 26.425 18.536 137.289 1.00 66.78 C ATOM 1011 C GLN B 6 27.106 19.123 138.518 1.00 66.68 C ATOM 1012 O GLN B 6 26.908 18.620 139.619 1.00 67.58 O ATOM 1013 CB GLN B 6 27.348 17.558 136.571 1.00 67.12 C ATOM 1014 CG GLN B 6 26.620 16.742 135.533 1.00 67.88 C ATOM 1015 CD GLN B 6 27.559 16.160 134.514 1.00 71.20 C ATOM 1016 OE1 GLN B 6 27.123 15.597 133.513 1.00 72.50 O ATOM 1017 NE2 GLN B 6 28.867 16.298 134.752 1.00 72.78 N ATOM 1018 HE22 GLN B 6 29.191 16.782 135.614 1.00 0.00 H ATOM 1019 HE21 GLN B 6 29.561 15.921 134.076 1.00 0.00 H ATOM 1020 H GLN B 6 26.234 19.513 135.369 1.00 0.00 H ATOM 1021 N THR B 7 27.885 20.189 138.348 1.00 65.94 N ATOM 1022 CA THR B 7 28.499 20.864 139.501 1.00 65.19 C ATOM 1023 C THR B 7 27.937 22.275 139.830 1.00 65.11 C ATOM 1024 O THR B 7 28.684 23.165 140.266 1.00 64.93 O ATOM 1025 CB THR B 7 30.003 21.035 139.300 1.00 65.09 C ATOM 1026 OG1 THR B 7 30.234 22.141 138.409 1.00 65.29 O ATOM 1027 CG2 THR B 7 30.616 19.772 138.731 1.00 63.65 C ATOM 1028 HG1 THR B 7 29.853 22.966 138.803 1.00 0.00 H ATOM 1029 H THR B 7 28.061 20.549 137.388 1.00 0.00 H ATOM 1030 N CYS B 8 26.638 22.485 139.643 1.00 64.55 N ATOM 1031 CA CYS B 8 26.033 23.763 140.024 1.00 64.46 C ATOM 1032 C CYS B 8 24.682 23.500 140.641 1.00 63.74 C ATOM 1033 O CYS B 8 24.075 22.466 140.396 1.00 63.37 O ATOM 1034 CB CYS B 8 25.849 24.678 138.800 1.00 64.91 C ATOM 1035 SG CYS B 8 27.356 25.044 137.872 1.00 66.77 S ATOM 1036 H CYS B 8 26.048 21.738 139.224 1.00 0.00 H ATOM 1037 N TYR B 9 24.177 24.449 141.411 1.00 63.42 N ATOM 1038 CA TYR B 9 22.936 24.202 142.129 1.00 63.21 C ATOM 1039 C TYR B 9 22.183 25.502 142.208 1.00 62.96 C ATOM 1040 O TYR B 9 22.791 26.578 142.156 1.00 62.81 O ATOM 1041 CB TYR B 9 23.227 23.623 143.542 1.00 63.20 C ATOM 1042 CG TYR B 9 24.303 22.540 143.518 1.00 63.89 C ATOM 1043 CD1 TYR B 9 23.961 21.187 143.417 1.00 63.80 C ATOM 1044 CD2 TYR B 9 25.659 22.875 143.524 1.00 64.59 C ATOM 1045 CE1 TYR B 9 24.922 20.190 143.349 1.00 63.24 C ATOM 1046 CE2 TYR B 9 26.647 21.879 143.463 1.00 64.94 C ATOM 1047 CZ TYR B 9 26.268 20.532 143.376 1.00 65.80 C ATOM 1048 OH TYR B 9 27.243 19.530 143.305 1.00 65.59 O ATOM 1049 HH TYR B 9 27.803 19.672 142.501 1.00 0.00 H ATOM 1050 H TYR B 9 24.663 25.364 141.503 1.00 0.00 H ATOM 1051 N ASN B 10 20.864 25.409 142.331 1.00 62.67 N ATOM 1052 CA ASN B 10 20.085 26.601 142.573 1.00 63.00 C ATOM 1053 C ASN B 10 20.199 27.552 141.437 1.00 62.94 C ATOM 1054 O ASN B 10 20.489 28.724 141.645 1.00 63.25 O ATOM 1055 CB ASN B 10 20.594 27.333 143.802 1.00 62.97 C ATOM 1056 CG ASN B 10 20.015 26.778 145.083 1.00 64.53 C ATOM 1057 OD1 ASN B 10 19.276 25.775 145.069 1.00 67.43 O ATOM 1058 ND2 ASN B 10 20.341 27.423 146.205 1.00 65.20 N ATOM 1059 HD22 ASN B 10 20.962 28.256 146.164 1.00 0.00 H ATOM 1060 HD21 ASN B 10 19.974 27.092 147.120 1.00 0.00 H ATOM 1061 H ASN B 10 20.395 24.484 142.254 1.00 0.00 H ATOM 1062 N SER B 11 19.989 27.045 140.231 1.00 63.03 N ATOM 1063 CA SER B 11 20.056 27.874 139.046 1.00 62.76 C ATOM 1064 C SER B 11 18.694 28.475 138.770 1.00 62.33 C ATOM 1065 O SER B 11 17.651 27.851 139.021 1.00 62.69 O ATOM 1066 CB SER B 11 20.497 27.032 137.868 1.00 62.78 C ATOM 1067 OG SER B 11 21.677 26.325 138.216 1.00 63.71 O ATOM 1068 HG SER B 11 22.390 26.971 138.449 1.00 0.00 H ATOM 1069 H SER B 11 19.772 26.033 140.134 1.00 0.00 H ATOM 1070 N ALA B 12 18.711 29.704 138.287 1.00 61.44 N ATOM 1071 CA ALA B 12 17.497 30.366 137.883 1.00 60.96 C ATOM 1072 C ALA B 12 17.707 31.070 136.541 1.00 60.92 C ATOM 1073 O ALA B 12 18.830 31.476 136.174 1.00 60.22 O ATOM 1074 CB ALA B 12 17.067 31.341 138.931 1.00 60.35 C ATOM 1075 H ALA B 12 19.619 30.204 138.197 1.00 0.00 H ATOM 1076 N ILE B 13 16.610 31.166 135.807 1.00 60.71 N ATOM 1077 CA ILE B 13 16.537 31.966 134.607 1.00 60.97 C ATOM 1078 C ILE B 13 15.575 33.111 134.859 1.00 60.66 C ATOM 1079 O ILE B 13 14.535 32.953 135.489 1.00 59.96 O ATOM 1080 CB ILE B 13 16.052 31.140 133.397 1.00 60.92 C ATOM 1081 CG1 ILE B 13 17.256 30.606 132.623 1.00 62.27 C ATOM 1082 CG2 ILE B 13 15.257 31.978 132.462 1.00 60.48 C ATOM 1083 CD1 ILE B 13 16.936 29.331 131.866 1.00 63.79 C ATOM 1084 H ILE B 13 15.763 30.642 136.108 1.00 0.00 H ATOM 1085 N GLN B 14 15.924 34.280 134.367 1.00 60.48 N ATOM 1086 CA GLN B 14 14.994 35.357 134.478 1.00 60.74 C ATOM 1087 C GLN B 14 15.221 36.283 133.322 1.00 59.86 C ATOM 1088 O GLN B 14 16.319 36.817 133.169 1.00 59.37 O ATOM 1089 CB GLN B 14 15.186 36.082 135.795 1.00 60.86 C ATOM 1090 CG GLN B 14 14.096 37.077 136.054 1.00 63.31 C ATOM 1091 CD GLN B 14 14.559 38.152 137.005 1.00 66.67 C ATOM 1092 OE1 GLN B 14 15.710 38.612 136.931 1.00 67.17 O ATOM 1093 NE2 GLN B 14 13.683 38.543 137.925 1.00 65.57 N ATOM 1094 HE22 GLN B 14 12.730 38.127 137.946 1.00 0.00 H ATOM 1095 HE21 GLN B 14 13.951 39.265 138.624 1.00 0.00 H ATOM 1096 H GLN B 14 16.849 34.415 133.911 1.00 0.00 H ATOM 1097 N GLY B 15 14.167 36.485 132.535 1.00 59.59 N ATOM 1098 CA GLY B 15 14.291 37.115 131.221 1.00 59.55 C ATOM 1099 C GLY B 15 15.171 36.169 130.421 1.00 59.62 C ATOM 1100 O GLY B 15 14.793 35.001 130.199 1.00 59.05 O ATOM 1101 H GLY B 15 13.227 36.186 132.864 1.00 0.00 H ATOM 1102 N SER B 16 16.368 36.648 130.057 1.00 59.11 N ATOM 1103 CA SER B 16 17.344 35.842 129.323 1.00 59.01 C ATOM 1104 C SER B 16 18.609 35.552 130.119 1.00 58.92 C ATOM 1105 O SER B 16 19.569 34.986 129.564 1.00 59.55 O ATOM 1106 CB SER B 16 17.777 36.560 128.048 1.00 58.69 C ATOM 1107 OG SER B 16 18.529 37.720 128.376 1.00 59.68 O ATOM 1108 HG SER B 16 18.805 38.179 127.544 1.00 0.00 H ATOM 1109 H SER B 16 16.612 37.628 130.305 1.00 0.00 H ATOM 1110 N VAL B 17 18.636 35.961 131.385 1.00 57.91 N ATOM 1111 CA VAL B 17 19.823 35.784 132.209 1.00 57.27 C ATOM 1112 C VAL B 17 19.747 34.501 132.996 1.00 57.52 C ATOM 1113 O VAL B 17 18.789 34.298 133.746 1.00 57.30 O ATOM 1114 CB VAL B 17 19.992 36.902 133.240 1.00 57.10 C ATOM 1115 CG1 VAL B 17 21.232 36.645 134.064 1.00 55.90 C ATOM 1116 CG2 VAL B 17 20.085 38.247 132.553 1.00 56.31 C ATOM 1117 H VAL B 17 17.794 36.415 131.793 1.00 0.00 H ATOM 1118 N LEU B 18 20.753 33.638 132.824 1.00 57.42 N ATOM 1119 CA LEU B 18 20.903 32.472 133.695 1.00 57.26 C ATOM 1120 C LEU B 18 21.795 32.786 134.880 1.00 57.95 C ATOM 1121 O LEU B 18 22.901 33.326 134.730 1.00 58.28 O ATOM 1122 CB LEU B 18 21.474 31.268 132.940 1.00 56.70 C ATOM 1123 CG LEU B 18 21.637 29.960 133.738 1.00 55.43 C ATOM 1124 CD1 LEU B 18 20.298 29.228 133.966 1.00 53.82 C ATOM 1125 CD2 LEU B 18 22.622 29.040 133.054 1.00 53.67 C ATOM 1126 H LEU B 18 21.440 33.798 132.059 1.00 0.00 H ATOM 1127 N THR B 19 21.329 32.436 136.069 1.00 59.22 N ATOM 1128 CA THR B 19 22.204 32.522 137.252 1.00 59.92 C ATOM 1129 C THR B 19 22.265 31.173 137.940 1.00 60.15 C ATOM 1130 O THR B 19 21.301 30.439 137.947 1.00 59.76 O ATOM 1131 CB THR B 19 21.742 33.590 138.269 1.00 60.15 C ATOM 1132 OG1 THR B 19 21.237 34.737 137.567 1.00 59.16 O ATOM 1133 CG2 THR B 19 22.927 33.999 139.174 1.00 59.15 C ATOM 1134 HG1 THR B 19 20.942 35.419 138.221 1.00 0.00 H ATOM 1135 H THR B 19 20.349 32.102 136.168 1.00 0.00 H ATOM 1136 N SER B 20 23.419 30.850 138.498 1.00 61.51 N ATOM 1137 CA SER B 20 23.589 29.583 139.183 1.00 62.84 C ATOM 1138 C SER B 20 24.719 29.709 140.192 1.00 63.45 C ATOM 1139 O SER B 20 25.465 30.683 140.172 1.00 63.35 O ATOM 1140 CB SER B 20 23.920 28.497 138.180 1.00 62.63 C ATOM 1141 OG SER B 20 23.793 27.216 138.766 1.00 63.96 O ATOM 1142 HG SER B 20 22.863 27.089 139.080 1.00 0.00 H ATOM 1143 H SER B 20 24.217 31.515 138.445 1.00 0.00 H ATOM 1144 N THR B 21 24.829 28.734 141.089 1.00 64.64 N ATOM 1145 CA THR B 21 25.932 28.703 142.028 1.00 65.88 C ATOM 1146 C THR B 21 26.698 27.399 141.798 1.00 67.03 C ATOM 1147 O THR B 21 26.090 26.317 141.754 1.00 66.68 O ATOM 1148 CB THR B 21 25.429 28.821 143.477 1.00 66.08 C ATOM 1149 OG1 THR B 21 24.330 29.754 143.535 1.00 66.86 O ATOM 1150 CG2 THR B 21 26.538 29.331 144.362 1.00 65.56 C ATOM 1151 HG1 THR B 21 24.635 30.641 143.219 1.00 0.00 H ATOM 1152 H THR B 21 24.112 27.981 141.117 1.00 0.00 H ATOM 1153 N CYS B 22 28.023 27.517 141.619 1.00 68.28 N ATOM 1154 CA CYS B 22 28.856 26.422 141.093 1.00 69.74 C ATOM 1155 C CYS B 22 30.146 26.199 141.901 1.00 70.78 C ATOM 1156 O CYS B 22 30.751 27.153 142.384 1.00 70.58 O ATOM 1157 CB CYS B 22 29.221 26.695 139.621 1.00 69.75 C ATOM 1158 SG CYS B 22 27.803 26.941 138.490 1.00 70.06 S ATOM 1159 H CYS B 22 28.480 28.419 141.862 1.00 0.00 H ATOM 1160 N GLU B 23 30.570 24.945 142.036 1.00 71.97 N ATOM 1161 CA GLU B 23 31.742 24.647 142.837 1.00 73.94 C ATOM 1162 C GLU B 23 32.974 25.265 142.206 1.00 75.56 C ATOM 1163 O GLU B 23 33.271 24.998 141.047 1.00 75.99 O ATOM 1164 CB GLU B 23 31.978 23.144 142.928 1.00 73.74 C ATOM 1165 CG GLU B 23 30.732 22.285 142.900 1.00 74.46 C ATOM 1166 CD GLU B 23 31.052 20.791 142.769 1.00 74.87 C ATOM 1167 OE1 GLU B 23 32.208 20.452 142.410 1.00 75.36 O ATOM 1168 OE2 GLU B 23 30.140 19.960 143.013 1.00 74.51 O ATOM 1169 H GLU B 23 30.057 24.173 141.564 1.00 0.00 H ATOM 1170 N ARG B 24 33.704 26.089 142.946 1.00 77.57 N ATOM 1171 CA ARG B 24 35.041 26.430 142.501 1.00 79.62 C ATOM 1172 C ARG B 24 35.796 25.128 142.360 1.00 80.76 C ATOM 1173 O ARG B 24 35.440 24.112 142.979 1.00 80.94 O ATOM 1174 CB ARG B 24 35.746 27.336 143.489 1.00 79.83 C ATOM 1175 CG ARG B 24 35.843 28.753 143.016 1.00 81.44 C ATOM 1176 CD ARG B 24 37.164 29.001 142.297 1.00 83.72 C ATOM 1177 NE ARG B 24 37.595 30.366 142.566 1.00 86.14 N ATOM 1178 CZ ARG B 24 36.932 31.190 143.378 1.00 87.90 C ATOM 1179 NH1 ARG B 24 35.820 30.773 143.980 1.00 88.75 N ATOM 1180 NH2 ARG B 24 37.367 32.427 143.590 1.00 88.05 N ATOM 1181 HE ARG B 24 38.459 30.714 142.104 1.00 0.00 H ATOM 1182 HH12 ARG B 24 35.300 31.413 144.614 1.00 0.00 H ATOM 1183 HH11 ARG B 24 35.471 29.807 143.816 1.00 0.00 H ATOM 1184 HH22 ARG B 24 36.842 33.061 144.225 1.00 0.00 H ATOM 1185 HH21 ARG B 24 38.233 32.761 143.121 1.00 0.00 H ATOM 1186 H ARG B 24 33.324 26.484 143.830 1.00 0.00 H ATOM 1187 N THR B 25 36.828 25.143 141.531 1.00 82.30 N ATOM 1188 CA THR B 25 37.524 23.905 141.215 1.00 83.65 C ATOM 1189 C THR B 25 37.960 23.203 142.518 1.00 84.58 C ATOM 1190 O THR B 25 37.592 22.044 142.778 1.00 84.91 O ATOM 1191 CB THR B 25 38.714 24.179 140.291 1.00 83.68 C ATOM 1192 OG1 THR B 25 38.981 23.010 139.500 1.00 83.91 O ATOM 1193 CG2 THR B 25 39.944 24.584 141.119 1.00 83.56 C ATOM 1194 HG1 THR B 25 39.750 23.186 138.902 1.00 0.00 H ATOM 1195 H THR B 25 37.141 26.039 141.106 1.00 0.00 H ATOM 1196 N ASN B 26 38.725 23.927 143.338 1.00 85.20 N ATOM 1197 CA ASN B 26 39.098 23.473 144.682 1.00 85.61 C ATOM 1198 C ASN B 26 38.485 24.411 145.724 1.00 85.32 C ATOM 1199 O ASN B 26 38.774 25.615 145.728 1.00 85.96 O ATOM 1200 CB ASN B 26 40.622 23.484 144.829 1.00 85.74 C ATOM 1201 CG ASN B 26 41.321 22.757 143.683 1.00 87.71 C ATOM 1202 OD1 ASN B 26 41.275 21.519 143.599 1.00 88.48 O ATOM 1203 ND2 ASN B 26 41.975 23.524 142.790 1.00 88.54 N ATOM 1204 HD22 ASN B 26 41.986 24.558 142.902 1.00 0.00 H ATOM 1205 HD21 ASN B 26 42.469 23.082 141.989 1.00 0.00 H ATOM 1206 H ASN B 26 39.071 24.851 143.010 1.00 0.00 H ATOM 1207 N GLY B 27 37.634 23.892 146.601 1.00 84.24 N ATOM 1208 CA GLY B 27 37.106 24.753 147.652 1.00 83.00 C ATOM 1209 C GLY B 27 35.735 25.372 147.406 1.00 82.05 C ATOM 1210 O GLY B 27 34.749 24.654 147.198 1.00 81.80 O ATOM 1211 H GLY B 27 37.350 22.893 146.539 1.00 0.00 H ATOM 1212 N GLY B 28 35.675 26.708 147.434 1.00 81.18 N ATOM 1213 CA GLY B 28 34.399 27.456 147.518 1.00 79.57 C ATOM 1214 C GLY B 28 33.259 27.171 146.523 1.00 78.86 C ATOM 1215 O GLY B 28 33.289 26.195 145.751 1.00 78.63 O ATOM 1216 H GLY B 28 36.564 27.246 147.395 1.00 0.00 H ATOM 1217 N TYR B 29 32.240 28.035 146.577 1.00 77.43 N ATOM 1218 CA TYR B 29 31.075 27.988 145.705 1.00 76.26 C ATOM 1219 C TYR B 29 30.812 29.409 145.219 1.00 75.84 C ATOM 1220 O TYR B 29 30.650 30.322 146.044 1.00 76.50 O ATOM 1221 CB TYR B 29 29.843 27.505 146.468 1.00 76.07 C ATOM 1222 CG TYR B 29 29.661 26.004 146.498 1.00 75.86 C ATOM 1223 CD1 TYR B 29 30.319 25.211 147.440 1.00 75.11 C ATOM 1224 CD2 TYR B 29 28.819 25.377 145.591 1.00 76.15 C ATOM 1225 CE1 TYR B 29 30.156 23.826 147.468 1.00 74.24 C ATOM 1226 CE2 TYR B 29 28.642 23.989 145.608 1.00 76.48 C ATOM 1227 CZ TYR B 29 29.315 23.216 146.550 1.00 75.35 C ATOM 1228 OH TYR B 29 29.116 21.841 146.547 1.00 75.57 O ATOM 1229 HH TYR B 29 29.656 21.429 147.267 1.00 0.00 H ATOM 1230 H TYR B 29 32.282 28.791 147.290 1.00 0.00 H ATOM 1231 N ASN B 30 30.770 29.612 143.896 1.00 74.52 N ATOM 1232 CA ASN B 30 30.479 30.943 143.339 1.00 72.46 C ATOM 1233 C ASN B 30 29.125 31.006 142.658 1.00 71.25 C ATOM 1234 O ASN B 30 28.667 30.047 142.010 1.00 71.19 O ATOM 1235 CB ASN B 30 31.566 31.430 142.380 1.00 72.22 C ATOM 1236 CG ASN B 30 31.297 32.856 141.865 1.00 72.98 C ATOM 1237 OD1 ASN B 30 30.999 33.766 142.645 1.00 72.76 O ATOM 1238 ND2 ASN B 30 31.406 33.050 140.545 1.00 72.00 N ATOM 1239 HD22 ASN B 30 31.659 32.257 139.922 1.00 0.00 H ATOM 1240 HD21 ASN B 30 31.238 33.994 140.142 1.00 0.00 H ATOM 1241 H ASN B 30 30.946 28.815 143.251 1.00 0.00 H ATOM 1242 N THR B 31 28.482 32.146 142.850 1.00 69.54 N ATOM 1243 CA THR B 31 27.261 32.470 142.161 1.00 68.25 C ATOM 1244 C THR B 31 27.630 33.478 141.080 1.00 67.74 C ATOM 1245 O THR B 31 28.379 34.436 141.330 1.00 67.71 O ATOM 1246 CB THR B 31 26.227 33.068 143.110 1.00 68.16 C ATOM 1247 OG1 THR B 31 25.519 32.002 143.759 1.00 68.13 O ATOM 1248 CG2 THR B 31 25.260 33.914 142.339 1.00 66.78 C ATOM 1249 HG1 THR B 31 25.066 31.445 143.077 1.00 0.00 H ATOM 1250 H THR B 31 28.874 32.834 143.524 1.00 0.00 H ATOM 1251 N SER B 32 27.117 33.233 139.876 1.00 66.34 N ATOM 1252 CA SER B 32 27.486 33.972 138.675 1.00 64.72 C ATOM 1253 C SER B 32 26.297 33.863 137.747 1.00 63.32 C ATOM 1254 O SER B 32 25.461 32.982 137.905 1.00 63.00 O ATOM 1255 CB SER B 32 28.645 33.263 137.992 1.00 64.70 C ATOM 1256 OG SER B 32 28.271 31.900 137.790 1.00 65.83 O ATOM 1257 HG SER B 32 27.462 31.862 137.220 1.00 0.00 H ATOM 1258 H SER B 32 26.414 32.472 139.788 1.00 0.00 H ATOM 1259 N SER B 33 26.220 34.747 136.762 1.00 61.83 N ATOM 1260 CA SER B 33 25.201 34.581 135.743 1.00 60.73 C ATOM 1261 C SER B 33 25.748 34.902 134.366 1.00 59.78 C ATOM 1262 O SER B 33 26.813 35.526 134.222 1.00 59.72 O ATOM 1263 CB SER B 33 23.985 35.440 136.062 1.00 60.63 C ATOM 1264 OG SER B 33 24.424 36.712 136.466 1.00 60.33 O ATOM 1265 HG SER B 33 23.640 37.279 136.676 1.00 0.00 H ATOM 1266 H SER B 33 26.881 35.549 136.720 1.00 0.00 H ATOM 1267 N ILE B 34 25.020 34.466 133.350 1.00 58.49 N ATOM 1268 CA ILE B 34 25.398 34.760 131.981 1.00 56.92 C ATOM 1269 C ILE B 34 24.136 35.121 131.230 1.00 57.12 C ATOM 1270 O ILE B 34 23.105 34.455 131.394 1.00 57.18 O ATOM 1271 CB ILE B 34 26.034 33.541 131.316 1.00 56.57 C ATOM 1272 CG1 ILE B 34 26.542 33.925 129.910 1.00 55.32 C ATOM 1273 CG2 ILE B 34 25.027 32.363 131.318 1.00 55.89 C ATOM 1274 CD1 ILE B 34 27.315 32.847 129.157 1.00 50.31 C ATOM 1275 H ILE B 34 24.165 33.905 133.536 1.00 0.00 H ATOM 1276 N ASP B 35 24.202 36.179 130.421 1.00 56.75 N ATOM 1277 CA ASP B 35 23.041 36.588 129.642 1.00 56.33 C ATOM 1278 C ASP B 35 22.932 35.784 128.384 1.00 56.05 C ATOM 1279 O ASP B 35 23.778 35.915 127.492 1.00 56.92 O ATOM 1280 CB ASP B 35 23.137 38.047 129.228 1.00 56.50 C ATOM 1281 CG ASP B 35 21.786 38.617 128.814 1.00 57.46 C ATOM 1282 OD1 ASP B 35 20.841 37.830 128.546 1.00 55.65 O ATOM 1283 OD2 ASP B 35 21.673 39.860 128.769 1.00 59.30 O ATOM 1284 H ASP B 35 25.089 36.716 130.346 1.00 0.00 H ATOM 1285 N LEU B 36 21.881 34.983 128.291 1.00 54.97 N ATOM 1286 CA LEU B 36 21.616 34.196 127.102 1.00 54.31 C ATOM 1287 C LEU B 36 21.272 35.016 125.855 1.00 54.70 C ATOM 1288 O LEU B 36 21.212 34.472 124.754 1.00 55.55 O ATOM 1289 CB LEU B 36 20.486 33.218 127.393 1.00 53.88 C ATOM 1290 CG LEU B 36 20.946 32.123 128.352 1.00 53.75 C ATOM 1291 CD1 LEU B 36 20.195 30.849 128.084 1.00 53.33 C ATOM 1292 CD2 LEU B 36 22.448 31.894 128.206 1.00 50.25 C ATOM 1293 H LEU B 36 21.226 34.916 129.096 1.00 0.00 H ATOM 1294 N ASN B 37 21.013 36.312 126.013 1.00 55.26 N ATOM 1295 CA ASN B 37 20.562 37.119 124.877 1.00 55.07 C ATOM 1296 C ASN B 37 21.468 36.815 123.705 1.00 55.49 C ATOM 1297 O ASN B 37 21.035 36.814 122.554 1.00 55.27 O ATOM 1298 CB ASN B 37 20.508 38.652 125.182 1.00 55.65 C ATOM 1299 CG ASN B 37 21.904 39.300 125.504 1.00 54.26 C ATOM 1300 OD1 ASN B 37 22.882 38.622 125.811 1.00 55.87 O ATOM 1301 ND2 ASN B 37 21.958 40.618 125.448 1.00 50.76 N ATOM 1302 HD22 ASN B 37 21.112 41.162 125.185 1.00 0.00 H ATOM 1303 HD21 ASN B 37 22.847 41.112 125.667 1.00 0.00 H ATOM 1304 H ASN B 37 21.131 36.754 126.947 1.00 0.00 H ATOM 1305 N SER B 38 22.727 36.500 124.001 1.00 55.38 N ATOM 1306 CA SER B 38 23.692 36.448 122.937 1.00 55.59 C ATOM 1307 C SER B 38 24.261 35.079 122.693 1.00 55.42 C ATOM 1308 O SER B 38 25.188 34.944 121.922 1.00 56.12 O ATOM 1309 CB SER B 38 24.823 37.390 123.247 1.00 55.75 C ATOM 1310 OG SER B 38 25.436 36.936 124.429 1.00 58.35 O ATOM 1311 HG SER B 38 26.188 37.537 124.661 1.00 0.00 H ATOM 1312 H SER B 38 23.007 36.296 124.982 1.00 0.00 H ATOM 1313 N VAL B 39 23.739 34.048 123.330 1.00 55.16 N ATOM 1314 CA VAL B 39 24.294 32.752 123.049 1.00 54.86 C ATOM 1315 C VAL B 39 23.229 31.926 122.379 1.00 55.38 C ATOM 1316 O VAL B 39 23.513 30.873 121.807 1.00 55.72 O ATOM 1317 CB VAL B 39 24.870 32.046 124.313 1.00 54.90 C ATOM 1318 CG1 VAL B 39 25.382 33.067 125.302 1.00 54.24 C ATOM 1319 CG2 VAL B 39 23.839 31.171 124.982 1.00 54.94 C ATOM 1320 H VAL B 39 22.959 34.168 124.007 1.00 0.00 H ATOM 1321 N ILE B 40 21.992 32.402 122.454 1.00 55.39 N ATOM 1322 CA ILE B 40 20.863 31.653 121.910 1.00 55.21 C ATOM 1323 C ILE B 40 20.223 32.395 120.742 1.00 55.04 C ATOM 1324 O ILE B 40 20.109 33.634 120.739 1.00 53.90 O ATOM 1325 CB ILE B 40 19.777 31.408 122.966 1.00 55.35 C ATOM 1326 CG1 ILE B 40 20.113 30.180 123.756 1.00 57.10 C ATOM 1327 CG2 ILE B 40 18.470 31.108 122.300 1.00 55.24 C ATOM 1328 CD1 ILE B 40 20.291 29.048 122.850 1.00 58.47 C ATOM 1329 H ILE B 40 21.825 33.323 122.907 1.00 0.00 H ATOM 1330 N GLU B 41 19.792 31.632 119.743 1.00 54.67 N ATOM 1331 CA GLU B 41 19.100 32.258 118.644 1.00 54.62 C ATOM 1332 C GLU B 41 17.914 31.430 118.320 1.00 54.23 C ATOM 1333 O GLU B 41 17.953 30.197 118.418 1.00 54.29 O ATOM 1334 CB GLU B 41 20.004 32.367 117.422 1.00 54.98 C ATOM 1335 CG GLU B 41 19.329 32.897 116.185 1.00 55.67 C ATOM 1336 CD GLU B 41 20.288 32.972 114.996 1.00 59.07 C ATOM 1337 OE1 GLU B 41 19.816 32.772 113.854 1.00 59.79 O ATOM 1338 OE2 GLU B 41 21.509 33.232 115.200 1.00 59.65 O ATOM 1339 H GLU B 41 19.951 30.604 119.754 1.00 0.00 H ATOM 1340 N ASN B 42 16.865 32.124 117.919 1.00 53.91 N ATOM 1341 CA ASN B 42 15.630 31.510 117.512 1.00 54.05 C ATOM 1342 C ASN B 42 15.598 31.364 116.002 1.00 54.20 C ATOM 1343 O ASN B 42 15.813 32.329 115.269 1.00 54.06 O ATOM 1344 CB ASN B 42 14.476 32.392 117.940 1.00 54.19 C ATOM 1345 CG ASN B 42 13.211 32.045 117.234 1.00 54.49 C ATOM 1346 OD1 ASN B 42 12.412 32.919 116.949 1.00 54.57 O ATOM 1347 ND2 ASN B 42 13.023 30.756 116.926 1.00 52.88 N ATOM 1348 HD22 ASN B 42 13.737 30.048 117.192 1.00 0.00 H ATOM 1349 HD21 ASN B 42 12.163 30.462 116.420 1.00 0.00 H ATOM 1350 H ASN B 42 16.935 33.161 117.896 1.00 0.00 H ATOM 1351 N VAL B 43 15.335 30.149 115.537 1.00 54.54 N ATOM 1352 CA VAL B 43 15.262 29.886 114.109 1.00 54.51 C ATOM 1353 C VAL B 43 13.930 29.253 113.788 1.00 54.85 C ATOM 1354 O VAL B 43 13.692 28.088 114.092 1.00 55.06 O ATOM 1355 CB VAL B 43 16.387 28.950 113.639 1.00 54.83 C ATOM 1356 CG1 VAL B 43 16.223 28.645 112.151 1.00 54.87 C ATOM 1357 CG2 VAL B 43 17.761 29.575 113.913 1.00 53.66 C ATOM 1358 H VAL B 43 15.178 29.370 116.207 1.00 0.00 H ATOM 1359 N ASP B 44 13.047 30.046 113.200 1.00 55.31 N ATOM 1360 CA ASP B 44 11.720 29.588 112.847 1.00 55.23 C ATOM 1361 C ASP B 44 11.041 28.922 114.040 1.00 55.67 C ATOM 1362 O ASP B 44 10.318 27.912 113.900 1.00 55.79 O ATOM 1363 CB ASP B 44 11.792 28.634 111.657 1.00 55.16 C ATOM 1364 CG ASP B 44 10.464 27.993 111.352 1.00 54.75 C ATOM 1365 OD1 ASP B 44 9.404 28.642 111.571 1.00 53.80 O ATOM 1366 OD2 ASP B 44 10.486 26.830 110.908 1.00 52.99 O ATOM 1367 H ASP B 44 13.315 31.028 112.985 1.00 0.00 H ATOM 1368 N GLY B 45 11.269 29.490 115.220 1.00 55.77 N ATOM 1369 CA GLY B 45 10.582 29.022 116.406 1.00 55.89 C ATOM 1370 C GLY B 45 11.361 28.057 117.281 1.00 56.14 C ATOM 1371 O GLY B 45 10.850 27.640 118.326 1.00 57.20 O ATOM 1372 H GLY B 45 11.946 30.276 115.292 1.00 0.00 H ATOM 1373 N SER B 46 12.588 27.713 116.899 1.00 55.44 N ATOM 1374 CA SER B 46 13.400 26.855 117.759 1.00 55.29 C ATOM 1375 C SER B 46 14.657 27.504 118.266 1.00 55.89 C ATOM 1376 O SER B 46 15.338 28.247 117.553 1.00 56.36 O ATOM 1377 CB SER B 46 13.754 25.533 117.083 1.00 55.25 C ATOM 1378 OG SER B 46 12.619 24.666 117.079 1.00 54.57 O ATOM 1379 HG SER B 46 12.336 24.490 118.011 1.00 0.00 H ATOM 1380 H SER B 46 12.968 28.053 115.992 1.00 0.00 H ATOM 1381 N LEU B 47 14.957 27.229 119.525 1.00 56.10 N ATOM 1382 CA LEU B 47 16.110 27.801 120.173 1.00 55.71 C ATOM 1383 C LEU B 47 17.331 27.064 119.684 1.00 55.69 C ATOM 1384 O LEU B 47 17.397 25.838 119.789 1.00 55.44 O ATOM 1385 CB LEU B 47 15.970 27.643 121.683 1.00 55.85 C ATOM 1386 CG LEU B 47 14.977 28.630 122.282 1.00 56.18 C ATOM 1387 CD1 LEU B 47 14.466 28.156 123.632 1.00 57.55 C ATOM 1388 CD2 LEU B 47 15.672 29.960 122.408 1.00 55.39 C ATOM 1389 H LEU B 47 14.344 26.582 120.061 1.00 0.00 H ATOM 1390 N LYS B 48 18.292 27.807 119.147 1.00 55.35 N ATOM 1391 CA LYS B 48 19.497 27.211 118.623 1.00 55.46 C ATOM 1392 C LYS B 48 20.692 27.822 119.288 1.00 55.58 C ATOM 1393 O LYS B 48 20.730 29.030 119.516 1.00 55.89 O ATOM 1394 CB LYS B 48 19.629 27.507 117.120 1.00 56.05 C ATOM 1395 CG LYS B 48 18.417 27.170 116.265 1.00 55.71 C ATOM 1396 CD LYS B 48 17.768 25.916 116.737 1.00 56.70 C ATOM 1397 CE LYS B 48 18.529 24.702 116.249 1.00 59.53 C ATOM 1398 NZ LYS B 48 17.621 23.511 116.433 1.00 60.84 N ATOM 1399 HZ1 LYS B 48 17.378 23.414 117.440 1.00 0.00 H ATOM 1400 HZ2 LYS B 48 16.753 23.650 115.878 1.00 0.00 H ATOM 1401 HZ3 LYS B 48 18.108 22.652 116.108 1.00 0.00 H ATOM 1402 H LYS B 48 18.174 28.839 119.103 1.00 0.00 H ATOM 1403 N TRP B 49 21.703 27.011 119.547 1.00 55.48 N ATOM 1404 CA TRP B 49 22.947 27.550 120.043 1.00 55.45 C ATOM 1405 C TRP B 49 23.603 28.445 118.980 1.00 55.78 C ATOM 1406 O TRP B 49 23.909 27.999 117.881 1.00 56.82 O ATOM 1407 CB TRP B 49 23.886 26.408 120.443 1.00 55.34 C ATOM 1408 CG TRP B 49 23.412 25.606 121.644 1.00 55.13 C ATOM 1409 CD1 TRP B 49 22.868 24.346 121.639 1.00 54.28 C ATOM 1410 CD2 TRP B 49 23.446 26.026 123.020 1.00 54.36 C ATOM 1411 NE1 TRP B 49 22.554 23.963 122.931 1.00 55.70 N ATOM 1412 CE2 TRP B 49 22.908 24.971 123.795 1.00 54.10 C ATOM 1413 CE3 TRP B 49 23.886 27.189 123.670 1.00 53.13 C ATOM 1414 CZ2 TRP B 49 22.785 25.053 125.183 1.00 53.25 C ATOM 1415 CZ3 TRP B 49 23.765 27.266 125.044 1.00 52.31 C ATOM 1416 CH2 TRP B 49 23.211 26.210 125.788 1.00 52.15 C ATOM 1417 HE1 TRP B 49 22.120 23.058 123.204 1.00 0.00 H ATOM 1418 H TRP B 49 21.603 25.987 119.394 1.00 0.00 H ATOM 1419 N GLN B 50 23.857 29.694 119.313 1.00 55.68 N ATOM 1420 CA GLN B 50 24.386 30.632 118.343 1.00 56.34 C ATOM 1421 C GLN B 50 25.927 30.590 118.350 1.00 56.73 C ATOM 1422 O GLN B 50 26.528 30.769 119.409 1.00 57.57 O ATOM 1423 CB GLN B 50 23.857 32.035 118.661 1.00 55.71 C ATOM 1424 CG GLN B 50 23.908 32.963 117.490 1.00 58.08 C ATOM 1425 CD GLN B 50 23.985 34.455 117.851 1.00 59.03 C ATOM 1426 OE1 GLN B 50 24.593 34.835 118.841 1.00 58.63 O ATOM 1427 NE2 GLN B 50 23.385 35.306 117.010 1.00 59.56 N ATOM 1428 HE22 GLN B 50 22.877 34.944 116.178 1.00 0.00 H ATOM 1429 HE21 GLN B 50 23.427 36.330 117.189 1.00 0.00 H ATOM 1430 H GLN B 50 23.675 30.012 120.286 1.00 0.00 H ATOM 1431 N PRO B 51 26.571 30.339 117.174 1.00 57.00 N ATOM 1432 CA PRO B 51 28.029 30.219 117.070 1.00 56.62 C ATOM 1433 C PRO B 51 28.716 31.544 116.775 1.00 56.85 C ATOM 1434 O PRO B 51 28.138 32.411 116.116 1.00 56.94 O ATOM 1435 CB PRO B 51 28.195 29.328 115.845 1.00 56.35 C ATOM 1436 CG PRO B 51 27.104 29.820 114.927 1.00 56.50 C ATOM 1437 CD PRO B 51 25.933 30.122 115.851 1.00 56.89 C ATOM 1438 N SER B 52 29.954 31.692 117.234 1.00 57.33 N ATOM 1439 CA SER B 52 30.784 32.815 116.812 1.00 57.84 C ATOM 1440 C SER B 52 32.208 32.348 116.724 1.00 58.50 C ATOM 1441 O SER B 52 32.625 31.495 117.490 1.00 59.86 O ATOM 1442 CB SER B 52 30.692 34.007 117.761 1.00 57.77 C ATOM 1443 OG SER B 52 31.786 34.895 117.539 1.00 57.53 O ATOM 1444 HG SER B 52 31.717 35.664 118.159 1.00 0.00 H ATOM 1445 H SER B 52 30.338 30.996 117.905 1.00 0.00 H ATOM 1446 N ASN B 53 32.956 32.929 115.801 1.00 58.78 N ATOM 1447 CA ASN B 53 34.310 32.496 115.494 1.00 58.89 C ATOM 1448 C ASN B 53 35.343 33.392 116.111 1.00 59.14 C ATOM 1449 O ASN B 53 36.535 33.221 115.872 1.00 59.24 O ATOM 1450 CB ASN B 53 34.535 32.578 113.986 1.00 58.52 C ATOM 1451 CG ASN B 53 34.379 34.001 113.448 1.00 58.33 C ATOM 1452 OD1 ASN B 53 33.815 34.886 114.104 1.00 58.19 O ATOM 1453 ND2 ASN B 53 34.842 34.213 112.234 1.00 57.80 N ATOM 1454 HD22 ASN B 53 35.310 33.443 111.714 1.00 0.00 H ATOM 1455 HD21 ASN B 53 34.739 35.150 111.795 1.00 0.00 H ATOM 1456 H ASN B 53 32.558 33.731 115.271 1.00 0.00 H ATOM 1457 N PHE B 54 34.892 34.389 116.854 1.00 59.43 N ATOM 1458 CA PHE B 54 35.818 35.353 117.402 1.00 59.91 C ATOM 1459 C PHE B 54 37.089 34.724 118.017 1.00 60.74 C ATOM 1460 O PHE B 54 38.194 34.937 117.526 1.00 61.70 O ATOM 1461 CB PHE B 54 35.137 36.225 118.445 1.00 59.31 C ATOM 1462 CG PHE B 54 36.077 37.155 119.107 1.00 58.25 C ATOM 1463 CD1 PHE B 54 36.858 37.994 118.353 1.00 56.79 C ATOM 1464 CD2 PHE B 54 36.215 37.166 120.481 1.00 58.13 C ATOM 1465 CE1 PHE B 54 37.752 38.862 118.964 1.00 58.56 C ATOM 1466 CE2 PHE B 54 37.104 38.026 121.096 1.00 57.56 C ATOM 1467 CZ PHE B 54 37.878 38.871 120.336 1.00 57.11 C ATOM 1468 H PHE B 54 33.873 34.479 117.043 1.00 0.00 H ATOM 1469 N ILE B 55 36.924 34.006 119.122 1.00 61.48 N ATOM 1470 CA ILE B 55 38.029 33.375 119.828 1.00 62.25 C ATOM 1471 C ILE B 55 38.804 32.501 118.876 1.00 62.55 C ATOM 1472 O ILE B 55 40.038 32.561 118.807 1.00 63.10 O ATOM 1473 CB ILE B 55 37.496 32.459 120.974 1.00 62.76 C ATOM 1474 CG1 ILE B 55 37.068 33.301 122.182 1.00 62.80 C ATOM 1475 CG2 ILE B 55 38.536 31.412 121.386 1.00 61.61 C ATOM 1476 CD1 ILE B 55 36.593 32.467 123.326 1.00 63.80 C ATOM 1477 H ILE B 55 35.962 33.889 119.500 1.00 0.00 H ATOM 1478 N GLU B 56 38.060 31.679 118.150 1.00 62.32 N ATOM 1479 CA GLU B 56 38.638 30.677 117.288 1.00 62.43 C ATOM 1480 C GLU B 56 39.498 31.242 116.166 1.00 61.71 C ATOM 1481 O GLU B 56 40.461 30.612 115.757 1.00 61.94 O ATOM 1482 CB GLU B 56 37.531 29.814 116.705 1.00 62.93 C ATOM 1483 CG GLU B 56 38.005 28.926 115.581 1.00 66.79 C ATOM 1484 CD GLU B 56 37.002 27.836 115.259 1.00 72.38 C ATOM 1485 OE1 GLU B 56 37.054 27.272 114.146 1.00 73.66 O ATOM 1486 OE2 GLU B 56 36.157 27.543 116.134 1.00 76.48 O ATOM 1487 H GLU B 56 37.024 31.759 118.204 1.00 0.00 H ATOM 1488 N THR B 57 39.168 32.432 115.675 1.00 61.31 N ATOM 1489 CA THR B 57 39.849 33.001 114.503 1.00 60.29 C ATOM 1490 C THR B 57 40.588 34.329 114.748 1.00 61.02 C ATOM 1491 O THR B 57 41.195 34.882 113.829 1.00 61.45 O ATOM 1492 CB THR B 57 38.852 33.193 113.329 1.00 59.63 C ATOM 1493 OG1 THR B 57 37.911 34.217 113.656 1.00 56.52 O ATOM 1494 CG2 THR B 57 38.115 31.912 113.058 1.00 58.32 C ATOM 1495 HG1 THR B 57 37.412 33.957 114.471 1.00 0.00 H ATOM 1496 H THR B 57 38.408 32.975 116.132 1.00 0.00 H ATOM 1497 N CYS B 58 40.525 34.869 115.959 1.00 61.40 N ATOM 1498 CA CYS B 58 41.205 36.129 116.236 1.00 61.71 C ATOM 1499 C CYS B 58 42.211 35.889 117.326 1.00 62.58 C ATOM 1500 O CYS B 58 42.159 34.844 117.990 1.00 63.12 O ATOM 1501 CB CYS B 58 40.208 37.189 116.672 1.00 61.64 C ATOM 1502 SG CYS B 58 39.052 37.720 115.370 1.00 61.14 S ATOM 1503 H CYS B 58 39.989 34.392 116.712 1.00 0.00 H ATOM 1504 N ARG B 59 43.133 36.837 117.524 1.00 63.35 N ATOM 1505 CA ARG B 59 44.192 36.673 118.543 1.00 63.37 C ATOM 1506 C ARG B 59 44.839 37.987 119.001 1.00 64.29 C ATOM 1507 O ARG B 59 44.695 39.031 118.337 1.00 65.01 O ATOM 1508 CB ARG B 59 45.246 35.691 118.042 1.00 63.04 C ATOM 1509 CG ARG B 59 45.868 36.057 116.718 1.00 62.69 C ATOM 1510 CD ARG B 59 47.336 36.327 116.887 1.00 62.02 C ATOM 1511 NE ARG B 59 47.958 36.986 115.737 1.00 63.23 N ATOM 1512 CZ ARG B 59 48.583 36.355 114.743 1.00 62.56 C ATOM 1513 NH1 ARG B 59 48.652 35.029 114.721 1.00 62.36 N ATOM 1514 NH2 ARG B 59 49.131 37.054 113.761 1.00 62.13 N ATOM 1515 HE ARG B 59 47.908 38.024 115.692 1.00 0.00 H ATOM 1516 HH12 ARG B 59 49.142 34.547 113.941 1.00 0.00 H ATOM 1517 HH11 ARG B 59 48.216 34.473 115.484 1.00 0.00 H ATOM 1518 HH22 ARG B 59 49.619 36.565 112.984 1.00 0.00 H ATOM 1519 HH21 ARG B 59 49.073 38.092 113.767 1.00 0.00 H ATOM 1520 H ARG B 59 43.105 37.705 116.951 1.00 0.00 H ATOM 1521 N ASN B 60 45.530 37.951 120.146 1.00 64.41 N ATOM 1522 CA ASN B 60 46.157 39.161 120.726 1.00 64.65 C ATOM 1523 C ASN B 60 45.194 40.282 121.034 1.00 64.27 C ATOM 1524 O ASN B 60 45.439 41.421 120.647 1.00 64.26 O ATOM 1525 CB ASN B 60 47.227 39.748 119.806 1.00 64.72 C ATOM 1526 CG ASN B 60 48.119 38.695 119.211 1.00 66.44 C ATOM 1527 OD1 ASN B 60 48.330 37.632 119.799 1.00 66.49 O ATOM 1528 ND2 ASN B 60 48.652 38.980 118.023 1.00 69.38 N ATOM 1529 HD22 ASN B 60 48.445 39.891 117.565 1.00 0.00 H ATOM 1530 HD21 ASN B 60 49.275 38.292 117.554 1.00 0.00 H ATOM 1531 H ASN B 60 45.630 37.044 120.645 1.00 0.00 H ATOM 1532 N THR B 61 44.109 39.966 121.725 1.00 64.25 N ATOM 1533 CA THR B 61 43.119 40.971 122.051 1.00 64.22 C ATOM 1534 C THR B 61 43.691 41.900 123.106 1.00 64.37 C ATOM 1535 O THR B 61 44.443 41.484 123.969 1.00 64.20 O ATOM 1536 CB THR B 61 41.820 40.330 122.566 1.00 64.19 C ATOM 1537 OG1 THR B 61 42.053 39.735 123.847 1.00 64.76 O ATOM 1538 CG2 THR B 61 41.366 39.255 121.627 1.00 63.84 C ATOM 1539 HG1 THR B 61 41.215 39.323 124.176 1.00 0.00 H ATOM 1540 H THR B 61 43.967 38.984 122.037 1.00 0.00 H ATOM 1541 N GLN B 62 43.344 43.171 123.032 1.00 65.00 N ATOM 1542 CA GLN B 62 43.847 44.123 123.997 1.00 65.47 C ATOM 1543 C GLN B 62 42.977 45.361 123.961 1.00 65.57 C ATOM 1544 O GLN B 62 42.517 45.766 122.887 1.00 65.89 O ATOM 1545 CB GLN B 62 45.263 44.505 123.625 1.00 65.97 C ATOM 1546 CG GLN B 62 45.338 45.103 122.251 1.00 67.44 C ATOM 1547 CD GLN B 62 46.745 45.118 121.726 1.00 70.06 C ATOM 1548 OE1 GLN B 62 47.679 45.452 122.452 1.00 70.50 O ATOM 1549 NE2 GLN B 62 46.913 44.753 120.456 1.00 70.22 N ATOM 1550 HE22 GLN B 62 46.091 44.478 119.881 1.00 0.00 H ATOM 1551 HE21 GLN B 62 47.866 44.743 120.040 1.00 0.00 H ATOM 1552 H GLN B 62 42.705 43.490 122.276 1.00 0.00 H ATOM 1553 N LEU B 63 42.749 45.958 125.128 1.00 65.39 N ATOM 1554 CA LEU B 63 41.934 47.159 125.231 1.00 65.06 C ATOM 1555 C LEU B 63 42.727 48.445 124.963 1.00 64.96 C ATOM 1556 O LEU B 63 43.617 48.763 125.720 1.00 65.50 O ATOM 1557 CB LEU B 63 41.342 47.237 126.628 1.00 64.70 C ATOM 1558 CG LEU B 63 40.401 48.428 126.814 1.00 64.56 C ATOM 1559 CD1 LEU B 63 39.114 48.183 126.099 1.00 63.48 C ATOM 1560 CD2 LEU B 63 40.129 48.670 128.269 1.00 65.71 C ATOM 1561 H LEU B 63 43.165 45.555 125.991 1.00 0.00 H ATOM 1562 N ALA B 64 42.408 49.195 123.913 1.00 64.62 N ATOM 1563 CA ALA B 64 43.107 50.465 123.671 1.00 64.63 C ATOM 1564 C ALA B 64 42.262 51.677 124.066 1.00 64.67 C ATOM 1565 O ALA B 64 41.044 51.711 123.830 1.00 64.57 O ATOM 1566 CB ALA B 64 43.541 50.579 122.218 1.00 64.51 C ATOM 1567 H ALA B 64 41.661 48.882 123.260 1.00 0.00 H ATOM 1568 N GLY B 65 42.912 52.683 124.644 1.00 64.44 N ATOM 1569 CA GLY B 65 42.188 53.809 125.214 1.00 64.29 C ATOM 1570 C GLY B 65 41.250 53.203 126.228 1.00 64.64 C ATOM 1571 O GLY B 65 41.566 52.180 126.835 1.00 64.36 O ATOM 1572 H GLY B 65 43.951 52.665 124.689 1.00 0.00 H ATOM 1573 N SER B 66 40.079 53.807 126.389 1.00 65.10 N ATOM 1574 CA SER B 66 39.106 53.326 127.357 1.00 65.51 C ATOM 1575 C SER B 66 38.080 52.323 126.839 1.00 65.16 C ATOM 1576 O SER B 66 37.560 51.535 127.626 1.00 65.59 O ATOM 1577 CB SER B 66 38.379 54.498 128.017 1.00 65.56 C ATOM 1578 OG SER B 66 38.015 55.452 127.041 1.00 67.74 O ATOM 1579 HG SER B 66 37.545 56.206 127.478 1.00 0.00 H ATOM 1580 H SER B 66 39.853 54.641 125.811 1.00 0.00 H ATOM 1581 N SER B 67 37.766 52.333 125.551 1.00 64.70 N ATOM 1582 CA SER B 67 36.671 51.460 125.091 1.00 64.67 C ATOM 1583 C SER B 67 36.984 50.541 123.924 1.00 64.55 C ATOM 1584 O SER B 67 36.352 49.497 123.779 1.00 65.26 O ATOM 1585 CB SER B 67 35.398 52.263 124.790 1.00 64.32 C ATOM 1586 OG SER B 67 35.691 53.385 123.989 1.00 64.17 O ATOM 1587 HG SER B 67 34.857 53.887 123.808 1.00 0.00 H ATOM 1588 H SER B 67 38.279 52.942 124.882 1.00 0.00 H ATOM 1589 N GLU B 68 37.939 50.935 123.097 1.00 64.55 N ATOM 1590 CA GLU B 68 38.336 50.169 121.933 1.00 64.97 C ATOM 1591 C GLU B 68 38.922 48.815 122.273 1.00 64.59 C ATOM 1592 O GLU B 68 39.784 48.699 123.137 1.00 65.18 O ATOM 1593 CB GLU B 68 39.377 50.934 121.137 1.00 65.37 C ATOM 1594 CG GLU B 68 38.806 51.971 120.227 1.00 68.57 C ATOM 1595 CD GLU B 68 39.839 52.472 119.241 1.00 74.25 C ATOM 1596 OE1 GLU B 68 40.511 51.630 118.580 1.00 75.71 O ATOM 1597 OE2 GLU B 68 39.992 53.714 119.147 1.00 75.30 O ATOM 1598 H GLU B 68 38.426 51.833 123.291 1.00 0.00 H ATOM 1599 N LEU B 69 38.444 47.794 121.579 1.00 63.85 N ATOM 1600 CA LEU B 69 39.059 46.487 121.605 1.00 63.41 C ATOM 1601 C LEU B 69 39.886 46.286 120.329 1.00 63.65 C ATOM 1602 O LEU B 69 39.438 46.598 119.208 1.00 63.73 O ATOM 1603 CB LEU B 69 37.993 45.395 121.740 1.00 63.19 C ATOM 1604 CG LEU B 69 38.360 44.030 121.156 1.00 62.34 C ATOM 1605 CD1 LEU B 69 39.744 43.663 121.600 1.00 63.07 C ATOM 1606 CD2 LEU B 69 37.382 42.958 121.541 1.00 59.26 C ATOM 1607 H LEU B 69 37.596 47.938 120.995 1.00 0.00 H ATOM 1608 N ALA B 70 41.109 45.786 120.488 1.00 63.42 N ATOM 1609 CA ALA B 70 41.923 45.494 119.315 1.00 63.03 C ATOM 1610 C ALA B 70 42.305 44.025 119.261 1.00 62.71 C ATOM 1611 O ALA B 70 42.492 43.399 120.298 1.00 63.08 O ATOM 1612 CB ALA B 70 43.149 46.383 119.280 1.00 62.72 C ATOM 1613 H ALA B 70 41.481 45.605 121.442 1.00 0.00 H ATOM 1614 N ALA B 71 42.404 43.477 118.054 1.00 62.43 N ATOM 1615 CA ALA B 71 42.917 42.132 117.863 1.00 62.22 C ATOM 1616 C ALA B 71 43.444 41.927 116.441 1.00 62.51 C ATOM 1617 O ALA B 71 43.421 42.843 115.619 1.00 62.55 O ATOM 1618 CB ALA B 71 41.865 41.144 118.175 1.00 62.25 C ATOM 1619 H ALA B 71 42.106 44.027 117.223 1.00 0.00 H ATOM 1620 N GLU B 72 43.945 40.730 116.155 1.00 62.62 N ATOM 1621 CA GLU B 72 44.285 40.373 114.795 1.00 62.62 C ATOM 1622 C GLU B 72 43.386 39.213 114.481 1.00 62.50 C ATOM 1623 O GLU B 72 43.168 38.356 115.345 1.00 62.83 O ATOM 1624 CB GLU B 72 45.749 39.961 114.679 1.00 63.11 C ATOM 1625 CG GLU B 72 46.744 41.125 114.710 1.00 64.72 C ATOM 1626 CD GLU B 72 47.990 40.783 115.512 1.00 68.48 C ATOM 1627 OE1 GLU B 72 48.540 39.667 115.323 1.00 69.80 O ATOM 1628 OE2 GLU B 72 48.407 41.617 116.355 1.00 69.03 O ATOM 1629 H GLU B 72 44.095 40.041 116.919 1.00 0.00 H ATOM 1630 N CYS B 73 42.852 39.192 113.256 1.00 62.18 N ATOM 1631 CA CYS B 73 41.886 38.179 112.850 1.00 61.48 C ATOM 1632 C CYS B 73 42.172 37.596 111.475 1.00 61.54 C ATOM 1633 O CYS B 73 42.524 38.311 110.564 1.00 61.64 O ATOM 1634 CB CYS B 73 40.470 38.771 112.893 1.00 61.99 C ATOM 1635 SG CYS B 73 39.938 39.345 114.560 1.00 59.20 S ATOM 1636 H CYS B 73 43.135 39.922 112.571 1.00 0.00 H ATOM 1637 N LYS B 74 42.044 36.279 111.344 1.00 61.71 N ATOM 1638 CA LYS B 74 42.088 35.611 110.040 1.00 61.74 C ATOM 1639 C LYS B 74 41.018 36.080 109.026 1.00 61.93 C ATOM 1640 O LYS B 74 39.799 36.009 109.268 1.00 61.30 O ATOM 1641 CB LYS B 74 42.040 34.092 110.209 1.00 61.58 C ATOM 1642 CG LYS B 74 43.422 33.461 110.420 1.00 63.36 C ATOM 1643 CD LYS B 74 43.353 32.158 111.217 1.00 66.66 C ATOM 1644 CE LYS B 74 43.301 30.910 110.321 1.00 67.65 C ATOM 1645 NZ LYS B 74 44.216 29.847 110.877 1.00 68.65 N ATOM 1646 HZ1 LYS B 74 45.190 30.211 110.907 1.00 0.00 H ATOM 1647 HZ2 LYS B 74 43.909 29.595 111.838 1.00 0.00 H ATOM 1648 HZ3 LYS B 74 44.178 29.005 110.268 1.00 0.00 H ATOM 1649 H LYS B 74 41.908 35.702 112.198 1.00 0.00 H ATOM 1650 N THR B 75 41.503 36.565 107.883 1.00 62.45 N ATOM 1651 CA THR B 75 40.654 36.881 106.744 1.00 62.25 C ATOM 1652 C THR B 75 40.270 35.554 106.148 1.00 62.97 C ATOM 1653 O THR B 75 40.947 34.552 106.380 1.00 62.80 O ATOM 1654 CB THR B 75 41.427 37.609 105.659 1.00 61.83 C ATOM 1655 OG1 THR B 75 42.191 36.642 104.928 1.00 61.45 O ATOM 1656 CG2 THR B 75 42.349 38.657 106.258 1.00 60.18 C ATOM 1657 HG1 THR B 75 41.579 35.977 104.523 1.00 0.00 H ATOM 1658 H THR B 75 42.528 36.724 107.802 1.00 0.00 H ATOM 1659 N ARG B 76 39.192 35.538 105.373 1.00 63.98 N ATOM 1660 CA ARG B 76 38.757 34.311 104.734 1.00 64.52 C ATOM 1661 C ARG B 76 39.922 33.618 104.045 1.00 65.38 C ATOM 1662 O ARG B 76 39.915 32.411 103.872 1.00 65.83 O ATOM 1663 CB ARG B 76 37.639 34.593 103.738 1.00 64.42 C ATOM 1664 CG ARG B 76 36.290 34.701 104.409 1.00 65.34 C ATOM 1665 CD ARG B 76 35.124 34.436 103.467 1.00 64.58 C ATOM 1666 NE ARG B 76 34.785 33.021 103.351 1.00 63.44 N ATOM 1667 CZ ARG B 76 34.848 32.319 102.220 1.00 64.33 C ATOM 1668 NH1 ARG B 76 35.247 32.880 101.075 1.00 63.83 N ATOM 1669 NH2 ARG B 76 34.505 31.042 102.232 1.00 65.05 N ATOM 1670 HE ARG B 76 34.473 32.526 104.211 1.00 0.00 H ATOM 1671 HH12 ARG B 76 35.288 32.312 100.205 1.00 0.00 H ATOM 1672 HH11 ARG B 76 35.516 33.884 101.054 1.00 0.00 H ATOM 1673 HH22 ARG B 76 34.550 30.483 101.356 1.00 0.00 H ATOM 1674 HH21 ARG B 76 34.190 30.596 103.117 1.00 0.00 H ATOM 1675 H ARG B 76 38.654 36.415 105.223 1.00 0.00 H ATOM 1676 N ALA B 77 40.921 34.388 103.645 1.00 66.18 N ATOM 1677 CA ALA B 77 42.078 33.828 102.991 1.00 67.02 C ATOM 1678 C ALA B 77 43.048 33.331 104.037 1.00 67.79 C ATOM 1679 O ALA B 77 44.232 33.205 103.758 1.00 68.69 O ATOM 1680 CB ALA B 77 42.765 34.898 102.123 1.00 66.92 C ATOM 1681 H ALA B 77 40.871 35.414 103.805 1.00 0.00 H ATOM 1682 N GLN B 78 42.584 33.100 105.258 1.00 68.22 N ATOM 1683 CA GLN B 78 43.490 32.617 106.324 1.00 68.62 C ATOM 1684 C GLN B 78 44.673 33.549 106.683 1.00 68.59 C ATOM 1685 O GLN B 78 45.667 33.123 107.265 1.00 68.65 O ATOM 1686 CB GLN B 78 44.009 31.226 105.975 1.00 68.42 C ATOM 1687 CG GLN B 78 42.903 30.247 105.665 1.00 69.90 C ATOM 1688 CD GLN B 78 41.852 30.205 106.768 1.00 72.83 C ATOM 1689 OE1 GLN B 78 42.161 29.928 107.939 1.00 73.65 O ATOM 1690 NE2 GLN B 78 40.602 30.483 106.402 1.00 72.53 N ATOM 1691 HE22 GLN B 78 40.389 30.710 105.410 1.00 0.00 H ATOM 1692 HE21 GLN B 78 39.839 30.473 107.109 1.00 0.00 H ATOM 1693 H GLN B 78 41.578 33.259 105.467 1.00 0.00 H ATOM 1694 N GLN B 79 44.549 34.827 106.371 1.00 68.62 N ATOM 1695 CA GLN B 79 45.586 35.780 106.740 1.00 69.01 C ATOM 1696 C GLN B 79 45.185 36.571 107.988 1.00 68.66 C ATOM 1697 O GLN B 79 44.028 36.988 108.121 1.00 69.35 O ATOM 1698 CB GLN B 79 45.863 36.733 105.571 1.00 69.13 C ATOM 1699 CG GLN B 79 46.338 36.021 104.289 1.00 71.55 C ATOM 1700 CD GLN B 79 47.763 35.510 104.413 1.00 73.51 C ATOM 1701 OE1 GLN B 79 48.006 34.302 104.393 1.00 75.10 O ATOM 1702 NE2 GLN B 79 48.715 36.432 104.554 1.00 73.91 N ATOM 1703 HE22 GLN B 79 48.464 37.441 104.565 1.00 0.00 H ATOM 1704 HE21 GLN B 79 49.709 36.142 104.653 1.00 0.00 H ATOM 1705 H GLN B 79 43.705 35.154 105.859 1.00 0.00 H ATOM 1706 N PHE B 80 46.126 36.788 108.903 1.00 67.68 N ATOM 1707 CA PHE B 80 45.851 37.610 110.079 1.00 66.49 C ATOM 1708 C PHE B 80 45.960 39.082 109.767 1.00 66.53 C ATOM 1709 O PHE B 80 46.949 39.527 109.204 1.00 66.65 O ATOM 1710 CB PHE B 80 46.801 37.255 111.220 1.00 66.20 C ATOM 1711 CG PHE B 80 46.320 36.113 112.048 1.00 64.20 C ATOM 1712 CD1 PHE B 80 45.482 36.329 113.127 1.00 62.72 C ATOM 1713 CD2 PHE B 80 46.656 34.823 111.724 1.00 61.40 C ATOM 1714 CE1 PHE B 80 45.010 35.265 113.876 1.00 61.30 C ATOM 1715 CE2 PHE B 80 46.188 33.770 112.470 1.00 60.85 C ATOM 1716 CZ PHE B 80 45.360 33.993 113.541 1.00 60.53 C ATOM 1717 H PHE B 80 47.069 36.367 108.780 1.00 0.00 H ATOM 1718 N VAL B 81 44.938 39.848 110.129 1.00 66.55 N ATOM 1719 CA VAL B 81 44.998 41.296 109.950 1.00 65.96 C ATOM 1720 C VAL B 81 44.648 42.016 111.244 1.00 66.12 C ATOM 1721 O VAL B 81 44.092 41.426 112.154 1.00 66.34 O ATOM 1722 CB VAL B 81 44.083 41.767 108.809 1.00 66.19 C ATOM 1723 CG1 VAL B 81 44.729 41.464 107.465 1.00 65.58 C ATOM 1724 CG2 VAL B 81 42.700 41.116 108.913 1.00 64.01 C ATOM 1725 H VAL B 81 44.089 39.414 110.543 1.00 0.00 H ATOM 1726 N SER B 82 45.018 43.285 111.336 1.00 66.24 N ATOM 1727 CA SER B 82 44.675 44.105 112.488 1.00 66.05 C ATOM 1728 C SER B 82 43.219 44.471 112.374 1.00 65.40 C ATOM 1729 O SER B 82 42.638 44.434 111.291 1.00 65.51 O ATOM 1730 CB SER B 82 45.497 45.396 112.508 1.00 66.24 C ATOM 1731 OG SER B 82 46.845 45.118 112.849 1.00 68.57 O ATOM 1732 HG SER B 82 47.363 45.962 112.858 1.00 0.00 H ATOM 1733 H SER B 82 45.570 43.707 110.562 1.00 0.00 H ATOM 1734 N THR B 83 42.630 44.864 113.491 1.00 64.34 N ATOM 1735 CA THR B 83 41.211 45.160 113.494 1.00 62.83 C ATOM 1736 C THR B 83 40.841 45.654 114.889 1.00 62.22 C ATOM 1737 O THR B 83 41.478 45.303 115.866 1.00 61.68 O ATOM 1738 CB THR B 83 40.388 43.915 113.078 1.00 62.33 C ATOM 1739 OG1 THR B 83 39.042 44.300 112.832 1.00 62.58 O ATOM 1740 CG2 THR B 83 40.405 42.856 114.152 1.00 61.20 C ATOM 1741 HG1 THR B 83 38.516 43.505 112.566 1.00 0.00 H ATOM 1742 H THR B 83 43.184 44.961 114.366 1.00 0.00 H ATOM 1743 N LYS B 84 39.847 46.513 114.973 1.00 61.40 N ATOM 1744 CA LYS B 84 39.396 46.955 116.259 1.00 61.01 C ATOM 1745 C LYS B 84 37.937 47.332 116.142 1.00 59.68 C ATOM 1746 O LYS B 84 37.410 47.474 115.057 1.00 58.91 O ATOM 1747 CB LYS B 84 40.200 48.167 116.714 1.00 61.64 C ATOM 1748 CG LYS B 84 39.568 49.477 116.270 1.00 63.76 C ATOM 1749 CD LYS B 84 40.250 50.715 116.904 1.00 67.74 C ATOM 1750 CE LYS B 84 41.763 50.574 116.928 1.00 69.56 C ATOM 1751 NZ LYS B 84 42.159 49.536 115.958 1.00 70.60 N ATOM 1752 HZ1 LYS B 84 41.716 48.632 116.219 1.00 0.00 H ATOM 1753 HZ2 LYS B 84 41.846 49.815 115.006 1.00 0.00 H ATOM 1754 HZ3 LYS B 84 43.194 49.432 115.967 1.00 0.00 H ATOM 1755 H LYS B 84 39.391 46.869 114.109 1.00 0.00 H ATOM 1756 N ILE B 85 37.293 47.498 117.286 1.00 58.69 N ATOM 1757 CA ILE B 85 35.886 47.793 117.339 1.00 57.04 C ATOM 1758 C ILE B 85 35.648 48.549 118.641 1.00 57.10 C ATOM 1759 O ILE B 85 36.286 48.264 119.652 1.00 56.75 O ATOM 1760 CB ILE B 85 35.096 46.496 117.327 1.00 56.69 C ATOM 1761 CG1 ILE B 85 33.597 46.774 117.231 1.00 55.58 C ATOM 1762 CG2 ILE B 85 35.446 45.655 118.548 1.00 55.87 C ATOM 1763 CD1 ILE B 85 32.791 45.508 117.089 1.00 54.57 C ATOM 1764 H ILE B 85 37.822 47.412 118.177 1.00 0.00 H ATOM 1765 N ASN B 86 34.755 49.530 118.620 1.00 56.61 N ATOM 1766 CA ASN B 86 34.530 50.330 119.802 1.00 56.17 C ATOM 1767 C ASN B 86 33.494 49.701 120.708 1.00 55.75 C ATOM 1768 O ASN B 86 32.308 49.636 120.385 1.00 54.44 O ATOM 1769 CB ASN B 86 34.157 51.761 119.439 1.00 56.47 C ATOM 1770 CG ASN B 86 34.000 52.634 120.652 1.00 57.24 C ATOM 1771 OD1 ASN B 86 33.834 52.137 121.763 1.00 60.38 O ATOM 1772 ND2 ASN B 86 34.045 53.935 120.456 1.00 57.58 N ATOM 1773 HD22 ASN B 86 34.188 54.312 119.497 1.00 0.00 H ATOM 1774 HD21 ASN B 86 33.938 54.586 121.260 1.00 0.00 H ATOM 1775 H ASN B 86 34.216 49.723 117.752 1.00 0.00 H ATOM 1776 N LEU B 87 33.963 49.211 121.848 1.00 55.60 N ATOM 1777 CA LEU B 87 33.115 48.416 122.705 1.00 55.44 C ATOM 1778 C LEU B 87 32.017 49.272 123.295 1.00 55.39 C ATOM 1779 O LEU B 87 30.996 48.775 123.801 1.00 55.05 O ATOM 1780 CB LEU B 87 33.953 47.792 123.798 1.00 55.72 C ATOM 1781 CG LEU B 87 34.753 46.579 123.332 1.00 55.71 C ATOM 1782 CD1 LEU B 87 35.249 45.852 124.541 1.00 56.85 C ATOM 1783 CD2 LEU B 87 33.890 45.676 122.545 1.00 54.14 C ATOM 1784 H LEU B 87 34.947 49.400 122.126 1.00 0.00 H ATOM 1785 N ASP B 88 32.247 50.572 123.222 1.00 55.35 N ATOM 1786 CA ASP B 88 31.290 51.558 123.673 1.00 56.20 C ATOM 1787 C ASP B 88 29.965 51.552 122.903 1.00 56.84 C ATOM 1788 O ASP B 88 28.919 51.901 123.469 1.00 57.96 O ATOM 1789 CB ASP B 88 31.917 52.949 123.635 1.00 55.60 C ATOM 1790 CG ASP B 88 32.185 53.491 125.029 1.00 55.92 C ATOM 1791 OD1 ASP B 88 31.685 52.872 125.993 1.00 53.47 O ATOM 1792 OD2 ASP B 88 32.861 54.540 125.160 1.00 55.57 O ATOM 1793 H ASP B 88 33.151 50.898 122.825 1.00 0.00 H ATOM 1794 N ASP B 89 30.015 51.177 121.626 1.00 56.45 N ATOM 1795 CA ASP B 89 28.831 51.112 120.786 1.00 56.30 C ATOM 1796 C ASP B 89 27.707 50.333 121.435 1.00 56.12 C ATOM 1797 O ASP B 89 26.550 50.735 121.352 1.00 56.80 O ATOM 1798 CB ASP B 89 29.133 50.466 119.424 1.00 56.04 C ATOM 1799 CG ASP B 89 30.117 51.256 118.607 1.00 56.04 C ATOM 1800 OD1 ASP B 89 30.432 52.414 118.985 1.00 56.58 O ATOM 1801 OD2 ASP B 89 30.578 50.713 117.584 1.00 53.63 O ATOM 1802 H ASP B 89 30.935 50.921 121.215 1.00 0.00 H ATOM 1803 N HIS B 90 28.016 49.206 122.054 1.00 55.62 N ATOM 1804 CA HIS B 90 26.932 48.378 122.570 1.00 55.63 C ATOM 1805 C HIS B 90 27.125 47.783 123.947 1.00 55.26 C ATOM 1806 O HIS B 90 26.207 47.144 124.467 1.00 55.00 O ATOM 1807 CB HIS B 90 26.600 47.249 121.605 1.00 56.36 C ATOM 1808 CG HIS B 90 25.957 47.708 120.333 1.00 57.49 C ATOM 1809 ND1 HIS B 90 26.682 48.092 119.227 1.00 57.66 N ATOM 1810 CD2 HIS B 90 24.654 47.817 119.983 1.00 58.45 C ATOM 1811 CE1 HIS B 90 25.856 48.428 118.252 1.00 58.76 C ATOM 1812 NE2 HIS B 90 24.619 48.265 118.683 1.00 58.51 N ATOM 1813 H HIS B 90 29.008 48.917 122.170 1.00 0.00 H ATOM 1814 N ILE B 91 28.299 47.958 124.542 1.00 55.09 N ATOM 1815 CA ILE B 91 28.473 47.508 125.916 1.00 55.35 C ATOM 1816 C ILE B 91 28.092 48.641 126.841 1.00 55.87 C ATOM 1817 O ILE B 91 28.722 49.699 126.795 1.00 55.45 O ATOM 1818 CB ILE B 91 29.918 47.065 126.236 1.00 55.07 C ATOM 1819 CG1 ILE B 91 30.339 45.867 125.381 1.00 54.22 C ATOM 1820 CG2 ILE B 91 30.007 46.673 127.674 1.00 53.81 C ATOM 1821 CD1 ILE B 91 29.289 44.785 125.272 1.00 49.98 C ATOM 1822 H ILE B 91 29.085 48.411 124.033 1.00 0.00 H ATOM 1823 N ALA B 92 27.062 48.434 127.667 1.00 56.79 N ATOM 1824 CA ALA B 92 26.647 49.483 128.604 1.00 57.98 C ATOM 1825 C ALA B 92 26.738 49.086 130.076 1.00 58.86 C ATOM 1826 O ALA B 92 26.692 47.901 130.424 1.00 58.73 O ATOM 1827 CB ALA B 92 25.246 50.011 128.274 1.00 58.18 C ATOM 1828 H ALA B 92 26.554 47.527 127.645 1.00 0.00 H ATOM 1829 N ASN B 93 26.885 50.098 130.929 1.00 59.85 N ATOM 1830 CA ASN B 93 26.886 49.913 132.362 1.00 60.89 C ATOM 1831 C ASN B 93 25.468 50.033 132.875 1.00 61.65 C ATOM 1832 O ASN B 93 24.914 51.141 132.956 1.00 62.07 O ATOM 1833 CB ASN B 93 27.779 50.950 133.040 1.00 60.85 C ATOM 1834 CG ASN B 93 27.515 51.068 134.537 1.00 61.71 C ATOM 1835 OD1 ASN B 93 27.025 50.135 135.183 1.00 62.60 O ATOM 1836 ND2 ASN B 93 27.831 52.228 135.090 1.00 63.13 N ATOM 1837 HD22 ASN B 93 28.241 52.986 134.509 1.00 0.00 H ATOM 1838 HD21 ASN B 93 27.669 52.381 136.106 1.00 0.00 H ATOM 1839 H ASN B 93 27.004 51.059 130.549 1.00 0.00 H ATOM 1840 N ILE B 94 24.872 48.890 133.194 1.00 62.06 N ATOM 1841 CA ILE B 94 23.542 48.869 133.768 1.00 62.62 C ATOM 1842 C ILE B 94 23.626 48.617 135.278 1.00 63.43 C ATOM 1843 O ILE B 94 23.810 47.466 135.754 1.00 62.96 O ATOM 1844 CB ILE B 94 22.651 47.823 133.108 1.00 62.55 C ATOM 1845 CG1 ILE B 94 22.591 48.081 131.611 1.00 61.77 C ATOM 1846 CG2 ILE B 94 21.253 47.866 133.714 1.00 62.40 C ATOM 1847 CD1 ILE B 94 22.104 49.459 131.271 1.00 61.25 C ATOM 1848 H ILE B 94 25.370 47.992 133.028 1.00 0.00 H ATOM 1849 N ASP B 95 23.491 49.728 136.001 1.00 63.72 N ATOM 1850 CA ASP B 95 23.547 49.761 137.440 1.00 64.45 C ATOM 1851 C ASP B 95 24.711 48.917 137.977 1.00 64.72 C ATOM 1852 O ASP B 95 24.538 48.108 138.899 1.00 64.82 O ATOM 1853 CB ASP B 95 22.217 49.307 138.036 1.00 64.63 C ATOM 1854 CG ASP B 95 22.111 49.624 139.507 1.00 65.41 C ATOM 1855 OD1 ASP B 95 22.320 50.803 139.867 1.00 66.73 O ATOM 1856 OD2 ASP B 95 21.817 48.698 140.296 1.00 66.89 O ATOM 1857 H ASP B 95 23.336 50.624 135.497 1.00 0.00 H ATOM 1858 N GLY B 96 25.892 49.112 137.397 1.00 64.68 N ATOM 1859 CA GLY B 96 27.096 48.494 137.917 1.00 64.49 C ATOM 1860 C GLY B 96 27.500 47.233 137.184 1.00 64.70 C ATOM 1861 O GLY B 96 28.589 46.710 137.418 1.00 64.93 O ATOM 1862 H GLY B 96 25.953 49.719 136.555 1.00 0.00 H ATOM 1863 N THR B 97 26.633 46.736 136.302 1.00 64.36 N ATOM 1864 CA THR B 97 26.948 45.531 135.534 1.00 63.89 C ATOM 1865 C THR B 97 27.036 45.821 134.033 1.00 63.39 C ATOM 1866 O THR B 97 26.192 46.538 133.468 1.00 62.52 O ATOM 1867 CB THR B 97 25.919 44.415 135.781 1.00 64.08 C ATOM 1868 OG1 THR B 97 25.735 44.275 137.185 1.00 64.84 O ATOM 1869 CG2 THR B 97 26.395 43.063 135.198 1.00 63.94 C ATOM 1870 HG1 THR B 97 25.074 43.559 137.360 1.00 0.00 H ATOM 1871 H THR B 97 25.719 47.212 136.158 1.00 0.00 H ATOM 1872 N LEU B 98 28.089 45.282 133.415 1.00 62.86 N ATOM 1873 CA LEU B 98 28.316 45.421 131.976 1.00 62.34 C ATOM 1874 C LEU B 98 27.298 44.556 131.263 1.00 61.71 C ATOM 1875 O LEU B 98 27.038 43.437 131.673 1.00 61.93 O ATOM 1876 CB LEU B 98 29.724 44.969 131.608 1.00 62.08 C ATOM 1877 CG LEU B 98 30.922 45.709 132.206 1.00 61.70 C ATOM 1878 CD1 LEU B 98 32.227 44.973 131.871 1.00 59.88 C ATOM 1879 CD2 LEU B 98 30.984 47.143 131.722 1.00 60.08 C ATOM 1880 H LEU B 98 28.776 44.742 133.979 1.00 0.00 H ATOM 1881 N LYS B 99 26.706 45.086 130.209 1.00 61.24 N ATOM 1882 CA LYS B 99 25.580 44.427 129.566 1.00 60.67 C ATOM 1883 C LYS B 99 25.686 44.684 128.086 1.00 60.36 C ATOM 1884 O LYS B 99 26.111 45.765 127.662 1.00 59.88 O ATOM 1885 CB LYS B 99 24.268 44.972 130.124 1.00 60.68 C ATOM 1886 CG LYS B 99 23.859 44.355 131.467 1.00 61.56 C ATOM 1887 CD LYS B 99 22.790 43.266 131.266 1.00 64.51 C ATOM 1888 CE LYS B 99 22.868 42.196 132.351 1.00 68.17 C ATOM 1889 NZ LYS B 99 22.700 42.843 133.697 1.00 70.55 N ATOM 1890 HZ1 LYS B 99 23.456 43.542 133.841 1.00 0.00 H ATOM 1891 HZ2 LYS B 99 21.775 43.317 133.739 1.00 0.00 H ATOM 1892 HZ3 LYS B 99 22.753 42.116 134.439 1.00 0.00 H ATOM 1893 H LYS B 99 27.051 45.991 129.831 1.00 0.00 H ATOM 1894 N TYR B 100 25.368 43.661 127.301 1.00 60.74 N ATOM 1895 CA TYR B 100 25.300 43.796 125.858 1.00 60.61 C ATOM 1896 C TYR B 100 23.910 44.305 125.488 1.00 61.07 C ATOM 1897 O TYR B 100 22.894 43.652 125.760 1.00 61.32 O ATOM 1898 CB TYR B 100 25.551 42.445 125.191 1.00 60.81 C ATOM 1899 CG TYR B 100 25.609 42.492 123.658 1.00 61.07 C ATOM 1900 CD1 TYR B 100 26.003 43.654 122.988 1.00 59.96 C ATOM 1901 CD2 TYR B 100 25.304 41.373 122.895 1.00 60.05 C ATOM 1902 CE1 TYR B 100 26.075 43.709 121.623 1.00 58.20 C ATOM 1903 CE2 TYR B 100 25.374 41.423 121.510 1.00 60.22 C ATOM 1904 CZ TYR B 100 25.765 42.595 120.883 1.00 58.66 C ATOM 1905 OH TYR B 100 25.845 42.646 119.507 1.00 58.02 O ATOM 1906 HH TYR B 100 24.956 42.451 119.118 1.00 0.00 H ATOM 1907 H TYR B 100 25.162 42.737 127.733 1.00 0.00 H ATOM 1908 N GLU B 101 23.863 45.493 124.902 1.00 61.07 N ATOM 1909 CA GLU B 101 22.644 46.028 124.323 1.00 61.13 C ATOM 1910 C GLU B 101 23.076 46.826 123.096 1.00 60.93 C ATOM 1911 O GLU B 101 22.684 46.540 121.979 1.00 60.73 O ATOM 1912 CB GLU B 101 21.986 46.988 125.298 1.00 61.50 C ATOM 1913 CG GLU B 101 22.768 48.326 125.405 1.00 62.84 C ATOM 1914 CD GLU B 101 21.995 49.417 126.117 1.00 63.30 C ATOM 1915 OE1 GLU B 101 21.000 49.073 126.769 1.00 64.56 O ATOM 1916 OE2 GLU B 101 22.376 50.607 126.040 1.00 63.34 O ATOM 1917 H GLU B 101 24.732 46.063 124.855 1.00 0.00 H TER 1918 GLU B 101 HETATM 1919 MG MG A 1 26.269 35.719 119.986 1.00 49.65 MG HETATM 1920 O HOH 2 35.902 46.633 108.101 1.00 52.89 O HETATM 1921 O HOH 3 5.774 37.822 127.752 1.00 54.61 O HETATM 1922 O HOH 4 15.331 40.336 116.510 1.00 56.68 O HETATM 1923 O HOH 5 33.946 33.587 120.504 1.00 62.65 O HETATM 1924 O HOH 6 30.190 32.516 128.858 1.00 63.95 O HETATM 1925 O HOH 7 31.023 46.557 136.180 1.00 65.05 O HETATM 1926 O HOH 8 29.912 41.155 139.729 1.00 77.96 O HETATM 1927 O HOH 9 38.417 49.952 142.004 1.00 62.65 O HETATM 1928 O HOH 10 4.701 26.974 126.313 1.00 68.31 O HETATM 1929 O HOH 11 36.951 51.644 130.336 1.00 59.75 O HETATM 1930 O HOH 12 11.899 35.263 131.735 1.00 67.80 O HETATM 1931 O HOH 13 32.885 45.068 143.101 1.00 63.02 O HETATM 1932 O HOH 14 32.283 39.502 137.228 1.00 83.74 O HETATM 1933 O HOH 15 26.632 44.242 113.524 1.00 72.02 O HETATM 1934 O HOH 16 15.465 49.169 132.892 1.00 78.50 O HETATM 1935 O HOH 17 43.328 35.766 131.975 1.00 87.07 O HETATM 1936 O HOH 18 3.139 38.490 113.108 1.00 67.35 O HETATM 1937 O HOH 19 10.630 56.713 136.479 1.00 80.19 O HETATM 1938 O HOH 20 25.257 57.096 141.768 1.00 73.54 O HETATM 1939 O HOH 21 33.740 55.673 122.755 1.00 60.45 O HETATM 1940 O HOH 22 24.391 37.386 119.796 1.00 51.73 O HETATM 1941 O HOH 23 33.131 50.316 116.553 1.00 61.31 O HETATM 1942 O HOH 24 28.393 50.707 115.675 1.00 49.56 O HETATM 1943 O HOH 25 7.150 28.797 110.022 1.00 65.38 O HETATM 1944 O HOH 26 40.945 55.211 128.920 1.00 88.95 O HETATM 1945 O HOH 27 27.615 33.359 119.250 1.00 56.16 O HETATM 1946 O HOH 28 31.803 29.046 115.665 1.00 90.79 O HETATM 1947 O HOH 29 10.961 23.467 119.329 1.00 63.65 O HETATM 1948 O HOH 30 22.272 42.889 121.520 1.00 59.57 O HETATM 1949 O HOH 31 25.729 37.149 127.746 1.00 65.91 O HETATM 1950 O HOH 32 31.595 30.862 101.651 1.00 69.60 O HETATM 1951 O HOH 33 19.020 38.784 122.595 1.00 60.15 O HETATM 1952 O HOH 34 37.059 51.972 117.873 1.00 70.45 O HETATM 1953 O HOH 35 45.038 45.469 126.712 1.00 54.10 O HETATM 1954 O HOH 36 39.141 26.867 143.141 1.00 76.73 O HETATM 1955 O HOH 37 34.482 22.016 147.096 1.00 85.49 O HETATM 1956 O HOH 38 37.033 51.031 115.427 1.00 65.29 O HETATM 1957 O HOH 39 35.116 29.691 114.129 1.00 94.95 O HETATM 1958 O HOH 40 50.152 38.397 106.684 1.00 88.25 O HETATM 1959 O HOH 41 19.151 24.637 141.296 1.00123.43 O HETATM 1960 O HOH 42 23.896 44.836 117.474 1.00 53.67 O HETATM 1961 O HOH 43 19.019 22.385 119.788 1.00 90.22 O HETATM 1962 O HOH 44 36.091 31.195 118.518 1.00 63.45 O HETATM 1963 O HOH 45 26.411 41.374 130.186 1.00 90.59 O HETATM 1964 O HOH 46 19.033 39.794 128.239 1.00 76.21 O HETATM 1965 C1 NON A 47 15.361 64.496 142.225 1.00 0.18 C HETATM 1966 C2 NON A 47 14.383 64.289 141.036 1.00 0.12 C HETATM 1967 C3 NON A 47 14.918 64.904 139.726 1.00 0.11 C HETATM 1968 C4 NON A 47 16.390 64.563 139.370 1.00 0.12 C HETATM 1969 C5 NON A 47 17.219 64.236 140.643 1.00 0.11 C HETATM 1970 C6 NON A 47 18.667 64.717 140.507 1.00 0.07 C HETATM 1971 O6 NON A 47 19.464 63.613 140.121 1.00 -0.39 O HETATM 1972 H NON A 47 19.152 63.274 139.290 1.00 0.21 H HETATM 1973 H NON A 47 19.020 65.113 141.471 1.00 0.06 H HETATM 1974 H NON A 47 18.727 65.505 139.743 1.00 0.06 H HETATM 1975 O5 NON A 47 16.698 64.844 141.829 1.00 -0.34 O HETATM 1976 H NON A 47 17.214 63.144 140.775 1.00 0.06 H HETATM 1977 O4 NON A 47 16.317 63.534 138.352 1.00 -0.34 O HETATM 1978 C1 NON A 47 17.505 62.990 137.647 1.00 0.19 C HETATM 1979 C2 NON A 47 18.521 63.964 136.984 1.00 0.12 C HETATM 1980 C3 NON A 47 19.515 63.161 136.103 1.00 0.11 C HETATM 1981 C4 NON A 47 20.116 62.028 136.990 1.00 0.12 C HETATM 1982 C5 NON A 47 18.934 61.125 137.358 1.00 0.11 C HETATM 1983 C6 NON A 47 19.334 59.776 137.969 1.00 0.07 C HETATM 1984 O6 NON A 47 20.741 59.697 138.014 1.00 -0.39 O HETATM 1985 H NON A 47 21.089 59.768 137.133 1.00 0.21 H HETATM 1986 H NON A 47 18.937 58.958 137.350 1.00 0.06 H HETATM 1987 H NON A 47 18.927 59.696 138.988 1.00 0.06 H HETATM 1988 O5 NON A 47 18.179 61.899 138.289 1.00 -0.34 O HETATM 1989 H NON A 47 18.334 60.927 136.458 1.00 0.06 H HETATM 1990 O4 NON A 47 21.374 61.388 136.646 1.00 -0.34 O HETATM 1991 C1 NON A 47 21.517 60.387 135.571 1.00 0.19 C HETATM 1992 C2 NON A 47 21.359 58.891 135.962 1.00 0.13 C HETATM 1993 C3 NON A 47 21.859 58.057 134.761 1.00 0.12 C HETATM 1994 C4 NON A 47 20.972 58.355 133.543 1.00 0.11 C HETATM 1995 C5 NON A 47 20.328 59.771 133.510 1.00 0.11 C HETATM 1996 C6 NON A 47 18.838 59.826 133.841 1.00 0.08 C HETATM 1997 O6 NON A 47 18.276 58.808 133.061 1.00 -0.35 O HETATM 1998 C1 NON A 47 17.128 59.252 132.320 1.00 0.19 C HETATM 1999 C2 NON A 47 16.148 58.083 132.421 1.00 0.13 C HETATM 2000 C3 NON A 47 16.802 56.871 131.754 1.00 0.12 C HETATM 2001 C4 NON A 47 17.047 57.228 130.288 1.00 0.11 C HETATM 2002 C5 NON A 47 17.965 58.449 130.226 1.00 0.11 C HETATM 2003 C6 NON A 47 18.138 58.867 128.778 1.00 0.08 C HETATM 2004 O6 NON A 47 19.055 59.932 128.724 1.00 -0.35 O HETATM 2005 C1 NON A 47 19.135 60.363 127.349 1.00 0.19 C HETATM 2006 C2 NON A 47 20.510 60.092 126.719 1.00 0.14 C HETATM 2007 C3 NON A 47 21.500 61.222 127.069 1.00 0.11 C HETATM 2008 C4 NON A 47 20.981 62.243 128.106 1.00 0.11 C HETATM 2009 C5 NON A 47 19.478 62.554 128.083 1.00 0.11 C HETATM 2010 C6 NON A 47 19.205 64.008 127.684 1.00 0.07 C HETATM 2011 O6 NON A 47 17.814 64.149 127.476 1.00 -0.39 O HETATM 2012 H NON A 47 17.537 63.560 126.784 1.00 0.21 H HETATM 2013 H NON A 47 19.747 64.249 126.758 1.00 0.06 H HETATM 2014 H NON A 47 19.533 64.684 128.488 1.00 0.06 H HETATM 2015 O5 NON A 47 18.789 61.717 127.183 1.00 -0.34 O HETATM 2016 H NON A 47 19.081 62.386 129.095 1.00 0.06 H HETATM 2017 O4 NON A 47 21.317 61.828 129.417 1.00 -0.39 O HETATM 2018 H NON A 47 20.816 61.053 129.641 1.00 0.21 H HETATM 2019 H NON A 47 21.505 63.188 127.900 1.00 0.06 H HETATM 2020 O3 NON A 47 21.928 61.908 125.910 1.00 -0.39 O HETATM 2021 H NON A 47 22.247 61.281 125.272 1.00 0.21 H HETATM 2022 H NON A 47 22.382 60.737 127.513 1.00 0.06 H HETATM 2023 O2 NON A 47 20.395 59.885 125.302 1.00 -0.34 O HETATM 2024 C1 NON A 47 20.211 58.478 124.918 1.00 0.19 C HETATM 2025 C2 NON A 47 20.724 58.208 123.481 1.00 0.13 C HETATM 2026 C3 NON A 47 20.120 56.995 122.745 1.00 0.11 C HETATM 2027 C4 NON A 47 18.633 56.782 123.053 1.00 0.11 C HETATM 2028 C5 NON A 47 18.072 57.862 123.975 1.00 0.11 C HETATM 2029 C6 NON A 47 16.642 57.504 124.394 1.00 0.07 C HETATM 2030 O6 NON A 47 15.774 58.606 124.222 1.00 -0.39 O HETATM 2031 H NON A 47 14.896 58.360 124.488 1.00 0.21 H HETATM 2032 H NON A 47 16.641 57.207 125.453 1.00 0.06 H HETATM 2033 H NON A 47 16.286 56.666 123.778 1.00 0.06 H HETATM 2034 O5 NON A 47 18.892 57.975 125.127 1.00 -0.34 O HETATM 2035 H NON A 47 18.062 58.824 123.441 1.00 0.06 H HETATM 2036 O4 NON A 47 17.894 56.765 121.847 1.00 -0.39 O HETATM 2037 H NON A 47 18.242 56.093 121.273 1.00 0.21 H HETATM 2038 H NON A 47 18.520 55.808 123.552 1.00 0.06 H HETATM 2039 O3 NON A 47 20.878 55.810 122.975 1.00 -0.39 O HETATM 2040 H NON A 47 21.792 55.976 122.775 1.00 0.21 H HETATM 2041 H NON A 47 20.189 57.215 121.669 1.00 0.06 H HETATM 2042 O2 NON A 47 22.135 58.063 123.479 1.00 -0.38 O HETATM 2043 H NON A 47 22.370 57.258 123.925 1.00 0.21 H HETATM 2044 H NON A 47 20.471 59.099 122.888 1.00 0.07 H HETATM 2045 H NON A 47 20.860 57.897 125.590 1.00 0.09 H HETATM 2046 H NON A 47 20.902 59.162 127.157 1.00 0.07 H HETATM 2047 H NON A 47 18.398 59.768 126.789 1.00 0.09 H HETATM 2048 H NON A 47 17.170 59.191 128.368 1.00 0.06 H HETATM 2049 H NON A 47 18.520 58.019 128.191 1.00 0.06 H HETATM 2050 O5 NON A 47 17.450 59.548 130.970 1.00 -0.34 O HETATM 2051 H NON A 47 18.945 58.172 130.642 1.00 0.06 H HETATM 2052 O4 NON A 47 17.637 56.149 129.598 1.00 -0.39 O HETATM 2053 H NON A 47 18.471 55.936 130.000 1.00 0.21 H HETATM 2054 H NON A 47 16.086 57.471 129.812 1.00 0.06 H HETATM 2055 O3 NON A 47 16.056 55.681 131.946 1.00 -0.34 O HETATM 2056 C1 NON A 47 16.044 55.390 133.359 1.00 0.19 C HETATM 2057 C2 NON A 47 16.129 53.890 133.536 1.00 0.13 C HETATM 2058 C3 NON A 47 14.808 53.336 133.028 1.00 0.11 C HETATM 2059 C4 NON A 47 13.684 53.759 133.972 1.00 0.11 C HETATM 2060 C5 NON A 47 13.925 55.126 134.642 1.00 0.11 C HETATM 2061 C6 NON A 47 14.204 55.014 136.145 1.00 0.07 C HETATM 2062 O6 NON A 47 14.028 56.276 136.755 1.00 -0.39 O HETATM 2063 H NON A 47 13.135 56.570 136.620 1.00 0.21 H HETATM 2064 H NON A 47 15.238 54.673 136.301 1.00 0.06 H HETATM 2065 H NON A 47 13.508 54.290 136.594 1.00 0.06 H HETATM 2066 O5 NON A 47 14.904 55.950 134.005 1.00 -0.34 O HETATM 2067 H NON A 47 12.972 55.668 134.547 1.00 0.06 H HETATM 2068 O4 NON A 47 12.469 53.806 133.251 1.00 -0.39 O HETATM 2069 H NON A 47 12.316 52.965 132.836 1.00 0.21 H HETATM 2070 H NON A 47 13.600 53.001 134.764 1.00 0.06 H HETATM 2071 O3 NON A 47 14.876 51.932 132.878 1.00 -0.39 O HETATM 2072 H NON A 47 15.034 51.531 133.725 1.00 0.21 H HETATM 2073 H NON A 47 14.606 53.772 132.038 1.00 0.06 H HETATM 2074 O2 NON A 47 16.339 53.580 134.897 1.00 -0.38 O HETATM 2075 H NON A 47 15.638 53.954 135.418 1.00 0.21 H HETATM 2076 H NON A 47 16.959 53.482 132.941 1.00 0.07 H HETATM 2077 H NON A 47 16.938 55.842 133.814 1.00 0.09 H HETATM 2078 H NON A 47 17.782 56.710 132.227 1.00 0.07 H HETATM 2079 O2 NON A 47 14.892 58.379 131.842 1.00 -0.38 O HETATM 2080 H NON A 47 14.514 59.134 132.277 1.00 0.21 H HETATM 2081 H NON A 47 15.983 57.855 133.484 1.00 0.07 H HETATM 2082 H NON A 47 16.699 60.151 132.786 1.00 0.09 H HETATM 2083 H NON A 47 18.414 60.804 133.570 1.00 0.06 H HETATM 2084 H NON A 47 18.669 59.636 134.911 1.00 0.06 H HETATM 2085 O5 NON A 47 20.953 60.763 134.310 1.00 -0.34 O HETATM 2086 H NON A 47 20.431 60.101 132.466 1.00 0.06 H HETATM 2087 O4 NON A 47 21.773 58.185 132.394 1.00 -0.39 O HETATM 2088 H NON A 47 22.168 57.321 132.410 1.00 0.21 H HETATM 2089 H NON A 47 20.156 57.618 133.529 1.00 0.06 H HETATM 2090 O3 NON A 47 22.012 56.655 135.008 1.00 -0.34 O HETATM 2091 C1 NON A 47 23.114 56.076 134.234 1.00 0.19 C HETATM 2092 C2 NON A 47 22.863 54.665 133.673 1.00 0.14 C HETATM 2093 C3 NON A 47 22.752 53.682 134.836 1.00 0.11 C HETATM 2094 C4 NON A 47 24.128 53.643 135.472 1.00 0.11 C HETATM 2095 C5 NON A 47 24.549 55.047 135.895 1.00 0.11 C HETATM 2096 C6 NON A 47 26.023 54.994 136.274 1.00 0.07 C HETATM 2097 O6 NON A 47 26.385 56.260 136.769 1.00 -0.39 O HETATM 2098 H NON A 47 27.303 56.253 137.013 1.00 0.21 H HETATM 2099 H NON A 47 26.629 54.751 135.388 1.00 0.06 H HETATM 2100 H NON A 47 26.183 54.230 137.049 1.00 0.06 H HETATM 2101 O5 NON A 47 24.361 56.057 134.904 1.00 -0.34 O HETATM 2102 H NON A 47 23.957 55.328 136.778 1.00 0.06 H HETATM 2103 O4 NON A 47 24.149 52.749 136.571 1.00 -0.39 O HETATM 2104 H NON A 47 25.029 52.708 136.928 1.00 0.21 H HETATM 2105 H NON A 47 24.846 53.279 134.722 1.00 0.06 H HETATM 2106 O3 NON A 47 22.408 52.366 134.458 1.00 -0.39 O HETATM 2107 H NON A 47 23.048 52.039 133.837 1.00 0.21 H HETATM 2108 H NON A 47 22.005 54.052 135.554 1.00 0.06 H HETATM 2109 O2 NON A 47 24.005 54.253 132.937 1.00 -0.34 O HETATM 2110 C1 NON A 47 24.012 54.560 131.524 1.00 0.19 C HETATM 2111 C2 NON A 47 24.743 53.452 130.752 1.00 0.14 C HETATM 2112 C3 NON A 47 26.268 53.534 130.870 1.00 0.11 C HETATM 2113 C4 NON A 47 26.742 54.934 130.520 1.00 0.11 C HETATM 2114 C5 NON A 47 25.991 55.925 131.391 1.00 0.11 C HETATM 2115 C6 NON A 47 26.446 57.330 131.039 1.00 0.07 C HETATM 2116 O6 NON A 47 25.629 58.219 131.772 1.00 -0.39 O HETATM 2117 H NON A 47 24.721 58.087 131.528 1.00 0.21 H HETATM 2118 H NON A 47 26.326 57.508 129.960 1.00 0.06 H HETATM 2119 H NON A 47 27.501 57.468 131.318 1.00 0.06 H HETATM 2120 O5 NON A 47 24.588 55.820 131.208 1.00 -0.34 O HETATM 2121 H NON A 47 26.226 55.721 132.446 1.00 0.06 H HETATM 2122 O4 NON A 47 28.141 55.056 130.724 1.00 -0.39 O HETATM 2123 H NON A 47 28.596 54.430 130.173 1.00 0.21 H HETATM 2124 H NON A 47 26.519 55.138 129.462 1.00 0.06 H HETATM 2125 O3 NON A 47 26.887 52.638 129.979 1.00 -0.39 O HETATM 2126 H NON A 47 26.640 52.858 129.088 1.00 0.21 H HETATM 2127 H NON A 47 26.563 53.290 131.901 1.00 0.06 H HETATM 2128 O2 NON A 47 24.450 53.493 129.368 1.00 -0.34 O HETATM 2129 C1 NON A 47 23.060 53.774 129.108 1.00 0.19 C HETATM 2130 C2 NON A 47 22.862 53.544 127.609 1.00 0.13 C HETATM 2131 C3 NON A 47 23.039 54.852 126.859 1.00 0.11 C HETATM 2132 C4 NON A 47 21.946 55.810 127.304 1.00 0.11 C HETATM 2133 C5 NON A 47 21.791 55.865 128.827 1.00 0.11 C HETATM 2134 C6 NON A 47 20.385 55.570 129.333 1.00 0.07 C HETATM 2135 O6 NON A 47 20.437 55.324 130.728 1.00 -0.39 O HETATM 2136 H NON A 47 21.001 54.578 130.896 1.00 0.21 H HETATM 2137 H NON A 47 19.986 54.684 128.817 1.00 0.06 H HETATM 2138 H NON A 47 19.733 56.434 129.135 1.00 0.06 H HETATM 2139 O5 NON A 47 22.729 55.085 129.552 1.00 -0.34 O HETATM 2140 H NON A 47 21.997 56.912 129.096 1.00 0.06 H HETATM 2141 O4 NON A 47 22.306 57.082 126.831 1.00 -0.39 O HETATM 2142 H NON A 47 22.403 57.052 125.886 1.00 0.21 H HETATM 2143 H NON A 47 20.988 55.500 126.861 1.00 0.06 H HETATM 2144 O3 NON A 47 22.972 54.649 125.463 1.00 -0.39 O HETATM 2145 H NON A 47 22.125 54.282 125.238 1.00 0.21 H HETATM 2146 H NON A 47 24.021 55.280 127.108 1.00 0.06 H HETATM 2147 O2 NON A 47 21.587 52.991 127.356 1.00 -0.38 O HETATM 2148 H NON A 47 21.494 52.827 126.425 1.00 0.21 H HETATM 2149 H NON A 47 23.625 52.833 127.259 1.00 0.07 H HETATM 2150 H NON A 47 22.430 53.062 129.661 1.00 0.09 H HETATM 2151 H NON A 47 24.409 52.487 131.160 1.00 0.07 H HETATM 2152 H NON A 47 22.965 54.582 131.187 1.00 0.09 H HETATM 2153 H NON A 47 21.957 54.651 133.049 1.00 0.07 H HETATM 2154 H NON A 47 23.234 56.740 133.365 1.00 0.09 H HETATM 2155 H NON A 47 22.866 58.428 134.522 1.00 0.07 H HETATM 2156 O2 NON A 47 20.043 58.525 136.369 1.00 -0.38 O HETATM 2157 H NON A 47 19.780 59.062 137.107 1.00 0.21 H HETATM 2158 H NON A 47 22.022 58.694 136.817 1.00 0.07 H HETATM 2159 H NON A 47 22.595 60.444 135.361 1.00 0.09 H HETATM 2160 H NON A 47 20.377 62.539 137.929 1.00 0.07 H HETATM 2161 O3 NON A 47 20.441 64.034 135.469 1.00 -0.39 O HETATM 2162 H NON A 47 19.967 64.680 134.959 1.00 0.21 H HETATM 2163 H NON A 47 18.946 62.673 135.298 1.00 0.06 H HETATM 2164 N2 NON A 47 17.806 65.012 136.238 1.00 -0.28 N HETATM 2165 C7 NON A 47 17.750 65.165 134.895 1.00 0.17 C HETATM 2166 C8 NON A 47 18.505 64.197 134.005 1.00 0.03 C HETATM 2167 H NON A 47 18.348 64.469 132.951 1.00 0.05 H HETATM 2168 H NON A 47 18.136 63.175 134.178 1.00 0.05 H HETATM 2169 H NON A 47 19.579 64.244 134.240 1.00 0.05 H HETATM 2170 O7 NON A 47 17.096 66.091 134.386 1.00 -0.40 O HETATM 2171 H NON A 47 17.307 65.685 136.784 1.00 0.19 H HETATM 2172 H NON A 47 19.099 64.456 137.780 1.00 0.06 H HETATM 2173 H NON A 47 17.037 62.511 136.774 1.00 0.09 H HETATM 2174 H NON A 47 16.856 65.448 138.913 1.00 0.07 H HETATM 2175 O3 NON A 47 14.702 66.300 139.780 1.00 -0.39 O HETATM 2176 H NON A 47 13.794 66.471 140.000 1.00 0.21 H HETATM 2177 H NON A 47 14.303 64.501 138.908 1.00 0.06 H HETATM 2178 N2 NON A 47 13.951 62.885 140.832 1.00 -0.28 N HETATM 2179 C7 NON A 47 13.291 62.159 141.750 1.00 0.17 C HETATM 2180 C8 NON A 47 12.906 60.728 141.429 1.00 0.03 C HETATM 2181 H NON A 47 12.377 60.289 142.288 1.00 0.05 H HETATM 2182 H NON A 47 13.813 60.142 141.220 1.00 0.05 H HETATM 2183 H NON A 47 12.249 60.714 140.547 1.00 0.05 H HETATM 2184 O7 NON A 47 13.007 62.654 142.847 1.00 -0.40 O HETATM 2185 H NON A 47 14.164 62.452 139.956 1.00 0.19 H HETATM 2186 H NON A 47 13.474 64.851 141.295 1.00 0.06 H HETATM 2187 O1 NON A 47 14.842 65.503 143.095 1.00 -0.37 O HETATM 2188 H NON A 47 14.830 66.337 142.641 1.00 0.21 H HETATM 2189 H NON A 47 15.415 63.548 142.781 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 76 75 199 CONECT 199 76 198 CONECT 349 348 1919 CONECT 467 466 1919 CONECT 543 542 676 CONECT 676 543 675 CONECT 960 961 968 969 970 CONECT 968 960 CONECT 969 960 CONECT 970 960 CONECT 1035 1034 1158 CONECT 1158 1035 1157 CONECT 1308 1307 1919 CONECT 1426 1425 1919 CONECT 1502 1501 1635 CONECT 1635 1502 1634 CONECT 1919 349 467 1308 1426 CONECT 1965 1966 1975 2187 2189 CONECT 1966 1965 1967 2178 2186 CONECT 1967 1966 1968 2175 2177 CONECT 1968 1967 1969 1977 2174 CONECT 1969 1968 1970 1975 1976 CONECT 1970 1969 1971 1973 1974 CONECT 1971 1970 1972 CONECT 1972 1971 CONECT 1973 1970 CONECT 1974 1970 CONECT 1975 1965 1969 CONECT 1976 1969 CONECT 1977 1968 1978 CONECT 1978 1977 1979 1988 2173 CONECT 1979 1978 1980 2164 2172 CONECT 1980 1979 1981 2161 2163 CONECT 1981 1980 1982 1990 2160 CONECT 1982 1981 1983 1988 1989 CONECT 1983 1982 1984 1986 1987 CONECT 1984 1983 1985 CONECT 1985 1984 CONECT 1986 1983 CONECT 1987 1983 CONECT 1988 1978 1982 CONECT 1989 1982 CONECT 1990 1981 1991 CONECT 1991 1990 1992 2085 2159 CONECT 1992 1991 1993 2156 2158 CONECT 1993 1992 1994 2090 2155 CONECT 1994 1993 1995 2087 2089 CONECT 1995 1994 1996 2085 2086 CONECT 1996 1995 1997 2083 2084 CONECT 1997 1996 1998 CONECT 1998 1997 1999 2050 2082 CONECT 1999 1998 2000 2079 2081 CONECT 2000 1999 2001 2055 2078 CONECT 2001 2000 2002 2052 2054 CONECT 2002 2001 2003 2050 2051 CONECT 2003 2002 2004 2048 2049 CONECT 2004 2003 2005 CONECT 2005 2004 2006 2015 2047 CONECT 2006 2005 2007 2023 2046 CONECT 2007 2006 2008 2020 2022 CONECT 2008 2007 2009 2017 2019 CONECT 2009 2008 2010 2015 2016 CONECT 2010 2009 2011 2013 2014 CONECT 2011 2010 2012 CONECT 2012 2011 CONECT 2013 2010 CONECT 2014 2010 CONECT 2015 2005 2009 CONECT 2016 2009 CONECT 2017 2008 2018 CONECT 2018 2017 CONECT 2019 2008 CONECT 2020 2007 2021 CONECT 2021 2020 CONECT 2022 2007 CONECT 2023 2006 2024 CONECT 2024 2023 2025 2034 2045 CONECT 2025 2024 2026 2042 2044 CONECT 2026 2025 2027 2039 2041 CONECT 2027 2026 2028 2036 2038 CONECT 2028 2027 2029 2034 2035 CONECT 2029 2028 2030 2032 2033 CONECT 2030 2029 2031 CONECT 2031 2030 CONECT 2032 2029 CONECT 2033 2029 CONECT 2034 2024 2028 CONECT 2035 2028 CONECT 2036 2027 2037 CONECT 2037 2036 CONECT 2038 2027 CONECT 2039 2026 2040 CONECT 2040 2039 CONECT 2041 2026 CONECT 2042 2025 2043 CONECT 2043 2042 CONECT 2044 2025 CONECT 2045 2024 CONECT 2046 2006 CONECT 2047 2005 CONECT 2048 2003 CONECT 2049 2003 CONECT 2050 1998 2002 CONECT 2051 2002 CONECT 2052 2001 2053 CONECT 2053 2052 CONECT 2054 2001 CONECT 2055 2000 2056 CONECT 2056 2055 2057 2066 2077 CONECT 2057 2056 2058 2074 2076 CONECT 2058 2057 2059 2071 2073 CONECT 2059 2058 2060 2068 2070 CONECT 2060 2059 2061 2066 2067 CONECT 2061 2060 2062 2064 2065 CONECT 2062 2061 2063 CONECT 2063 2062 CONECT 2064 2061 CONECT 2065 2061 CONECT 2066 2056 2060 CONECT 2067 2060 CONECT 2068 2059 2069 CONECT 2069 2068 CONECT 2070 2059 CONECT 2071 2058 2072 CONECT 2072 2071 CONECT 2073 2058 CONECT 2074 2057 2075 CONECT 2075 2074 CONECT 2076 2057 CONECT 2077 2056 CONECT 2078 2000 CONECT 2079 1999 2080 CONECT 2080 2079 CONECT 2081 1999 CONECT 2082 1998 CONECT 2083 1996 CONECT 2084 1996 CONECT 2085 1991 1995 CONECT 2086 1995 CONECT 2087 1994 2088 CONECT 2088 2087 CONECT 2089 1994 CONECT 2090 1993 2091 CONECT 2091 2090 2092 2101 2154 CONECT 2092 2091 2093 2109 2153 CONECT 2093 2092 2094 2106 2108 CONECT 2094 2093 2095 2103 2105 CONECT 2095 2094 2096 2101 2102 CONECT 2096 2095 2097 2099 2100 CONECT 2097 2096 2098 CONECT 2098 2097 CONECT 2099 2096 CONECT 2100 2096 CONECT 2101 2091 2095 CONECT 2102 2095 CONECT 2103 2094 2104 CONECT 2104 2103 CONECT 2105 2094 CONECT 2106 2093 2107 CONECT 2107 2106 CONECT 2108 2093 CONECT 2109 2092 2110 CONECT 2110 2109 2111 2120 2152 CONECT 2111 2110 2112 2128 2151 CONECT 2112 2111 2113 2125 2127 CONECT 2113 2112 2114 2122 2124 CONECT 2114 2113 2115 2120 2121 CONECT 2115 2114 2116 2118 2119 CONECT 2116 2115 2117 CONECT 2117 2116 CONECT 2118 2115 CONECT 2119 2115 CONECT 2120 2110 2114 CONECT 2121 2114 CONECT 2122 2113 2123 CONECT 2123 2122 CONECT 2124 2113 CONECT 2125 2112 2126 CONECT 2126 2125 CONECT 2127 2112 CONECT 2128 2111 2129 CONECT 2129 2128 2130 2139 2150 CONECT 2130 2129 2131 2147 2149 CONECT 2131 2130 2132 2144 2146 CONECT 2132 2131 2133 2141 2143 CONECT 2133 2132 2134 2139 2140 CONECT 2134 2133 2135 2137 2138 CONECT 2135 2134 2136 CONECT 2136 2135 CONECT 2137 2134 CONECT 2138 2134 CONECT 2139 2129 2133 CONECT 2140 2133 CONECT 2141 2132 2142 CONECT 2142 2141 CONECT 2143 2132 CONECT 2144 2131 2145 CONECT 2145 2144 CONECT 2146 2131 CONECT 2147 2130 2148 CONECT 2148 2147 CONECT 2149 2130 CONECT 2150 2129 CONECT 2151 2111 CONECT 2152 2110 CONECT 2153 2092 CONECT 2154 2091 CONECT 2155 1993 CONECT 2156 1992 2157 CONECT 2157 2156 CONECT 2158 1992 CONECT 2159 1991 CONECT 2160 1981 CONECT 2161 1980 2162 CONECT 2162 2161 CONECT 2163 1980 CONECT 2164 1979 2165 2171 CONECT 2165 2164 2166 2170 CONECT 2166 2165 2167 2168 2169 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2166 CONECT 2170 2165 CONECT 2171 2164 CONECT 2172 1979 CONECT 2173 1978 CONECT 2174 1968 CONECT 2175 1967 2176 CONECT 2176 2175 CONECT 2177 1967 CONECT 2178 1966 2179 2185 CONECT 2179 2178 2180 2184 CONECT 2180 2179 2181 2182 2183 CONECT 2181 2180 CONECT 2182 2180 CONECT 2183 2180 CONECT 2184 2179 CONECT 2185 2178 CONECT 2186 1966 CONECT 2187 1965 2188 CONECT 2188 2187 CONECT 2189 1965 MASTER 0 0 0 0 0 0 0 0 2187 2 246 16 END
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101aa, >3GXY_1|Chains... *
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PDBbind
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11-mer
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RCSB PDB
PDBbind
11-mer
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PDBbind
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PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
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PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
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PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
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PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
6azl
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PDBbind
11-mer
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PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
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Entry Information
PDB ID
3gxz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cyanovirin-n
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=13nM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
J.BIOL.CHEM. v277 pp. 34336-42, 2002
Ligand Properties
Formula
C
6
4
H
1
0
8
N
2
O
5
1
Molecular Weight
1721.530
Exact Mass
1720.590
No. of atoms
225
No. of bonds
234
Polar Surface Area
840.47
LOGP Value
-19.14 (
Computed with XLOGP3
)
-21.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 32
No. of Hydrogen Bond Acceptors: 32
No. of Rotatable Bonds: 62
No. of Nitrogen and Oxygen Atoms: 53
No. of Rings: 10
Canonical SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H]([C@@H]([C@@H]4O[C@H]4O[C@H](CO)[C@H]([C@@H]([C@@H]4O)O)O)O)O)[C@H]([C@@H]([C@@H]3O)O[C@H]3O[C@H](CO)[C@H]([C@@H]([C@@H]3O)O)O)O)O[C@H]([C@H]2O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)[C@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O
InChI String
InChI=1S/C64H108N2O51/c1-13(75)65-25-35(85)48(21(9-73)101-55(25)98)111-56-26(66-14(2)76)36(86)49(22(10-74)108-56)112-61-47(97)51(114-63-54(42(92)32(82)19(7-71)106-63)117-64-53(41(91)31(81)20(8-72)107-64)116-60-45(95)39(89)29(79)17(5-69)104-60)34(84)24(110-61)11-99-57-46(96)50(113-58-43(93)37(87)27(77)15(3-67)102-58)33(83)23(109-57)12-100-62-52(40(90)30(80)18(6-70)105-62)115-59-44(94)38(88)28(78)16(4-68)103-59/h15-64,67-74,77-98H,3-12H2,1-2H3,(H,65,75)(H,66,76)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+,58-,59-,60-,61+,62+,63-,64-/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P81180
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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