Browse entries in the PDBbind-CN Database
HEADER 3TWU_COMPLEX COMPND 3TWU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 160 ASN SER GLU ALA ASP ARG GLN LEU LEU GLU ALA ALA LYS SEQRES 2 A 160 ALA GLY ASP VAL GLU THR VAL LYS LYS LEU CYS THR VAL SEQRES 3 A 160 GLN SER VAL ASN CYS ARG ASP ILE GLU GLY ARG GLN SER SEQRES 4 A 160 THR PRO LEU HIS PHE ALA ALA GLY TYR ASN ARG VAL SER SEQRES 5 A 160 VAL VAL GLU TYR LEU LEU GLN HIS GLY ALA ASP VAL HIS SEQRES 6 A 160 ALA LYS ASP LYS GLY GLY LEU VAL PRO LEU HIS ASN ALA SEQRES 7 A 160 CYS SER TYR GLY HIS TYR GLU VAL ALA GLU LEU LEU VAL SEQRES 8 A 160 LYS HIS GLY ALA VAL VAL ASN VAL ALA ASP LEU TRP LYS SEQRES 9 A 160 PHE THR PRO LEU HIS GLU ALA ALA ALA LYS GLY LYS TYR SEQRES 10 A 160 GLU ILE CYS LYS LEU LEU LEU GLN HIS GLY ALA ASP PRO SEQRES 11 A 160 THR LYS LYS ASN ARG ASP GLY ASN THR PRO LEU ASP LEU SEQRES 12 A 160 VAL LYS ASP GLY ASP THR ASP ILE GLN ASP LEU LEU ARG SEQRES 13 A 160 GLY ASP ALA ALA HET VAL A 270 190 ATOM 1 N ASN A 489 21.725 -6.342 6.251 1.00 52.45 N ATOM 2 CA ASN A 489 20.443 -6.737 5.675 1.00 47.87 C ATOM 3 C ASN A 489 20.625 -7.777 4.578 1.00 51.48 C ATOM 4 O ASN A 489 21.661 -7.812 3.916 1.00 50.45 O ATOM 5 CB ASN A 489 19.715 -5.525 5.090 1.00 40.61 C ATOM 6 CG ASN A 489 19.125 -4.616 6.158 1.00 43.58 C ATOM 7 OD1 ASN A 489 19.606 -3.509 6.373 1.00 43.87 O ATOM 8 ND2 ASN A 489 18.066 -5.076 6.817 1.00 42.33 N ATOM 9 HA ASN A 489 19.849 -7.169 6.481 1.00 0.00 H ATOM 10 HB2 ASN A 489 20.422 -4.948 4.494 1.00 0.00 H ATOM 11 HB3 ASN A 489 18.907 -5.880 4.450 1.00 0.00 H ATOM 12 HD22 ASN A 489 17.691 -6.022 6.602 1.00 0.00 H ATOM 13 HD21 ASN A 489 17.613 -4.490 7.547 1.00 0.00 H ATOM 14 HN3 ASN A 489 22.328 -5.936 5.507 1.00 0.00 H ATOM 15 HN2 ASN A 489 22.192 -7.177 6.660 1.00 0.00 H ATOM 16 HN1 ASN A 489 21.566 -5.633 6.995 1.00 0.00 H ATOM 17 N SER A 490 19.612 -8.616 4.387 1.00 48.62 N ATOM 18 CA SER A 490 19.587 -9.509 3.239 1.00 48.88 C ATOM 19 C SER A 490 19.333 -8.665 1.994 1.00 42.16 C ATOM 20 O SER A 490 18.740 -7.588 2.069 1.00 40.17 O ATOM 21 CB SER A 490 18.499 -10.572 3.390 1.00 47.86 C ATOM 22 OG SER A 490 17.208 -9.995 3.299 1.00 46.23 O ATOM 23 HA SER A 490 20.540 -10.031 3.159 1.00 0.00 H ATOM 24 HB2 SER A 490 18.606 -11.056 4.361 1.00 0.00 H ATOM 25 HB3 SER A 490 18.614 -11.315 2.601 1.00 0.00 H ATOM 26 HG SER A 490 17.097 -9.323 4.017 1.00 0.00 H ATOM 27 H SER A 490 18.826 -8.634 5.068 1.00 0.00 H ATOM 28 N GLU A 491 19.797 -9.144 0.848 1.00 44.22 N ATOM 29 CA GLU A 491 19.604 -8.417 -0.399 1.00 43.25 C ATOM 30 C GLU A 491 18.124 -8.112 -0.602 1.00 41.32 C ATOM 31 O GLU A 491 17.759 -7.046 -1.095 1.00 36.36 O ATOM 32 CB GLU A 491 20.140 -9.235 -1.572 1.00 46.84 C ATOM 33 CG GLU A 491 20.440 -8.427 -2.820 1.00 49.88 C ATOM 34 CD GLU A 491 21.143 -9.258 -3.878 1.00 51.85 C ATOM 35 OE1 GLU A 491 20.738 -10.419 -4.088 1.00 52.19 O ATOM 36 OE2 GLU A 491 22.100 -8.749 -4.489 1.00 57.65 O ATOM 37 HA GLU A 491 20.153 -7.477 -0.348 1.00 0.00 H ATOM 38 HB2 GLU A 491 21.061 -9.724 -1.254 1.00 0.00 H ATOM 39 HB3 GLU A 491 19.398 -9.992 -1.827 1.00 0.00 H ATOM 40 HG2 GLU A 491 19.503 -8.052 -3.231 1.00 0.00 H ATOM 41 HG3 GLU A 491 21.079 -7.586 -2.550 1.00 0.00 H ATOM 42 H GLU A 491 20.306 -10.051 0.840 1.00 0.00 H ATOM 43 N ALA A 492 17.279 -9.062 -0.216 1.00 40.73 N ATOM 44 CA ALA A 492 15.835 -8.914 -0.360 1.00 40.17 C ATOM 45 C ALA A 492 15.278 -7.807 0.536 1.00 36.28 C ATOM 46 O ALA A 492 14.348 -7.098 0.145 1.00 31.70 O ATOM 47 CB ALA A 492 15.130 -10.242 -0.081 1.00 38.56 C ATOM 48 HA ALA A 492 15.639 -8.621 -1.392 1.00 0.00 H ATOM 49 HB1 ALA A 492 15.482 -10.994 -0.787 1.00 0.00 H ATOM 50 HB2 ALA A 492 15.354 -10.564 0.936 1.00 0.00 H ATOM 51 HB3 ALA A 492 14.054 -10.111 -0.193 1.00 0.00 H ATOM 52 H ALA A 492 17.658 -9.936 0.201 1.00 0.00 H ATOM 53 N ASP A 493 15.838 -7.668 1.737 1.00 34.16 N ATOM 54 CA ASP A 493 15.408 -6.615 2.652 1.00 34.75 C ATOM 55 C ASP A 493 15.837 -5.254 2.118 1.00 29.56 C ATOM 56 O ASP A 493 15.092 -4.274 2.212 1.00 26.46 O ATOM 57 CB ASP A 493 15.980 -6.832 4.053 1.00 37.81 C ATOM 58 CG ASP A 493 15.280 -7.947 4.803 1.00 46.50 C ATOM 59 OD1 ASP A 493 14.168 -8.328 4.381 1.00 44.62 O ATOM 60 OD2 ASP A 493 15.841 -8.436 5.812 1.00 50.71 O ATOM 61 HA ASP A 493 14.321 -6.649 2.722 1.00 0.00 H ATOM 62 HB2 ASP A 493 17.037 -7.081 3.964 1.00 0.00 H ATOM 63 HB3 ASP A 493 15.873 -5.908 4.621 1.00 0.00 H ATOM 64 H ASP A 493 16.594 -8.321 2.027 1.00 0.00 H ATOM 65 N ARG A 494 17.050 -5.200 1.574 1.00 34.14 N ATOM 66 CA ARG A 494 17.554 -3.984 0.956 1.00 30.76 C ATOM 67 C ARG A 494 16.648 -3.577 -0.195 1.00 28.51 C ATOM 68 O ARG A 494 16.295 -2.407 -0.332 1.00 28.79 O ATOM 69 CB ARG A 494 18.998 -4.162 0.479 1.00 35.60 C ATOM 70 CG ARG A 494 20.009 -4.223 1.619 1.00 46.25 C ATOM 71 CD ARG A 494 21.454 -4.179 1.126 1.00 53.74 C ATOM 72 NE ARG A 494 21.939 -5.478 0.663 1.00 57.82 N ATOM 73 CZ ARG A 494 22.043 -5.828 -0.616 1.00 62.50 C ATOM 74 NH1 ARG A 494 21.695 -4.976 -1.574 1.00 58.18 N ATOM 75 NH2 ARG A 494 22.500 -7.034 -0.938 1.00 67.04 N ATOM 76 HA ARG A 494 17.553 -3.190 1.703 1.00 0.00 H ATOM 77 HB2 ARG A 494 19.062 -5.089 -0.090 1.00 0.00 H ATOM 78 HB3 ARG A 494 19.255 -3.322 -0.167 1.00 0.00 H ATOM 79 HG2 ARG A 494 19.840 -3.374 2.282 1.00 0.00 H ATOM 80 HG3 ARG A 494 19.857 -5.150 2.172 1.00 0.00 H ATOM 81 HD2 ARG A 494 22.090 -3.842 1.944 1.00 0.00 H ATOM 82 HD3 ARG A 494 21.518 -3.470 0.301 1.00 0.00 H ATOM 83 HE ARG A 494 22.222 -6.175 1.381 1.00 0.00 H ATOM 84 HH12 ARG A 494 21.778 -5.254 -2.573 1.00 0.00 H ATOM 85 HH11 ARG A 494 21.339 -4.031 -1.325 1.00 0.00 H ATOM 86 HH22 ARG A 494 22.582 -7.309 -1.938 1.00 0.00 H ATOM 87 HH21 ARG A 494 22.776 -7.702 -0.190 1.00 0.00 H ATOM 88 H ARG A 494 17.652 -6.048 1.591 1.00 0.00 H ATOM 89 N GLN A 495 16.247 -4.551 -1.003 1.00 30.43 N ATOM 90 CA GLN A 495 15.381 -4.271 -2.142 1.00 29.38 C ATOM 91 C GLN A 495 14.025 -3.733 -1.697 1.00 28.67 C ATOM 92 O GLN A 495 13.507 -2.786 -2.288 1.00 29.34 O ATOM 93 CB GLN A 495 15.216 -5.514 -3.020 1.00 30.51 C ATOM 94 CG GLN A 495 16.501 -5.929 -3.711 1.00 34.90 C ATOM 95 CD GLN A 495 16.344 -7.221 -4.486 1.00 43.41 C ATOM 96 OE1 GLN A 495 15.784 -8.195 -3.981 1.00 48.48 O ATOM 97 NE2 GLN A 495 16.831 -7.235 -5.723 1.00 45.08 N ATOM 98 HA GLN A 495 15.861 -3.495 -2.737 1.00 0.00 H ATOM 99 HB2 GLN A 495 14.876 -6.339 -2.394 1.00 0.00 H ATOM 100 HB3 GLN A 495 14.465 -5.304 -3.781 1.00 0.00 H ATOM 101 HG2 GLN A 495 16.799 -5.140 -4.401 1.00 0.00 H ATOM 102 HG3 GLN A 495 17.277 -6.064 -2.958 1.00 0.00 H ATOM 103 HE22 GLN A 495 17.296 -6.388 -6.108 1.00 0.00 H ATOM 104 HE21 GLN A 495 16.747 -8.092 -6.305 1.00 0.00 H ATOM 105 H GLN A 495 16.555 -5.528 -0.821 1.00 0.00 H ATOM 106 N LEU A 496 13.465 -4.324 -0.645 1.00 28.62 N ATOM 107 CA LEU A 496 12.174 -3.884 -0.120 1.00 27.26 C ATOM 108 C LEU A 496 12.232 -2.452 0.419 1.00 24.17 C ATOM 109 O LEU A 496 11.324 -1.660 0.181 1.00 24.50 O ATOM 110 CB LEU A 496 11.657 -4.854 0.956 1.00 23.85 C ATOM 111 CG LEU A 496 10.393 -4.394 1.700 1.00 22.88 C ATOM 112 CD1 LEU A 496 9.263 -4.146 0.726 1.00 28.54 C ATOM 113 CD2 LEU A 496 9.972 -5.438 2.731 1.00 27.30 C ATOM 114 HA LEU A 496 11.470 -3.888 -0.952 1.00 0.00 H ATOM 115 HB2 LEU A 496 11.437 -5.806 0.474 1.00 0.00 H ATOM 116 HB3 LEU A 496 12.449 -4.995 1.692 1.00 0.00 H ATOM 117 HG LEU A 496 10.622 -3.461 2.215 1.00 0.00 H ATOM 118 HD21 LEU A 496 9.764 -6.382 2.227 1.00 0.00 H ATOM 119 HD22 LEU A 496 10.777 -5.580 3.452 1.00 0.00 H ATOM 120 HD23 LEU A 496 9.076 -5.095 3.248 1.00 0.00 H ATOM 121 HD11 LEU A 496 9.559 -3.372 0.018 1.00 0.00 H ATOM 122 HD12 LEU A 496 9.041 -5.067 0.187 1.00 0.00 H ATOM 123 HD13 LEU A 496 8.378 -3.821 1.273 1.00 0.00 H ATOM 124 H LEU A 496 13.957 -5.117 -0.186 1.00 0.00 H ATOM 125 N LEU A 497 13.303 -2.124 1.140 1.00 21.51 N ATOM 126 CA LEU A 497 13.476 -0.779 1.692 1.00 27.23 C ATOM 127 C LEU A 497 13.600 0.287 0.600 1.00 26.27 C ATOM 128 O LEU A 497 13.017 1.367 0.714 1.00 23.51 O ATOM 129 CB LEU A 497 14.696 -0.728 2.609 1.00 25.11 C ATOM 130 CG LEU A 497 14.568 -1.496 3.929 1.00 22.40 C ATOM 131 CD1 LEU A 497 15.937 -1.799 4.530 1.00 25.45 C ATOM 132 CD2 LEU A 497 13.688 -0.719 4.918 1.00 20.66 C ATOM 133 HA LEU A 497 12.578 -0.556 2.269 1.00 0.00 H ATOM 134 HB2 LEU A 497 15.544 -1.141 2.062 1.00 0.00 H ATOM 135 HB3 LEU A 497 14.893 0.317 2.847 1.00 0.00 H ATOM 136 HG LEU A 497 14.086 -2.451 3.720 1.00 0.00 H ATOM 137 HD21 LEU A 497 14.138 0.254 5.115 1.00 0.00 H ATOM 138 HD22 LEU A 497 12.695 -0.582 4.489 1.00 0.00 H ATOM 139 HD23 LEU A 497 13.608 -1.279 5.849 1.00 0.00 H ATOM 140 HD11 LEU A 497 16.513 -2.405 3.831 1.00 0.00 H ATOM 141 HD12 LEU A 497 16.463 -0.864 4.722 1.00 0.00 H ATOM 142 HD13 LEU A 497 15.809 -2.344 5.465 1.00 0.00 H ATOM 143 H LEU A 497 14.035 -2.842 1.315 1.00 0.00 H ATOM 144 N GLU A 498 14.375 -0.005 -0.443 1.00 25.79 N ATOM 145 CA GLU A 498 14.488 0.918 -1.571 1.00 29.04 C ATOM 146 C GLU A 498 13.141 1.073 -2.278 1.00 24.77 C ATOM 147 O GLU A 498 12.772 2.174 -2.686 1.00 27.91 O ATOM 148 CB GLU A 498 15.560 0.466 -2.569 1.00 31.94 C ATOM 149 CG GLU A 498 16.993 0.686 -2.099 1.00 35.02 C ATOM 150 CD GLU A 498 17.242 2.099 -1.576 1.00 42.68 C ATOM 151 OE1 GLU A 498 16.908 3.084 -2.277 1.00 37.63 O ATOM 152 OE2 GLU A 498 17.772 2.220 -0.450 1.00 45.78 O ATOM 153 HA GLU A 498 14.791 1.885 -1.170 1.00 0.00 H ATOM 154 HB2 GLU A 498 15.423 -0.599 -2.758 1.00 0.00 H ATOM 155 HB3 GLU A 498 15.417 1.020 -3.497 1.00 0.00 H ATOM 156 HG2 GLU A 498 17.209 -0.023 -1.300 1.00 0.00 H ATOM 157 HG3 GLU A 498 17.665 0.503 -2.937 1.00 0.00 H ATOM 158 H GLU A 498 14.906 -0.899 -0.455 1.00 0.00 H ATOM 159 N ALA A 499 12.403 -0.023 -2.398 1.00 21.56 N ATOM 160 CA ALA A 499 11.099 0.011 -3.052 1.00 24.37 C ATOM 161 C ALA A 499 10.143 0.883 -2.240 1.00 26.05 C ATOM 162 O ALA A 499 9.333 1.630 -2.791 1.00 21.93 O ATOM 163 CB ALA A 499 10.543 -1.387 -3.195 1.00 22.03 C ATOM 164 HA ALA A 499 11.212 0.436 -4.049 1.00 0.00 H ATOM 165 HB1 ALA A 499 11.226 -1.988 -3.795 1.00 0.00 H ATOM 166 HB2 ALA A 499 10.433 -1.836 -2.208 1.00 0.00 H ATOM 167 HB3 ALA A 499 9.570 -1.341 -3.685 1.00 0.00 H ATOM 168 H ALA A 499 12.761 -0.923 -2.019 1.00 0.00 H ATOM 169 N ALA A 500 10.240 0.787 -0.921 1.00 21.67 N ATOM 170 CA ALA A 500 9.398 1.599 -0.060 1.00 20.40 C ATOM 171 C ALA A 500 9.753 3.086 -0.175 1.00 20.29 C ATOM 172 O ALA A 500 8.868 3.931 -0.293 1.00 23.24 O ATOM 173 CB ALA A 500 9.481 1.102 1.399 1.00 18.39 C ATOM 174 HA ALA A 500 8.365 1.493 -0.391 1.00 0.00 H ATOM 175 HB1 ALA A 500 9.145 0.066 1.448 1.00 0.00 H ATOM 176 HB2 ALA A 500 10.512 1.168 1.746 1.00 0.00 H ATOM 177 HB3 ALA A 500 8.844 1.722 2.030 1.00 0.00 H ATOM 178 H ALA A 500 10.924 0.126 -0.500 1.00 0.00 H ATOM 179 N LYS A 501 11.047 3.399 -0.165 1.00 17.78 N ATOM 180 CA LYS A 501 11.513 4.780 -0.309 1.00 22.38 C ATOM 181 C LYS A 501 11.008 5.393 -1.605 1.00 25.07 C ATOM 182 O LYS A 501 10.687 6.583 -1.660 1.00 24.70 O ATOM 183 CB LYS A 501 13.038 4.837 -0.346 1.00 26.88 C ATOM 184 CG LYS A 501 13.757 4.733 0.971 1.00 33.94 C ATOM 185 CD LYS A 501 15.228 5.080 0.752 1.00 35.85 C ATOM 186 CE LYS A 501 16.149 4.271 1.650 1.00 39.64 C ATOM 187 NZ LYS A 501 17.585 4.426 1.259 1.00 40.51 N ATOM 188 HA LYS A 501 11.129 5.333 0.548 1.00 0.00 H ATOM 189 HB2 LYS A 501 13.383 4.016 -0.975 1.00 0.00 H ATOM 190 HB3 LYS A 501 13.321 5.786 -0.801 1.00 0.00 H ATOM 191 HG2 LYS A 501 13.318 5.429 1.686 1.00 0.00 H ATOM 192 HG3 LYS A 501 13.673 3.717 1.357 1.00 0.00 H ATOM 193 HD2 LYS A 501 15.485 4.879 -0.288 1.00 0.00 H ATOM 194 HD3 LYS A 501 15.374 6.139 0.962 1.00 0.00 H ATOM 195 HE2 LYS A 501 15.876 3.218 1.579 1.00 0.00 H ATOM 196 HE3 LYS A 501 16.025 4.609 2.679 1.00 0.00 H ATOM 197 HZ1 LYS A 501 17.714 4.099 0.280 1.00 0.00 H ATOM 198 HZ2 LYS A 501 17.856 5.427 1.330 1.00 0.00 H ATOM 199 HZ3 LYS A 501 18.180 3.858 1.896 1.00 0.00 H ATOM 200 H LYS A 501 11.748 2.640 -0.051 1.00 0.00 H ATOM 201 N ALA A 502 10.973 4.566 -2.653 1.00 22.33 N ATOM 202 CA ALA A 502 10.654 5.021 -4.005 1.00 22.72 C ATOM 203 C ALA A 502 9.153 5.064 -4.273 1.00 24.29 C ATOM 204 O ALA A 502 8.715 5.629 -5.276 1.00 29.88 O ATOM 205 CB ALA A 502 11.338 4.120 -5.036 1.00 24.44 C ATOM 206 HA ALA A 502 11.027 6.041 -4.093 1.00 0.00 H ATOM 207 HB1 ALA A 502 12.418 4.157 -4.890 1.00 0.00 H ATOM 208 HB2 ALA A 502 10.988 3.095 -4.910 1.00 0.00 H ATOM 209 HB3 ALA A 502 11.094 4.468 -6.040 1.00 0.00 H ATOM 210 H ALA A 502 11.181 3.558 -2.501 1.00 0.00 H ATOM 211 N GLY A 503 8.366 4.453 -3.394 1.00 17.27 N ATOM 212 CA GLY A 503 6.938 4.334 -3.636 1.00 18.69 C ATOM 213 C GLY A 503 6.632 3.326 -4.733 1.00 21.33 C ATOM 214 O GLY A 503 5.647 3.459 -5.458 1.00 26.02 O ATOM 215 HA3 GLY A 503 6.548 5.308 -3.933 1.00 0.00 H ATOM 216 HA2 GLY A 503 6.450 4.013 -2.716 1.00 0.00 H ATOM 217 H GLY A 503 8.776 4.056 -2.524 1.00 0.00 H ATOM 218 N ASP A 504 7.472 2.301 -4.840 1.00 21.33 N ATOM 219 CA ASP A 504 7.284 1.250 -5.841 1.00 26.66 C ATOM 220 C ASP A 504 6.380 0.138 -5.312 1.00 21.38 C ATOM 221 O ASP A 504 6.864 -0.900 -4.862 1.00 22.59 O ATOM 222 CB ASP A 504 8.640 0.667 -6.245 1.00 24.65 C ATOM 223 CG ASP A 504 8.543 -0.300 -7.409 1.00 31.95 C ATOM 224 OD1 ASP A 504 7.416 -0.637 -7.823 1.00 30.90 O ATOM 225 OD2 ASP A 504 9.603 -0.738 -7.898 1.00 25.96 O ATOM 226 HA ASP A 504 6.803 1.694 -6.712 1.00 0.00 H ATOM 227 HB2 ASP A 504 9.301 1.486 -6.527 1.00 0.00 H ATOM 228 HB3 ASP A 504 9.061 0.140 -5.389 1.00 0.00 H ATOM 229 H ASP A 504 8.285 2.244 -4.194 1.00 0.00 H ATOM 230 N VAL A 505 5.068 0.347 -5.379 1.00 21.87 N ATOM 231 CA VAL A 505 4.113 -0.610 -4.816 1.00 32.16 C ATOM 232 C VAL A 505 4.230 -2.013 -5.411 1.00 29.01 C ATOM 233 O VAL A 505 4.110 -3.014 -4.694 1.00 30.62 O ATOM 234 CB VAL A 505 2.657 -0.147 -4.998 1.00 40.95 C ATOM 235 CG1 VAL A 505 1.715 -1.080 -4.252 1.00 47.73 C ATOM 236 CG2 VAL A 505 2.492 1.256 -4.500 1.00 45.30 C ATOM 237 HA VAL A 505 4.371 -0.653 -3.758 1.00 0.00 H ATOM 238 HB VAL A 505 2.412 -0.172 -6.060 1.00 0.00 H ATOM 239 HG11 VAL A 505 1.821 -2.091 -4.644 1.00 0.00 H ATOM 240 HG12 VAL A 505 1.963 -1.073 -3.191 1.00 0.00 H ATOM 241 HG13 VAL A 505 0.688 -0.742 -4.388 1.00 0.00 H ATOM 242 HG21 VAL A 505 2.750 1.297 -3.442 1.00 0.00 H ATOM 243 HG22 VAL A 505 3.150 1.919 -5.062 1.00 0.00 H ATOM 244 HG23 VAL A 505 1.457 1.569 -4.636 1.00 0.00 H ATOM 245 H VAL A 505 4.713 1.208 -5.841 1.00 0.00 H ATOM 246 N GLU A 506 4.446 -2.099 -6.720 1.00 28.69 N ATOM 247 CA GLU A 506 4.519 -3.410 -7.351 1.00 33.30 C ATOM 248 C GLU A 506 5.687 -4.206 -6.784 1.00 32.32 C ATOM 249 O GLU A 506 5.563 -5.397 -6.525 1.00 32.85 O ATOM 250 CB GLU A 506 4.594 -3.302 -8.880 1.00 40.00 C ATOM 251 CG GLU A 506 5.829 -2.612 -9.409 1.00 42.94 C ATOM 252 CD GLU A 506 5.666 -2.176 -10.849 1.00 42.33 C ATOM 253 OE1 GLU A 506 6.066 -2.938 -11.755 1.00 43.20 O ATOM 254 OE2 GLU A 506 5.141 -1.064 -11.072 1.00 41.07 O ATOM 255 HA GLU A 506 3.599 -3.948 -7.122 1.00 0.00 H ATOM 256 HB2 GLU A 506 4.566 -4.310 -9.293 1.00 0.00 H ATOM 257 HB3 GLU A 506 3.722 -2.746 -9.224 1.00 0.00 H ATOM 258 HG2 GLU A 506 6.031 -1.733 -8.796 1.00 0.00 H ATOM 259 HG3 GLU A 506 6.672 -3.300 -9.343 1.00 0.00 H ATOM 260 H GLU A 506 4.562 -1.237 -7.289 1.00 0.00 H ATOM 261 N THR A 507 6.822 -3.547 -6.575 1.00 30.44 N ATOM 262 CA THR A 507 7.970 -4.232 -5.999 1.00 31.15 C ATOM 263 C THR A 507 7.722 -4.554 -4.527 1.00 32.69 C ATOM 264 O THR A 507 8.110 -5.617 -4.040 1.00 31.19 O ATOM 265 CB THR A 507 9.278 -3.433 -6.160 1.00 33.59 C ATOM 266 OG1 THR A 507 9.611 -3.317 -7.557 1.00 29.62 O ATOM 267 CG2 THR A 507 10.410 -4.150 -5.448 1.00 33.67 C ATOM 268 HA THR A 507 8.092 -5.162 -6.553 1.00 0.00 H ATOM 269 HB THR A 507 9.138 -2.442 -5.729 1.00 0.00 H ATOM 270 HG1 THR A 507 8.880 -2.848 -8.031 1.00 0.00 H ATOM 271 HG23 THR A 507 10.170 -4.244 -4.389 1.00 0.00 H ATOM 272 HG21 THR A 507 10.540 -5.141 -5.882 1.00 0.00 H ATOM 273 HG22 THR A 507 11.330 -3.578 -5.564 1.00 0.00 H ATOM 274 H THR A 507 6.890 -2.539 -6.824 1.00 0.00 H ATOM 275 N VAL A 508 7.073 -3.640 -3.814 1.00 22.31 N ATOM 276 CA VAL A 508 6.739 -3.900 -2.414 1.00 21.67 C ATOM 277 C VAL A 508 5.879 -5.157 -2.314 1.00 29.01 C ATOM 278 O VAL A 508 6.131 -6.027 -1.483 1.00 32.57 O ATOM 279 CB VAL A 508 6.016 -2.713 -1.772 1.00 23.28 C ATOM 280 CG1 VAL A 508 5.494 -3.093 -0.378 1.00 23.54 C ATOM 281 CG2 VAL A 508 6.960 -1.522 -1.687 1.00 22.84 C ATOM 282 HA VAL A 508 7.671 -4.050 -1.869 1.00 0.00 H ATOM 283 HB VAL A 508 5.161 -2.440 -2.390 1.00 0.00 H ATOM 284 HG11 VAL A 508 4.798 -3.927 -0.467 1.00 0.00 H ATOM 285 HG12 VAL A 508 6.332 -3.383 0.256 1.00 0.00 H ATOM 286 HG13 VAL A 508 4.983 -2.237 0.063 1.00 0.00 H ATOM 287 HG21 VAL A 508 7.826 -1.789 -1.081 1.00 0.00 H ATOM 288 HG22 VAL A 508 7.287 -1.247 -2.690 1.00 0.00 H ATOM 289 HG23 VAL A 508 6.440 -0.680 -1.229 1.00 0.00 H ATOM 290 H VAL A 508 6.802 -2.737 -4.253 1.00 0.00 H ATOM 291 N LYS A 509 4.874 -5.253 -3.180 1.00 31.63 N ATOM 292 CA LYS A 509 4.002 -6.419 -3.218 1.00 35.15 C ATOM 293 C LYS A 509 4.807 -7.702 -3.391 1.00 37.98 C ATOM 294 O LYS A 509 4.527 -8.702 -2.737 1.00 31.41 O ATOM 295 CB LYS A 509 2.974 -6.294 -4.345 1.00 42.92 C ATOM 296 CG LYS A 509 1.895 -5.255 -4.090 1.00 49.36 C ATOM 297 CD LYS A 509 0.903 -5.192 -5.244 1.00 54.71 C ATOM 298 CE LYS A 509 -0.206 -4.191 -4.952 1.00 58.47 C ATOM 299 NZ LYS A 509 -1.217 -4.142 -6.045 1.00 62.23 N ATOM 300 HA LYS A 509 3.475 -6.466 -2.265 1.00 0.00 H ATOM 301 HB2 LYS A 509 3.501 -6.023 -5.260 1.00 0.00 H ATOM 302 HB3 LYS A 509 2.492 -7.263 -4.478 1.00 0.00 H ATOM 303 HG2 LYS A 509 1.361 -5.515 -3.176 1.00 0.00 H ATOM 304 HG3 LYS A 509 2.364 -4.278 -3.971 1.00 0.00 H ATOM 305 HD2 LYS A 509 1.428 -4.890 -6.150 1.00 0.00 H ATOM 306 HD3 LYS A 509 0.464 -6.179 -5.392 1.00 0.00 H ATOM 307 HE2 LYS A 509 0.235 -3.201 -4.836 1.00 0.00 H ATOM 308 HE3 LYS A 509 -0.703 -4.477 -4.025 1.00 0.00 H ATOM 309 HZ1 LYS A 509 -0.753 -3.863 -6.933 1.00 0.00 H ATOM 310 HZ2 LYS A 509 -1.649 -5.081 -6.159 1.00 0.00 H ATOM 311 HZ3 LYS A 509 -1.953 -3.448 -5.804 1.00 0.00 H ATOM 312 H LYS A 509 4.706 -4.474 -3.848 1.00 0.00 H ATOM 313 N LYS A 510 5.815 -7.663 -4.260 1.00 37.77 N ATOM 314 CA LYS A 510 6.632 -8.844 -4.539 1.00 36.98 C ATOM 315 C LYS A 510 7.436 -9.307 -3.330 1.00 32.41 C ATOM 316 O LYS A 510 7.574 -10.509 -3.098 1.00 34.60 O ATOM 317 CB LYS A 510 7.601 -8.577 -5.694 1.00 42.70 C ATOM 318 CG LYS A 510 6.970 -8.425 -7.064 1.00 47.26 C ATOM 319 CD LYS A 510 8.048 -8.138 -8.100 1.00 45.21 C ATOM 320 CE LYS A 510 7.490 -8.113 -9.511 1.00 44.99 C ATOM 321 NZ LYS A 510 8.577 -7.980 -10.521 1.00 45.07 N ATOM 322 HA LYS A 510 5.930 -9.634 -4.807 1.00 0.00 H ATOM 323 HB2 LYS A 510 8.142 -7.657 -5.471 1.00 0.00 H ATOM 324 HB3 LYS A 510 8.304 -9.409 -5.740 1.00 0.00 H ATOM 325 HG2 LYS A 510 6.451 -9.346 -7.328 1.00 0.00 H ATOM 326 HG3 LYS A 510 6.257 -7.600 -7.045 1.00 0.00 H ATOM 327 HD2 LYS A 510 8.497 -7.169 -7.882 1.00 0.00 H ATOM 328 HD3 LYS A 510 8.812 -8.913 -8.037 1.00 0.00 H ATOM 329 HE2 LYS A 510 6.809 -7.268 -9.609 1.00 0.00 H ATOM 330 HE3 LYS A 510 6.946 -9.040 -9.694 1.00 0.00 H ATOM 331 HZ1 LYS A 510 9.097 -7.095 -10.355 1.00 0.00 H ATOM 332 HZ2 LYS A 510 9.228 -8.787 -10.436 1.00 0.00 H ATOM 333 HZ3 LYS A 510 8.163 -7.966 -11.475 1.00 0.00 H ATOM 334 H LYS A 510 6.027 -6.772 -4.752 1.00 0.00 H ATOM 335 N LEU A 511 7.968 -8.359 -2.560 1.00 27.09 N ATOM 336 CA LEU A 511 8.920 -8.698 -1.505 1.00 29.99 C ATOM 337 C LEU A 511 8.305 -8.789 -0.117 1.00 32.95 C ATOM 338 O LEU A 511 8.879 -9.403 0.781 1.00 34.03 O ATOM 339 CB LEU A 511 10.056 -7.679 -1.470 1.00 27.60 C ATOM 340 CG LEU A 511 10.852 -7.519 -2.767 1.00 29.86 C ATOM 341 CD1 LEU A 511 11.930 -6.475 -2.559 1.00 32.72 C ATOM 342 CD2 LEU A 511 11.452 -8.845 -3.170 1.00 36.28 C ATOM 343 HA LEU A 511 9.289 -9.692 -1.758 1.00 0.00 H ATOM 344 HB2 LEU A 511 9.627 -6.709 -1.220 1.00 0.00 H ATOM 345 HB3 LEU A 511 10.751 -7.981 -0.686 1.00 0.00 H ATOM 346 HG LEU A 511 10.193 -7.190 -3.571 1.00 0.00 H ATOM 347 HD21 LEU A 511 12.117 -9.196 -2.381 1.00 0.00 H ATOM 348 HD22 LEU A 511 10.654 -9.571 -3.325 1.00 0.00 H ATOM 349 HD23 LEU A 511 12.017 -8.721 -4.094 1.00 0.00 H ATOM 350 HD11 LEU A 511 11.467 -5.525 -2.292 1.00 0.00 H ATOM 351 HD12 LEU A 511 12.594 -6.796 -1.757 1.00 0.00 H ATOM 352 HD13 LEU A 511 12.501 -6.356 -3.480 1.00 0.00 H ATOM 353 H LEU A 511 7.702 -7.365 -2.712 1.00 0.00 H ATOM 354 N CYS A 512 7.148 -8.163 0.060 1.00 32.93 N ATOM 355 CA CYS A 512 6.573 -8.005 1.391 1.00 28.43 C ATOM 356 C CYS A 512 6.070 -9.322 1.956 1.00 29.40 C ATOM 357 O CYS A 512 5.150 -9.939 1.412 1.00 30.25 O ATOM 358 CB CYS A 512 5.453 -6.964 1.367 1.00 29.80 C ATOM 359 SG CYS A 512 4.785 -6.557 2.995 1.00 33.39 S ATOM 360 HA CYS A 512 7.367 -7.655 2.051 1.00 0.00 H ATOM 361 HB2 CYS A 512 4.641 -7.349 0.751 1.00 0.00 H ATOM 362 HB3 CYS A 512 5.845 -6.050 0.920 1.00 0.00 H ATOM 363 HG CYS A 512 3.787 -5.614 2.858 1.00 0.00 H ATOM 364 H CYS A 512 6.643 -7.779 -0.764 1.00 0.00 H ATOM 365 N THR A 513 6.693 -9.760 3.047 1.00 28.38 N ATOM 366 CA THR A 513 6.259 -10.963 3.743 1.00 33.82 C ATOM 367 C THR A 513 6.161 -10.677 5.224 1.00 29.47 C ATOM 368 O THR A 513 6.536 -9.602 5.688 1.00 26.60 O ATOM 369 CB THR A 513 7.260 -12.124 3.587 1.00 35.18 C ATOM 370 OG1 THR A 513 8.506 -11.760 4.203 1.00 29.84 O ATOM 371 CG2 THR A 513 7.478 -12.464 2.117 1.00 35.75 C ATOM 372 HA THR A 513 5.301 -11.247 3.308 1.00 0.00 H ATOM 373 HB THR A 513 6.853 -13.008 4.077 1.00 0.00 H ATOM 374 HG1 THR A 513 9.151 -12.504 4.104 1.00 0.00 H ATOM 375 HG23 THR A 513 6.525 -12.738 1.664 1.00 0.00 H ATOM 376 HG21 THR A 513 7.891 -11.597 1.602 1.00 0.00 H ATOM 377 HG22 THR A 513 8.173 -13.300 2.038 1.00 0.00 H ATOM 378 H THR A 513 7.510 -9.230 3.412 1.00 0.00 H ATOM 379 N VAL A 514 5.663 -11.664 5.956 1.00 31.18 N ATOM 380 CA VAL A 514 5.668 -11.644 7.405 1.00 34.73 C ATOM 381 C VAL A 514 7.057 -11.298 7.928 1.00 35.71 C ATOM 382 O VAL A 514 7.204 -10.522 8.867 1.00 38.26 O ATOM 383 CB VAL A 514 5.277 -13.029 7.950 1.00 38.48 C ATOM 384 CG1 VAL A 514 5.802 -13.218 9.369 1.00 42.47 C ATOM 385 CG2 VAL A 514 3.768 -13.232 7.863 1.00 40.59 C ATOM 386 HA VAL A 514 4.952 -10.892 7.736 1.00 0.00 H ATOM 387 HB VAL A 514 5.743 -13.795 7.331 1.00 0.00 H ATOM 388 HG11 VAL A 514 6.889 -13.134 9.367 1.00 0.00 H ATOM 389 HG12 VAL A 514 5.378 -12.451 10.017 1.00 0.00 H ATOM 390 HG13 VAL A 514 5.514 -14.204 9.733 1.00 0.00 H ATOM 391 HG21 VAL A 514 3.265 -12.465 8.452 1.00 0.00 H ATOM 392 HG22 VAL A 514 3.452 -13.159 6.822 1.00 0.00 H ATOM 393 HG23 VAL A 514 3.512 -14.217 8.253 1.00 0.00 H ATOM 394 H VAL A 514 5.252 -12.487 5.470 1.00 0.00 H ATOM 395 N GLN A 515 8.075 -11.883 7.308 1.00 35.74 N ATOM 396 CA GLN A 515 9.455 -11.735 7.766 1.00 39.98 C ATOM 397 C GLN A 515 10.088 -10.377 7.426 1.00 36.49 C ATOM 398 O GLN A 515 10.958 -9.903 8.154 1.00 38.50 O ATOM 399 CB GLN A 515 10.316 -12.877 7.206 1.00 45.30 C ATOM 400 CG GLN A 515 11.796 -12.802 7.552 1.00 45.17 C ATOM 401 CD GLN A 515 12.577 -13.991 7.019 1.00 46.23 C ATOM 402 OE1 GLN A 515 12.295 -15.138 7.365 1.00 47.67 O ATOM 403 NE2 GLN A 515 13.559 -13.721 6.166 1.00 45.75 N ATOM 404 HA GLN A 515 9.421 -11.782 8.854 1.00 0.00 H ATOM 405 HB2 GLN A 515 9.925 -13.817 7.596 1.00 0.00 H ATOM 406 HB3 GLN A 515 10.222 -12.869 6.120 1.00 0.00 H ATOM 407 HG2 GLN A 515 12.210 -11.890 7.122 1.00 0.00 H ATOM 408 HG3 GLN A 515 11.901 -12.772 8.637 1.00 0.00 H ATOM 409 HE22 GLN A 515 13.762 -12.736 5.902 1.00 0.00 H ATOM 410 HE21 GLN A 515 14.125 -14.495 5.762 1.00 0.00 H ATOM 411 H GLN A 515 7.884 -12.466 6.468 1.00 0.00 H ATOM 412 N SER A 516 9.643 -9.752 6.337 1.00 27.19 N ATOM 413 CA SER A 516 10.326 -8.572 5.795 1.00 26.28 C ATOM 414 C SER A 516 9.585 -7.252 6.015 1.00 24.47 C ATOM 415 O SER A 516 10.189 -6.178 5.976 1.00 29.02 O ATOM 416 CB SER A 516 10.557 -8.762 4.297 1.00 27.22 C ATOM 417 OG SER A 516 9.318 -8.859 3.613 1.00 27.32 O ATOM 418 HA SER A 516 11.264 -8.495 6.344 1.00 0.00 H ATOM 419 HB2 SER A 516 11.129 -9.675 4.135 1.00 0.00 H ATOM 420 HB3 SER A 516 11.116 -7.911 3.909 1.00 0.00 H ATOM 421 HG SER A 516 9.485 -8.982 2.645 1.00 0.00 H ATOM 422 H SER A 516 8.791 -10.109 5.859 1.00 0.00 H ATOM 423 N VAL A 517 8.279 -7.332 6.235 1.00 25.92 N ATOM 424 CA VAL A 517 7.440 -6.139 6.290 1.00 22.70 C ATOM 425 C VAL A 517 7.946 -5.129 7.322 1.00 29.06 C ATOM 426 O VAL A 517 7.836 -3.917 7.126 1.00 24.32 O ATOM 427 CB VAL A 517 5.956 -6.494 6.559 1.00 26.94 C ATOM 428 CG1 VAL A 517 5.787 -7.146 7.930 1.00 29.99 C ATOM 429 CG2 VAL A 517 5.074 -5.260 6.422 1.00 26.39 C ATOM 430 HA VAL A 517 7.503 -5.671 5.308 1.00 0.00 H ATOM 431 HB VAL A 517 5.639 -7.219 5.809 1.00 0.00 H ATOM 432 HG11 VAL A 517 6.378 -8.061 7.971 1.00 0.00 H ATOM 433 HG12 VAL A 517 6.127 -6.457 8.703 1.00 0.00 H ATOM 434 HG13 VAL A 517 4.735 -7.384 8.091 1.00 0.00 H ATOM 435 HG21 VAL A 517 5.392 -4.506 7.141 1.00 0.00 H ATOM 436 HG22 VAL A 517 5.164 -4.861 5.412 1.00 0.00 H ATOM 437 HG23 VAL A 517 4.037 -5.533 6.615 1.00 0.00 H ATOM 438 H VAL A 517 7.843 -8.266 6.371 1.00 0.00 H ATOM 439 N ASN A 518 8.508 -5.635 8.415 1.00 23.09 N ATOM 440 CA ASN A 518 9.082 -4.778 9.450 1.00 22.95 C ATOM 441 C ASN A 518 10.597 -4.905 9.614 1.00 25.17 C ATOM 442 O ASN A 518 11.138 -4.702 10.715 1.00 23.99 O ATOM 443 CB ASN A 518 8.382 -5.019 10.782 1.00 24.41 C ATOM 444 CG ASN A 518 6.956 -4.520 10.773 1.00 25.83 C ATOM 445 OD1 ASN A 518 6.672 -3.452 10.232 1.00 24.98 O ATOM 446 ND2 ASN A 518 6.046 -5.300 11.349 1.00 26.08 N ATOM 447 HA ASN A 518 8.911 -3.756 9.113 1.00 0.00 H ATOM 448 HB2 ASN A 518 8.379 -6.089 10.989 1.00 0.00 H ATOM 449 HB3 ASN A 518 8.931 -4.500 11.567 1.00 0.00 H ATOM 450 HD22 ASN A 518 6.335 -6.195 11.794 1.00 0.00 H ATOM 451 HD21 ASN A 518 5.046 -5.015 11.355 1.00 0.00 H ATOM 452 H ASN A 518 8.540 -6.667 8.537 1.00 0.00 H ATOM 453 N CYS A 519 11.282 -5.244 8.525 1.00 24.18 N ATOM 454 CA CYS A 519 12.742 -5.318 8.557 1.00 29.77 C ATOM 455 C CYS A 519 13.321 -3.935 8.880 1.00 27.80 C ATOM 456 O CYS A 519 12.646 -2.921 8.696 1.00 24.34 O ATOM 457 CB CYS A 519 13.293 -5.858 7.229 1.00 25.28 C ATOM 458 SG CYS A 519 13.112 -4.729 5.803 1.00 26.58 S ATOM 459 HA CYS A 519 13.046 -6.013 9.340 1.00 0.00 H ATOM 460 HB2 CYS A 519 12.768 -6.784 6.996 1.00 0.00 H ATOM 461 HB3 CYS A 519 14.354 -6.067 7.363 1.00 0.00 H ATOM 462 HG CYS A 519 11.774 -4.461 5.598 1.00 0.00 H ATOM 463 H CYS A 519 10.774 -5.458 7.643 1.00 0.00 H ATOM 464 N ARG A 520 14.550 -3.895 9.389 1.00 26.56 N ATOM 465 CA ARG A 520 15.199 -2.626 9.719 1.00 26.94 C ATOM 466 C ARG A 520 16.355 -2.331 8.771 1.00 26.87 C ATOM 467 O ARG A 520 17.119 -3.228 8.420 1.00 35.23 O ATOM 468 CB ARG A 520 15.730 -2.628 11.153 1.00 33.05 C ATOM 469 CG ARG A 520 14.710 -2.952 12.231 1.00 38.61 C ATOM 470 CD ARG A 520 13.502 -2.048 12.145 1.00 37.29 C ATOM 471 NE ARG A 520 12.701 -2.116 13.366 1.00 39.92 N ATOM 472 CZ ARG A 520 12.649 -1.152 14.279 1.00 38.32 C ATOM 473 NH1 ARG A 520 13.339 -0.033 14.108 1.00 36.97 N ATOM 474 NH2 ARG A 520 11.898 -1.303 15.361 1.00 37.46 N ATOM 475 HA ARG A 520 14.439 -1.851 9.616 1.00 0.00 H ATOM 476 HB2 ARG A 520 16.529 -3.367 11.214 1.00 0.00 H ATOM 477 HB3 ARG A 520 16.136 -1.638 11.362 1.00 0.00 H ATOM 478 HG2 ARG A 520 14.387 -3.986 12.113 1.00 0.00 H ATOM 479 HG3 ARG A 520 15.176 -2.827 13.208 1.00 0.00 H ATOM 480 HD2 ARG A 520 12.887 -2.355 11.299 1.00 0.00 H ATOM 481 HD3 ARG A 520 13.836 -1.021 11.996 1.00 0.00 H ATOM 482 HE ARG A 520 12.136 -2.973 13.531 1.00 0.00 H ATOM 483 HH12 ARG A 520 13.296 0.719 14.825 1.00 0.00 H ATOM 484 HH11 ARG A 520 13.924 0.093 13.257 1.00 0.00 H ATOM 485 HH22 ARG A 520 11.858 -0.548 16.075 1.00 0.00 H ATOM 486 HH21 ARG A 520 11.349 -2.176 15.495 1.00 0.00 H ATOM 487 H ARG A 520 15.060 -4.786 9.556 1.00 0.00 H ATOM 488 N ASP A 521 16.474 -1.069 8.365 1.00 22.46 N ATOM 489 CA ASP A 521 17.612 -0.594 7.581 1.00 23.19 C ATOM 490 C ASP A 521 18.853 -0.418 8.456 1.00 25.12 C ATOM 491 O ASP A 521 19.037 0.629 9.085 1.00 25.66 O ATOM 492 CB ASP A 521 17.279 0.745 6.928 1.00 29.69 C ATOM 493 CG ASP A 521 18.320 1.167 5.905 1.00 37.55 C ATOM 494 OD1 ASP A 521 17.983 1.969 5.011 1.00 43.94 O ATOM 495 OD2 ASP A 521 19.470 0.688 5.988 1.00 32.26 O ATOM 496 HA ASP A 521 17.820 -1.343 6.817 1.00 0.00 H ATOM 497 HB2 ASP A 521 16.313 0.661 6.430 1.00 0.00 H ATOM 498 HB3 ASP A 521 17.221 1.508 7.704 1.00 0.00 H ATOM 499 H ASP A 521 15.725 -0.392 8.616 1.00 0.00 H ATOM 500 N ILE A 522 19.720 -1.424 8.461 1.00 32.56 N ATOM 501 CA ILE A 522 20.907 -1.416 9.309 1.00 37.52 C ATOM 502 C ILE A 522 21.897 -0.319 8.918 1.00 37.95 C ATOM 503 O ILE A 522 22.620 0.209 9.765 1.00 34.20 O ATOM 504 CB ILE A 522 21.628 -2.773 9.257 1.00 46.44 C ATOM 505 CG1 ILE A 522 20.651 -3.905 9.576 1.00 51.84 C ATOM 506 CG2 ILE A 522 22.814 -2.790 10.215 1.00 48.65 C ATOM 507 CD1 ILE A 522 20.025 -3.802 10.948 1.00 52.84 C ATOM 508 HA ILE A 522 20.555 -1.218 10.321 1.00 0.00 H ATOM 509 HB ILE A 522 22.011 -2.925 8.248 1.00 0.00 H ATOM 510 HG12 ILE A 522 19.854 -3.891 8.832 1.00 0.00 H ATOM 511 HG13 ILE A 522 21.189 -4.851 9.513 1.00 0.00 H ATOM 512 HD11 ILE A 522 20.808 -3.826 11.706 1.00 0.00 H ATOM 513 HD12 ILE A 522 19.472 -2.866 11.024 1.00 0.00 H ATOM 514 HD13 ILE A 522 19.345 -4.640 11.099 1.00 0.00 H ATOM 515 HG21 ILE A 522 23.517 -2.006 9.935 1.00 0.00 H ATOM 516 HG22 ILE A 522 22.461 -2.617 11.232 1.00 0.00 H ATOM 517 HG23 ILE A 522 23.309 -3.760 10.161 1.00 0.00 H ATOM 518 H ILE A 522 19.548 -2.242 7.842 1.00 0.00 H ATOM 519 N GLU A 523 21.929 0.021 7.636 1.00 39.60 N ATOM 520 CA GLU A 523 22.919 0.973 7.139 1.00 49.07 C ATOM 521 C GLU A 523 22.526 2.415 7.422 1.00 44.41 C ATOM 522 O GLU A 523 23.371 3.310 7.396 1.00 48.01 O ATOM 523 CB GLU A 523 23.189 0.763 5.647 1.00 53.61 C ATOM 524 CG GLU A 523 24.062 -0.445 5.357 1.00 62.89 C ATOM 525 CD GLU A 523 25.381 -0.402 6.113 1.00 73.16 C ATOM 526 OE1 GLU A 523 25.924 -1.483 6.428 1.00 77.21 O ATOM 527 OE2 GLU A 523 25.877 0.713 6.393 1.00 77.02 O ATOM 528 HA GLU A 523 23.843 0.780 7.684 1.00 0.00 H ATOM 529 HB2 GLU A 523 22.234 0.630 5.138 1.00 0.00 H ATOM 530 HB3 GLU A 523 23.687 1.651 5.257 1.00 0.00 H ATOM 531 HG2 GLU A 523 23.521 -1.346 5.647 1.00 0.00 H ATOM 532 HG3 GLU A 523 24.272 -0.477 4.288 1.00 0.00 H ATOM 533 H GLU A 523 21.241 -0.395 6.977 1.00 0.00 H ATOM 534 N GLY A 524 21.243 2.631 7.699 1.00 33.82 N ATOM 535 CA GLY A 524 20.761 3.945 8.076 1.00 41.08 C ATOM 536 C GLY A 524 20.494 4.043 9.568 1.00 40.88 C ATOM 537 O GLY A 524 21.396 3.839 10.386 1.00 40.84 O ATOM 538 HA3 GLY A 524 19.835 4.149 7.538 1.00 0.00 H ATOM 539 HA2 GLY A 524 21.510 4.688 7.802 1.00 0.00 H ATOM 540 H GLY A 524 20.571 1.839 7.644 1.00 0.00 H ATOM 541 N ARG A 525 19.245 4.339 9.917 1.00 26.20 N ATOM 542 CA ARG A 525 18.844 4.542 11.312 1.00 29.31 C ATOM 543 C ARG A 525 17.893 3.457 11.814 1.00 24.62 C ATOM 544 O ARG A 525 17.077 3.715 12.701 1.00 22.29 O ATOM 545 CB ARG A 525 18.153 5.899 11.484 1.00 30.39 C ATOM 546 CG ARG A 525 18.865 7.091 10.868 1.00 37.16 C ATOM 547 CD ARG A 525 18.059 8.369 11.083 1.00 32.72 C ATOM 548 NE ARG A 525 18.545 9.471 10.253 1.00 36.36 N ATOM 549 CZ ARG A 525 18.033 10.699 10.265 1.00 37.25 C ATOM 550 NH1 ARG A 525 18.534 11.638 9.474 1.00 44.56 N ATOM 551 NH2 ARG A 525 17.026 10.993 11.076 1.00 27.66 N ATOM 552 HA ARG A 525 19.762 4.500 11.898 1.00 0.00 H ATOM 553 HB2 ARG A 525 17.164 5.830 11.031 1.00 0.00 H ATOM 554 HB3 ARG A 525 18.049 6.088 12.552 1.00 0.00 H ATOM 555 HG2 ARG A 525 19.845 7.203 11.333 1.00 0.00 H ATOM 556 HG3 ARG A 525 18.989 6.921 9.798 1.00 0.00 H ATOM 557 HD2 ARG A 525 18.132 8.659 12.131 1.00 0.00 H ATOM 558 HD3 ARG A 525 17.016 8.174 10.833 1.00 0.00 H ATOM 559 HE ARG A 525 19.342 9.283 9.612 1.00 0.00 H ATOM 560 HH12 ARG A 525 18.132 12.597 9.486 1.00 0.00 H ATOM 561 HH11 ARG A 525 19.329 11.416 8.842 1.00 0.00 H ATOM 562 HH22 ARG A 525 16.628 11.954 11.083 1.00 0.00 H ATOM 563 HH21 ARG A 525 16.634 10.263 11.705 1.00 0.00 H ATOM 564 H ARG A 525 18.526 4.430 9.172 1.00 0.00 H ATOM 565 N GLN A 526 17.989 2.251 11.254 1.00 24.49 N ATOM 566 CA GLN A 526 17.087 1.163 11.638 1.00 30.75 C ATOM 567 C GLN A 526 15.640 1.487 11.263 1.00 26.43 C ATOM 568 O GLN A 526 14.710 0.974 11.880 1.00 24.66 O ATOM 569 CB GLN A 526 17.170 0.865 13.140 1.00 24.46 C ATOM 570 CG GLN A 526 18.586 0.613 13.670 1.00 36.14 C ATOM 571 CD GLN A 526 19.044 -0.832 13.512 1.00 50.21 C ATOM 572 OE1 GLN A 526 18.255 -1.771 13.653 1.00 51.18 O ATOM 573 NE2 GLN A 526 20.329 -1.015 13.225 1.00 55.42 N ATOM 574 HA GLN A 526 17.408 0.278 11.089 1.00 0.00 H ATOM 575 HB2 GLN A 526 16.753 1.716 13.678 1.00 0.00 H ATOM 576 HB3 GLN A 526 16.569 -0.021 13.343 1.00 0.00 H ATOM 577 HG2 GLN A 526 19.278 1.256 13.127 1.00 0.00 H ATOM 578 HG3 GLN A 526 18.609 0.869 14.729 1.00 0.00 H ATOM 579 HE22 GLN A 526 20.959 -0.195 13.115 1.00 0.00 H ATOM 580 HE21 GLN A 526 20.704 -1.978 13.111 1.00 0.00 H ATOM 581 H GLN A 526 18.717 2.080 10.532 1.00 0.00 H ATOM 582 N SER A 527 15.471 2.345 10.261 1.00 19.87 N ATOM 583 CA SER A 527 14.158 2.670 9.709 1.00 20.63 C ATOM 584 C SER A 527 13.514 1.418 9.130 1.00 23.54 C ATOM 585 O SER A 527 14.200 0.571 8.560 1.00 25.35 O ATOM 586 CB SER A 527 14.295 3.704 8.584 1.00 18.62 C ATOM 587 OG SER A 527 14.887 4.903 9.044 1.00 26.85 O ATOM 588 HA SER A 527 13.542 3.075 10.512 1.00 0.00 H ATOM 589 HB2 SER A 527 13.305 3.928 8.188 1.00 0.00 H ATOM 590 HB3 SER A 527 14.916 3.285 7.792 1.00 0.00 H ATOM 591 HG SER A 527 14.326 5.293 9.760 1.00 0.00 H ATOM 592 H SER A 527 16.310 2.805 9.853 1.00 0.00 H ATOM 593 N THR A 528 12.197 1.310 9.278 1.00 19.80 N ATOM 594 CA THR A 528 11.433 0.232 8.666 1.00 19.60 C ATOM 595 C THR A 528 10.945 0.706 7.303 1.00 18.42 C ATOM 596 O THR A 528 11.023 1.900 6.997 1.00 16.27 O ATOM 597 CB THR A 528 10.197 -0.135 9.518 1.00 19.84 C ATOM 598 OG1 THR A 528 9.408 1.040 9.748 1.00 17.16 O ATOM 599 CG2 THR A 528 10.614 -0.737 10.842 1.00 18.75 C ATOM 600 HA THR A 528 12.075 -0.645 8.583 1.00 0.00 H ATOM 601 HB THR A 528 9.608 -0.874 8.975 1.00 0.00 H ATOM 602 HG1 THR A 528 9.952 1.713 10.229 1.00 0.00 H ATOM 603 HG23 THR A 528 11.213 -1.629 10.661 1.00 0.00 H ATOM 604 HG21 THR A 528 11.203 -0.010 11.401 1.00 0.00 H ATOM 605 HG22 THR A 528 9.726 -1.004 11.414 1.00 0.00 H ATOM 606 H THR A 528 11.696 2.019 9.850 1.00 0.00 H ATOM 607 N PRO A 529 10.449 -0.223 6.469 1.00 18.67 N ATOM 608 CA PRO A 529 9.895 0.255 5.200 1.00 20.74 C ATOM 609 C PRO A 529 8.830 1.331 5.431 1.00 17.39 C ATOM 610 O PRO A 529 8.771 2.293 4.670 1.00 18.56 O ATOM 611 CB PRO A 529 9.278 -1.010 4.589 1.00 17.52 C ATOM 612 CG PRO A 529 10.144 -2.138 5.124 1.00 19.19 C ATOM 613 CD PRO A 529 10.503 -1.696 6.542 1.00 19.58 C ATOM 614 HA PRO A 529 10.642 0.720 4.557 1.00 0.00 H ATOM 615 HD3 PRO A 529 9.781 -2.077 7.264 1.00 0.00 H ATOM 616 HD2 PRO A 529 11.502 -2.036 6.815 1.00 0.00 H ATOM 617 HG3 PRO A 529 11.042 -2.258 4.517 1.00 0.00 H ATOM 618 HG2 PRO A 529 9.590 -3.077 5.140 1.00 0.00 H ATOM 619 HB2 PRO A 529 8.243 -1.130 4.910 1.00 0.00 H ATOM 620 HB3 PRO A 529 9.318 -0.974 3.500 1.00 0.00 H ATOM 621 N LEU A 530 8.010 1.178 6.468 1.00 17.46 N ATOM 622 CA LEU A 530 6.980 2.171 6.771 1.00 18.49 C ATOM 623 C LEU A 530 7.551 3.544 7.165 1.00 19.36 C ATOM 624 O LEU A 530 6.961 4.569 6.844 1.00 17.60 O ATOM 625 CB LEU A 530 6.028 1.672 7.856 1.00 17.43 C ATOM 626 CG LEU A 530 4.884 2.632 8.194 1.00 15.31 C ATOM 627 CD1 LEU A 530 3.950 2.774 7.016 1.00 19.66 C ATOM 628 CD2 LEU A 530 4.126 2.112 9.417 1.00 19.06 C ATOM 629 HA LEU A 530 6.427 2.309 5.842 1.00 0.00 H ATOM 630 HB2 LEU A 530 5.594 0.730 7.520 1.00 0.00 H ATOM 631 HB3 LEU A 530 6.607 1.500 8.763 1.00 0.00 H ATOM 632 HG LEU A 530 5.297 3.615 8.421 1.00 0.00 H ATOM 633 HD21 LEU A 530 3.720 1.124 9.198 1.00 0.00 H ATOM 634 HD22 LEU A 530 4.808 2.046 10.265 1.00 0.00 H ATOM 635 HD23 LEU A 530 3.312 2.796 9.656 1.00 0.00 H ATOM 636 HD11 LEU A 530 4.502 3.166 6.162 1.00 0.00 H ATOM 637 HD12 LEU A 530 3.533 1.799 6.765 1.00 0.00 H ATOM 638 HD13 LEU A 530 3.143 3.460 7.274 1.00 0.00 H ATOM 639 H LEU A 530 8.103 0.338 7.073 1.00 0.00 H ATOM 640 N HIS A 531 8.685 3.573 7.867 1.00 19.58 N ATOM 641 CA HIS A 531 9.354 4.853 8.138 1.00 14.26 C ATOM 642 C HIS A 531 9.697 5.590 6.840 1.00 14.40 C ATOM 643 O HIS A 531 9.497 6.813 6.728 1.00 15.68 O ATOM 644 CB HIS A 531 10.662 4.635 8.896 1.00 14.28 C ATOM 645 CG HIS A 531 10.495 4.466 10.372 1.00 19.09 C ATOM 646 ND1 HIS A 531 10.423 3.229 10.973 1.00 18.64 N ATOM 647 CD2 HIS A 531 10.421 5.378 11.371 1.00 18.43 C ATOM 648 CE1 HIS A 531 10.302 3.385 12.279 1.00 25.22 C ATOM 649 NE2 HIS A 531 10.298 4.678 12.547 1.00 17.44 N ATOM 650 HA HIS A 531 8.659 5.445 8.734 1.00 0.00 H ATOM 651 HB2 HIS A 531 11.141 3.739 8.501 1.00 0.00 H ATOM 652 HB3 HIS A 531 11.306 5.497 8.721 1.00 0.00 H ATOM 653 HD2 HIS A 531 10.453 6.462 11.262 1.00 0.00 H ATOM 654 HE1 HIS A 531 10.219 2.582 13.012 1.00 0.00 H ATOM 655 H HIS A 531 9.097 2.687 8.224 1.00 0.00 H ATOM 656 N PHE A 532 10.250 4.851 5.878 1.00 14.99 N ATOM 657 CA PHE A 532 10.667 5.441 4.611 1.00 17.22 C ATOM 658 C PHE A 532 9.447 5.882 3.801 1.00 16.39 C ATOM 659 O PHE A 532 9.391 7.013 3.319 1.00 18.94 O ATOM 660 CB PHE A 532 11.509 4.455 3.790 1.00 19.39 C ATOM 661 CG PHE A 532 12.948 4.341 4.242 1.00 20.18 C ATOM 662 CD1 PHE A 532 13.725 5.470 4.450 1.00 21.64 C ATOM 663 CD2 PHE A 532 13.522 3.096 4.453 1.00 24.75 C ATOM 664 CE1 PHE A 532 15.057 5.362 4.861 1.00 22.87 C ATOM 665 CE2 PHE A 532 14.846 2.981 4.864 1.00 29.59 C ATOM 666 CZ PHE A 532 15.614 4.116 5.064 1.00 26.44 C ATOM 667 HA PHE A 532 11.282 6.313 4.836 1.00 0.00 H ATOM 668 HB2 PHE A 532 11.049 3.470 3.862 1.00 0.00 H ATOM 669 HB3 PHE A 532 11.502 4.782 2.750 1.00 0.00 H ATOM 670 HD2 PHE A 532 12.928 2.196 4.295 1.00 0.00 H ATOM 671 HE2 PHE A 532 15.280 1.995 5.029 1.00 0.00 H ATOM 672 HZ PHE A 532 16.653 4.025 5.380 1.00 0.00 H ATOM 673 HE1 PHE A 532 15.654 6.260 5.021 1.00 0.00 H ATOM 674 HD1 PHE A 532 13.291 6.457 4.291 1.00 0.00 H ATOM 675 H PHE A 532 10.387 3.832 6.034 1.00 0.00 H ATOM 676 N ALA A 533 8.472 4.989 3.654 1.00 16.20 N ATOM 677 CA ALA A 533 7.271 5.322 2.898 1.00 17.01 C ATOM 678 C ALA A 533 6.594 6.548 3.503 1.00 16.41 C ATOM 679 O ALA A 533 6.101 7.414 2.778 1.00 17.92 O ATOM 680 CB ALA A 533 6.310 4.120 2.837 1.00 15.47 C ATOM 681 HA ALA A 533 7.556 5.562 1.874 1.00 0.00 H ATOM 682 HB1 ALA A 533 6.809 3.281 2.352 1.00 0.00 H ATOM 683 HB2 ALA A 533 6.021 3.836 3.849 1.00 0.00 H ATOM 684 HB3 ALA A 533 5.422 4.395 2.268 1.00 0.00 H ATOM 685 H ALA A 533 8.567 4.046 4.082 1.00 0.00 H ATOM 686 N ALA A 534 6.598 6.649 4.832 1.00 14.99 N ATOM 687 CA ALA A 534 5.968 7.799 5.490 1.00 15.96 C ATOM 688 C ALA A 534 6.714 9.127 5.262 1.00 14.68 C ATOM 689 O ALA A 534 6.097 10.156 4.959 1.00 16.08 O ATOM 690 CB ALA A 534 5.754 7.539 7.006 1.00 13.83 C ATOM 691 HA ALA A 534 4.994 7.911 5.013 1.00 0.00 H ATOM 692 HB1 ALA A 534 5.110 6.670 7.137 1.00 0.00 H ATOM 693 HB2 ALA A 534 6.717 7.354 7.481 1.00 0.00 H ATOM 694 HB3 ALA A 534 5.285 8.412 7.460 1.00 0.00 H ATOM 695 H ALA A 534 7.050 5.909 5.406 1.00 0.00 H ATOM 696 N GLY A 535 8.034 9.110 5.416 1.00 14.15 N ATOM 697 CA GLY A 535 8.814 10.328 5.257 1.00 16.50 C ATOM 698 C GLY A 535 8.831 10.863 3.830 1.00 16.16 C ATOM 699 O GLY A 535 8.885 12.079 3.629 1.00 17.05 O ATOM 700 HA3 GLY A 535 9.841 10.121 5.560 1.00 0.00 H ATOM 701 HA2 GLY A 535 8.392 11.094 5.907 1.00 0.00 H ATOM 702 H GLY A 535 8.514 8.218 5.652 1.00 0.00 H ATOM 703 N TYR A 536 8.798 9.955 2.850 1.00 16.78 N ATOM 704 CA TYR A 536 8.839 10.336 1.433 1.00 19.15 C ATOM 705 C TYR A 536 7.460 10.375 0.746 1.00 19.78 C ATOM 706 O TYR A 536 7.368 10.355 -0.487 1.00 20.06 O ATOM 707 CB TYR A 536 9.809 9.426 0.656 1.00 18.68 C ATOM 708 CG TYR A 536 11.252 9.638 1.030 1.00 19.90 C ATOM 709 CD1 TYR A 536 11.991 8.634 1.642 1.00 26.00 C ATOM 710 CD2 TYR A 536 11.868 10.858 0.803 1.00 22.60 C ATOM 711 CE1 TYR A 536 13.321 8.838 1.993 1.00 27.47 C ATOM 712 CE2 TYR A 536 13.184 11.069 1.145 1.00 26.72 C ATOM 713 CZ TYR A 536 13.908 10.058 1.735 1.00 27.13 C ATOM 714 OH TYR A 536 15.220 10.287 2.069 1.00 28.35 O ATOM 715 HA TYR A 536 9.204 11.363 1.414 1.00 0.00 H ATOM 716 HB3 TYR A 536 9.694 9.627 -0.409 1.00 0.00 H ATOM 717 HB2 TYR A 536 9.547 8.387 0.859 1.00 0.00 H ATOM 718 HD2 TYR A 536 11.299 11.667 0.344 1.00 0.00 H ATOM 719 HE2 TYR A 536 13.652 12.034 0.949 1.00 0.00 H ATOM 720 HE1 TYR A 536 13.894 8.041 2.467 1.00 0.00 H ATOM 721 HD1 TYR A 536 11.522 7.672 1.850 1.00 0.00 H ATOM 722 HH TYR A 536 15.269 11.037 2.713 1.00 0.00 H ATOM 723 H TYR A 536 8.742 8.947 3.099 1.00 0.00 H ATOM 724 N ASN A 537 6.401 10.454 1.549 1.00 17.23 N ATOM 725 CA ASN A 537 5.038 10.635 1.042 1.00 19.60 C ATOM 726 C ASN A 537 4.649 9.577 0.029 1.00 19.89 C ATOM 727 O ASN A 537 4.054 9.887 -1.004 1.00 22.53 O ATOM 728 CB ASN A 537 4.843 12.030 0.426 1.00 17.87 C ATOM 729 CG ASN A 537 3.373 12.469 0.420 1.00 24.10 C ATOM 730 OD1 ASN A 537 2.555 11.934 1.163 1.00 23.15 O ATOM 731 ND2 ASN A 537 3.040 13.453 -0.417 1.00 21.59 N ATOM 732 HA ASN A 537 4.384 10.532 1.908 1.00 0.00 H ATOM 733 HB2 ASN A 537 5.421 12.751 1.003 1.00 0.00 H ATOM 734 HB3 ASN A 537 5.207 12.013 -0.601 1.00 0.00 H ATOM 735 HD22 ASN A 537 3.763 13.881 -1.031 1.00 0.00 H ATOM 736 HD21 ASN A 537 2.058 13.793 -0.456 1.00 0.00 H ATOM 737 H ASN A 537 6.547 10.385 2.576 1.00 0.00 H ATOM 738 N ARG A 538 4.982 8.324 0.319 1.00 20.71 N ATOM 739 CA ARG A 538 4.652 7.239 -0.595 1.00 21.65 C ATOM 740 C ARG A 538 3.310 6.652 -0.162 1.00 19.69 C ATOM 741 O ARG A 538 3.253 5.588 0.452 1.00 21.28 O ATOM 742 CB ARG A 538 5.760 6.176 -0.599 1.00 19.45 C ATOM 743 CG ARG A 538 7.185 6.729 -0.850 1.00 18.02 C ATOM 744 CD ARG A 538 7.281 7.584 -2.129 1.00 19.35 C ATOM 745 NE ARG A 538 8.669 7.968 -2.418 1.00 17.91 N ATOM 746 CZ ARG A 538 9.029 8.891 -3.302 1.00 25.83 C ATOM 747 NH1 ARG A 538 8.104 9.530 -3.999 1.00 24.81 N ATOM 748 NH2 ARG A 538 10.320 9.166 -3.495 1.00 24.80 N ATOM 749 HA ARG A 538 4.574 7.612 -1.616 1.00 0.00 H ATOM 750 HB2 ARG A 538 5.755 5.676 0.370 1.00 0.00 H ATOM 751 HB3 ARG A 538 5.534 5.452 -1.382 1.00 0.00 H ATOM 752 HG2 ARG A 538 7.475 7.344 0.002 1.00 0.00 H ATOM 753 HG3 ARG A 538 7.873 5.889 -0.941 1.00 0.00 H ATOM 754 HD2 ARG A 538 6.684 8.486 -1.998 1.00 0.00 H ATOM 755 HD3 ARG A 538 6.890 7.010 -2.969 1.00 0.00 H ATOM 756 HE ARG A 538 9.424 7.482 -1.893 1.00 0.00 H ATOM 757 HH12 ARG A 538 8.383 10.254 -4.692 1.00 0.00 H ATOM 758 HH11 ARG A 538 7.098 9.309 -3.854 1.00 0.00 H ATOM 759 HH22 ARG A 538 10.600 9.889 -4.188 1.00 0.00 H ATOM 760 HH21 ARG A 538 11.047 8.657 -2.953 1.00 0.00 H ATOM 761 H ARG A 538 5.483 8.116 1.206 1.00 0.00 H ATOM 762 N VAL A 539 2.230 7.360 -0.483 1.00 20.45 N ATOM 763 CA VAL A 539 0.920 7.045 0.073 1.00 16.93 C ATOM 764 C VAL A 539 0.434 5.642 -0.280 1.00 22.38 C ATOM 765 O VAL A 539 -0.048 4.914 0.580 1.00 19.01 O ATOM 766 CB VAL A 539 -0.152 8.080 -0.341 1.00 22.65 C ATOM 767 CG1 VAL A 539 -1.513 7.627 0.128 1.00 22.96 C ATOM 768 CG2 VAL A 539 0.177 9.449 0.240 1.00 26.10 C ATOM 769 HA VAL A 539 1.058 7.087 1.153 1.00 0.00 H ATOM 770 HB VAL A 539 -0.160 8.160 -1.428 1.00 0.00 H ATOM 771 HG11 VAL A 539 -1.750 6.664 -0.324 1.00 0.00 H ATOM 772 HG12 VAL A 539 -1.508 7.529 1.214 1.00 0.00 H ATOM 773 HG13 VAL A 539 -2.261 8.362 -0.168 1.00 0.00 H ATOM 774 HG21 VAL A 539 0.206 9.383 1.328 1.00 0.00 H ATOM 775 HG22 VAL A 539 1.148 9.776 -0.131 1.00 0.00 H ATOM 776 HG23 VAL A 539 -0.588 10.164 -0.062 1.00 0.00 H ATOM 777 H VAL A 539 2.323 8.156 -1.146 1.00 0.00 H ATOM 778 N SER A 540 0.544 5.255 -1.545 1.00 21.79 N ATOM 779 CA SER A 540 0.071 3.926 -1.924 1.00 25.81 C ATOM 780 C SER A 540 0.835 2.810 -1.196 1.00 25.59 C ATOM 781 O SER A 540 0.252 1.774 -0.868 1.00 20.99 O ATOM 782 CB SER A 540 0.122 3.729 -3.440 1.00 30.84 C ATOM 783 OG SER A 540 1.445 3.841 -3.916 1.00 26.30 O ATOM 784 HA SER A 540 -0.971 3.860 -1.610 1.00 0.00 H ATOM 785 HB2 SER A 540 -0.496 4.488 -3.920 1.00 0.00 H ATOM 786 HB3 SER A 540 -0.264 2.739 -3.685 1.00 0.00 H ATOM 787 HG SER A 540 1.798 4.740 -3.699 1.00 0.00 H ATOM 788 H SER A 540 0.961 5.889 -2.256 1.00 0.00 H ATOM 789 N VAL A 541 2.129 3.028 -0.942 1.00 21.72 N ATOM 790 CA VAL A 541 2.949 2.052 -0.228 1.00 20.93 C ATOM 791 C VAL A 541 2.606 2.017 1.255 1.00 21.16 C ATOM 792 O VAL A 541 2.567 0.946 1.857 1.00 23.30 O ATOM 793 CB VAL A 541 4.467 2.302 -0.413 1.00 22.74 C ATOM 794 CG1 VAL A 541 5.275 1.468 0.577 1.00 20.36 C ATOM 795 CG2 VAL A 541 4.883 1.970 -1.841 1.00 25.21 C ATOM 796 HA VAL A 541 2.717 1.082 -0.668 1.00 0.00 H ATOM 797 HB VAL A 541 4.669 3.356 -0.221 1.00 0.00 H ATOM 798 HG11 VAL A 541 4.994 1.740 1.594 1.00 0.00 H ATOM 799 HG12 VAL A 541 5.069 0.410 0.413 1.00 0.00 H ATOM 800 HG13 VAL A 541 6.338 1.659 0.429 1.00 0.00 H ATOM 801 HG21 VAL A 541 4.665 0.922 -2.047 1.00 0.00 H ATOM 802 HG22 VAL A 541 4.329 2.601 -2.536 1.00 0.00 H ATOM 803 HG23 VAL A 541 5.952 2.150 -1.958 1.00 0.00 H ATOM 804 H VAL A 541 2.564 3.917 -1.261 1.00 0.00 H ATOM 805 N VAL A 542 2.358 3.186 1.844 1.00 19.28 N ATOM 806 CA VAL A 542 1.865 3.231 3.219 1.00 18.43 C ATOM 807 C VAL A 542 0.562 2.425 3.351 1.00 22.45 C ATOM 808 O VAL A 542 0.436 1.588 4.249 1.00 21.51 O ATOM 809 CB VAL A 542 1.687 4.674 3.724 1.00 14.98 C ATOM 810 CG1 VAL A 542 1.037 4.690 5.118 1.00 16.03 C ATOM 811 CG2 VAL A 542 3.040 5.391 3.741 1.00 13.80 C ATOM 812 HA VAL A 542 2.620 2.769 3.855 1.00 0.00 H ATOM 813 HB VAL A 542 1.021 5.204 3.043 1.00 0.00 H ATOM 814 HG11 VAL A 542 0.059 4.212 5.067 1.00 0.00 H ATOM 815 HG12 VAL A 542 1.671 4.148 5.819 1.00 0.00 H ATOM 816 HG13 VAL A 542 0.922 5.721 5.452 1.00 0.00 H ATOM 817 HG21 VAL A 542 3.723 4.859 4.403 1.00 0.00 H ATOM 818 HG22 VAL A 542 3.452 5.411 2.732 1.00 0.00 H ATOM 819 HG23 VAL A 542 2.905 6.411 4.100 1.00 0.00 H ATOM 820 H VAL A 542 2.516 4.072 1.322 1.00 0.00 H ATOM 821 N GLU A 543 -0.391 2.653 2.449 1.00 21.43 N ATOM 822 CA GLU A 543 -1.640 1.885 2.465 1.00 26.93 C ATOM 823 C GLU A 543 -1.350 0.385 2.435 1.00 26.98 C ATOM 824 O GLU A 543 -1.816 -0.365 3.291 1.00 28.80 O ATOM 825 CB GLU A 543 -2.547 2.251 1.279 1.00 30.86 C ATOM 826 CG GLU A 543 -3.163 3.646 1.339 1.00 35.91 C ATOM 827 CD GLU A 543 -3.910 4.007 0.056 1.00 44.13 C ATOM 828 OE1 GLU A 543 -3.272 4.048 -1.019 1.00 48.14 O ATOM 829 OE2 GLU A 543 -5.134 4.245 0.119 1.00 45.69 O ATOM 830 HA GLU A 543 -2.160 2.138 3.389 1.00 0.00 H ATOM 831 HB2 GLU A 543 -1.954 2.183 0.367 1.00 0.00 H ATOM 832 HB3 GLU A 543 -3.359 1.525 1.238 1.00 0.00 H ATOM 833 HG2 GLU A 543 -3.862 3.685 2.174 1.00 0.00 H ATOM 834 HG3 GLU A 543 -2.368 4.374 1.498 1.00 0.00 H ATOM 835 H GLU A 543 -0.248 3.385 1.724 1.00 0.00 H ATOM 836 N TYR A 544 -0.586 -0.053 1.439 1.00 24.96 N ATOM 837 CA TYR A 544 -0.260 -1.468 1.322 1.00 26.89 C ATOM 838 C TYR A 544 0.410 -2.025 2.582 1.00 28.48 C ATOM 839 O TYR A 544 -0.029 -3.036 3.133 1.00 29.76 O ATOM 840 CB TYR A 544 0.637 -1.726 0.117 1.00 26.39 C ATOM 841 CG TYR A 544 0.901 -3.199 -0.082 1.00 27.53 C ATOM 842 CD1 TYR A 544 0.022 -3.988 -0.817 1.00 34.43 C ATOM 843 CD2 TYR A 544 2.005 -3.809 0.494 1.00 26.35 C ATOM 844 CE1 TYR A 544 0.253 -5.344 -0.992 1.00 40.20 C ATOM 845 CE2 TYR A 544 2.242 -5.156 0.327 1.00 33.68 C ATOM 846 CZ TYR A 544 1.364 -5.921 -0.413 1.00 36.87 C ATOM 847 OH TYR A 544 1.601 -7.264 -0.579 1.00 41.72 O ATOM 848 HA TYR A 544 -1.209 -1.987 1.189 1.00 0.00 H ATOM 849 HB3 TYR A 544 1.588 -1.214 0.269 1.00 0.00 H ATOM 850 HB2 TYR A 544 0.152 -1.331 -0.775 1.00 0.00 H ATOM 851 HD2 TYR A 544 2.697 -3.213 1.089 1.00 0.00 H ATOM 852 HE2 TYR A 544 3.121 -5.616 0.778 1.00 0.00 H ATOM 853 HE1 TYR A 544 -0.437 -5.948 -1.581 1.00 0.00 H ATOM 854 HD1 TYR A 544 -0.863 -3.533 -1.263 1.00 0.00 H ATOM 855 HH TYR A 544 0.881 -7.659 -1.131 1.00 0.00 H ATOM 856 H TYR A 544 -0.218 0.620 0.737 1.00 0.00 H ATOM 857 N LEU A 545 1.484 -1.372 3.024 1.00 21.82 N ATOM 858 CA LEU A 545 2.203 -1.809 4.215 1.00 25.25 C ATOM 859 C LEU A 545 1.265 -1.968 5.414 1.00 27.31 C ATOM 860 O LEU A 545 1.287 -2.990 6.107 1.00 26.45 O ATOM 861 CB LEU A 545 3.338 -0.826 4.551 1.00 20.34 C ATOM 862 CG LEU A 545 4.507 -0.832 3.554 1.00 19.47 C ATOM 863 CD1 LEU A 545 5.534 0.216 3.960 1.00 22.02 C ATOM 864 CD2 LEU A 545 5.143 -2.218 3.468 1.00 22.55 C ATOM 865 HA LEU A 545 2.634 -2.786 3.998 1.00 0.00 H ATOM 866 HB2 LEU A 545 2.920 0.180 4.578 1.00 0.00 H ATOM 867 HB3 LEU A 545 3.729 -1.082 5.536 1.00 0.00 H ATOM 868 HG LEU A 545 4.126 -0.584 2.563 1.00 0.00 H ATOM 869 HD21 LEU A 545 5.518 -2.506 4.450 1.00 0.00 H ATOM 870 HD22 LEU A 545 4.396 -2.939 3.137 1.00 0.00 H ATOM 871 HD23 LEU A 545 5.968 -2.194 2.756 1.00 0.00 H ATOM 872 HD11 LEU A 545 5.066 1.200 3.962 1.00 0.00 H ATOM 873 HD12 LEU A 545 5.909 -0.012 4.958 1.00 0.00 H ATOM 874 HD13 LEU A 545 6.361 0.207 3.250 1.00 0.00 H ATOM 875 H LEU A 545 1.817 -0.532 2.508 1.00 0.00 H ATOM 876 N LEU A 546 0.434 -0.960 5.648 1.00 26.02 N ATOM 877 CA LEU A 546 -0.470 -0.965 6.793 1.00 25.66 C ATOM 878 C LEU A 546 -1.474 -2.107 6.721 1.00 28.46 C ATOM 879 O LEU A 546 -1.885 -2.647 7.750 1.00 30.81 O ATOM 880 CB LEU A 546 -1.195 0.372 6.907 1.00 24.23 C ATOM 881 CG LEU A 546 -0.326 1.562 7.336 1.00 22.00 C ATOM 882 CD1 LEU A 546 -1.132 2.857 7.301 1.00 24.31 C ATOM 883 CD2 LEU A 546 0.239 1.312 8.739 1.00 21.75 C ATOM 884 HA LEU A 546 0.137 -1.118 7.685 1.00 0.00 H ATOM 885 HB2 LEU A 546 -1.626 0.605 5.933 1.00 0.00 H ATOM 886 HB3 LEU A 546 -1.995 0.259 7.639 1.00 0.00 H ATOM 887 HG LEU A 546 0.503 1.664 6.636 1.00 0.00 H ATOM 888 HD21 LEU A 546 -0.583 1.192 9.444 1.00 0.00 H ATOM 889 HD22 LEU A 546 0.846 0.407 8.729 1.00 0.00 H ATOM 890 HD23 LEU A 546 0.855 2.160 9.038 1.00 0.00 H ATOM 891 HD11 LEU A 546 -1.494 3.031 6.288 1.00 0.00 H ATOM 892 HD12 LEU A 546 -1.979 2.775 7.982 1.00 0.00 H ATOM 893 HD13 LEU A 546 -0.497 3.687 7.609 1.00 0.00 H ATOM 894 H LEU A 546 0.427 -0.147 5.000 1.00 0.00 H ATOM 895 N GLN A 547 -1.865 -2.479 5.507 1.00 25.41 N ATOM 896 CA GLN A 547 -2.804 -3.582 5.328 1.00 29.80 C ATOM 897 C GLN A 547 -2.112 -4.933 5.386 1.00 33.81 C ATOM 898 O GLN A 547 -2.771 -5.966 5.404 1.00 39.39 O ATOM 899 CB GLN A 547 -3.572 -3.447 4.009 1.00 29.84 C ATOM 900 CG GLN A 547 -4.557 -2.293 3.980 1.00 38.58 C ATOM 901 CD GLN A 547 -5.707 -2.487 4.944 1.00 52.26 C ATOM 902 OE1 GLN A 547 -6.275 -3.577 5.043 1.00 59.12 O ATOM 903 NE2 GLN A 547 -6.056 -1.429 5.669 1.00 57.58 N ATOM 904 HA GLN A 547 -3.511 -3.528 6.156 1.00 0.00 H ATOM 905 HB2 GLN A 547 -2.850 -3.301 3.206 1.00 0.00 H ATOM 906 HB3 GLN A 547 -4.123 -4.372 3.837 1.00 0.00 H ATOM 907 HG2 GLN A 547 -4.030 -1.376 4.245 1.00 0.00 H ATOM 908 HG3 GLN A 547 -4.958 -2.201 2.971 1.00 0.00 H ATOM 909 HE22 GLN A 547 -5.549 -0.529 5.553 1.00 0.00 H ATOM 910 HE21 GLN A 547 -6.836 -1.502 6.353 1.00 0.00 H ATOM 911 H GLN A 547 -1.497 -1.978 4.673 1.00 0.00 H ATOM 912 N HIS A 548 -0.786 -4.930 5.411 1.00 31.27 N ATOM 913 CA HIS A 548 -0.043 -6.187 5.387 1.00 34.97 C ATOM 914 C HIS A 548 0.957 -6.332 6.533 1.00 34.31 C ATOM 915 O HIS A 548 2.033 -6.904 6.366 1.00 32.34 O ATOM 916 CB HIS A 548 0.643 -6.393 4.038 1.00 35.24 C ATOM 917 CG HIS A 548 -0.316 -6.552 2.901 1.00 37.70 C ATOM 918 ND1 HIS A 548 -1.007 -5.489 2.358 1.00 39.40 N ATOM 919 CD2 HIS A 548 -0.718 -7.650 2.219 1.00 42.19 C ATOM 920 CE1 HIS A 548 -1.784 -5.925 1.383 1.00 43.31 C ATOM 921 NE2 HIS A 548 -1.626 -7.232 1.277 1.00 42.64 N ATOM 922 HA HIS A 548 -0.784 -6.973 5.532 1.00 0.00 H ATOM 923 HB2 HIS A 548 1.277 -5.529 3.837 1.00 0.00 H ATOM 924 HB3 HIS A 548 1.260 -7.289 4.097 1.00 0.00 H ATOM 925 HD2 HIS A 548 -0.384 -8.674 2.386 1.00 0.00 H ATOM 926 HE1 HIS A 548 -2.444 -5.311 0.770 1.00 0.00 H ATOM 927 H HIS A 548 -0.272 -4.027 5.448 1.00 0.00 H ATOM 928 N GLY A 549 0.593 -5.802 7.693 1.00 27.53 N ATOM 929 CA GLY A 549 1.303 -6.120 8.918 1.00 29.83 C ATOM 930 C GLY A 549 2.357 -5.129 9.381 1.00 24.49 C ATOM 931 O GLY A 549 3.065 -5.404 10.350 1.00 25.12 O ATOM 932 HA3 GLY A 549 1.796 -7.081 8.773 1.00 0.00 H ATOM 933 HA2 GLY A 549 0.563 -6.209 9.713 1.00 0.00 H ATOM 934 H GLY A 549 -0.215 -5.148 7.725 1.00 0.00 H ATOM 935 N ALA A 550 2.468 -3.985 8.712 1.00 23.84 N ATOM 936 CA ALA A 550 3.480 -3.002 9.094 1.00 22.21 C ATOM 937 C ALA A 550 3.201 -2.442 10.491 1.00 24.65 C ATOM 938 O ALA A 550 2.046 -2.207 10.860 1.00 24.89 O ATOM 939 CB ALA A 550 3.545 -1.871 8.084 1.00 20.26 C ATOM 940 HA ALA A 550 4.444 -3.510 9.110 1.00 0.00 H ATOM 941 HB1 ALA A 550 3.800 -2.275 7.104 1.00 0.00 H ATOM 942 HB2 ALA A 550 2.576 -1.375 8.033 1.00 0.00 H ATOM 943 HB3 ALA A 550 4.306 -1.154 8.392 1.00 0.00 H ATOM 944 H ALA A 550 1.832 -3.789 7.913 1.00 0.00 H ATOM 945 N ASP A 551 4.271 -2.197 11.240 1.00 19.22 N ATOM 946 CA ASP A 551 4.179 -1.755 12.638 1.00 21.60 C ATOM 947 C ASP A 551 4.244 -0.237 12.753 1.00 21.71 C ATOM 948 O ASP A 551 5.328 0.348 12.650 1.00 18.12 O ATOM 949 CB ASP A 551 5.321 -2.397 13.437 1.00 21.51 C ATOM 950 CG ASP A 551 5.317 -2.020 14.917 1.00 27.08 C ATOM 951 OD1 ASP A 551 4.362 -1.364 15.397 1.00 20.86 O ATOM 952 OD2 ASP A 551 6.288 -2.408 15.609 1.00 24.61 O ATOM 953 HA ASP A 551 3.216 -2.069 13.041 1.00 0.00 H ATOM 954 HB2 ASP A 551 5.232 -3.480 13.357 1.00 0.00 H ATOM 955 HB3 ASP A 551 6.268 -2.078 13.002 1.00 0.00 H ATOM 956 H ASP A 551 5.213 -2.324 10.819 1.00 0.00 H ATOM 957 N VAL A 552 3.097 0.407 12.990 1.00 21.12 N ATOM 958 CA VAL A 552 3.087 1.864 13.158 1.00 16.72 C ATOM 959 C VAL A 552 3.817 2.337 14.399 1.00 13.16 C ATOM 960 O VAL A 552 4.036 3.527 14.563 1.00 20.30 O ATOM 961 CB VAL A 552 1.659 2.465 13.207 1.00 23.02 C ATOM 962 CG1 VAL A 552 0.910 2.173 11.931 1.00 24.21 C ATOM 963 CG2 VAL A 552 0.885 1.965 14.438 1.00 24.01 C ATOM 964 HA VAL A 552 3.609 2.218 12.269 1.00 0.00 H ATOM 965 HB VAL A 552 1.753 3.547 13.299 1.00 0.00 H ATOM 966 HG11 VAL A 552 1.446 2.609 11.088 1.00 0.00 H ATOM 967 HG12 VAL A 552 0.833 1.094 11.795 1.00 0.00 H ATOM 968 HG13 VAL A 552 -0.089 2.605 11.991 1.00 0.00 H ATOM 969 HG21 VAL A 552 0.804 0.879 14.398 1.00 0.00 H ATOM 970 HG22 VAL A 552 1.417 2.258 15.343 1.00 0.00 H ATOM 971 HG23 VAL A 552 -0.112 2.405 14.442 1.00 0.00 H ATOM 972 H VAL A 552 2.207 -0.128 13.056 1.00 0.00 H ATOM 973 N HIS A 553 4.176 1.412 15.284 1.00 16.17 N ATOM 974 CA HIS A 553 4.786 1.785 16.556 1.00 15.75 C ATOM 975 C HIS A 553 6.299 1.575 16.561 1.00 13.10 C ATOM 976 O HIS A 553 6.958 1.789 17.572 1.00 16.26 O ATOM 977 CB HIS A 553 4.137 0.990 17.688 1.00 17.27 C ATOM 978 CG HIS A 553 2.650 1.127 17.731 1.00 15.72 C ATOM 979 ND1 HIS A 553 2.025 2.252 18.228 1.00 18.29 N ATOM 980 CD2 HIS A 553 1.662 0.299 17.318 1.00 17.91 C ATOM 981 CE1 HIS A 553 0.715 2.101 18.139 1.00 16.99 C ATOM 982 NE2 HIS A 553 0.467 0.927 17.588 1.00 17.09 N ATOM 983 HA HIS A 553 4.614 2.851 16.705 1.00 0.00 H ATOM 984 HB2 HIS A 553 4.384 -0.064 17.557 1.00 0.00 H ATOM 985 HB3 HIS A 553 4.544 1.342 18.636 1.00 0.00 H ATOM 986 HD2 HIS A 553 1.789 -0.681 16.858 1.00 0.00 H ATOM 987 HE1 HIS A 553 -0.034 2.823 18.465 1.00 0.00 H ATOM 988 H HIS A 553 4.020 0.407 15.066 1.00 0.00 H ATOM 989 N ALA A 554 6.838 1.121 15.436 1.00 17.79 N ATOM 990 CA ALA A 554 8.270 0.840 15.337 1.00 15.47 C ATOM 991 C ALA A 554 9.084 2.105 15.540 1.00 15.55 C ATOM 992 O ALA A 554 8.795 3.130 14.942 1.00 17.45 O ATOM 993 CB ALA A 554 8.599 0.211 13.990 1.00 15.38 C ATOM 994 HA ALA A 554 8.531 0.134 16.125 1.00 0.00 H ATOM 995 HB1 ALA A 554 8.046 -0.722 13.882 1.00 0.00 H ATOM 996 HB2 ALA A 554 8.316 0.897 13.191 1.00 0.00 H ATOM 997 HB3 ALA A 554 9.669 0.010 13.936 1.00 0.00 H ATOM 998 H ALA A 554 6.229 0.962 14.608 1.00 0.00 H ATOM 999 N LYS A 555 10.102 2.026 16.386 1.00 15.21 N ATOM 1000 CA LYS A 555 10.964 3.168 16.641 1.00 16.68 C ATOM 1001 C LYS A 555 12.290 3.007 15.934 1.00 17.08 C ATOM 1002 O LYS A 555 12.891 1.936 15.987 1.00 21.41 O ATOM 1003 CB LYS A 555 11.240 3.312 18.142 1.00 19.30 C ATOM 1004 CG LYS A 555 10.013 3.611 18.997 1.00 18.37 C ATOM 1005 CD LYS A 555 10.428 3.670 20.466 1.00 22.85 C ATOM 1006 CE LYS A 555 9.238 3.540 21.407 1.00 24.03 C ATOM 1007 NZ LYS A 555 8.289 4.666 21.209 1.00 20.30 N ATOM 1008 HA LYS A 555 10.449 4.053 16.268 1.00 0.00 H ATOM 1009 HB2 LYS A 555 11.680 2.380 18.496 1.00 0.00 H ATOM 1010 HB3 LYS A 555 11.954 4.124 18.278 1.00 0.00 H ATOM 1011 HG2 LYS A 555 9.585 4.569 18.700 1.00 0.00 H ATOM 1012 HG3 LYS A 555 9.271 2.825 18.859 1.00 0.00 H ATOM 1013 HD2 LYS A 555 11.125 2.856 20.667 1.00 0.00 H ATOM 1014 HD3 LYS A 555 10.921 4.624 20.653 1.00 0.00 H ATOM 1015 HE2 LYS A 555 9.593 3.548 22.437 1.00 0.00 H ATOM 1016 HE3 LYS A 555 8.725 2.599 21.208 1.00 0.00 H ATOM 1017 HZ1 LYS A 555 8.775 5.565 21.402 1.00 0.00 H ATOM 1018 HZ2 LYS A 555 7.945 4.660 20.227 1.00 0.00 H ATOM 1019 HZ3 LYS A 555 7.485 4.559 21.860 1.00 0.00 H ATOM 1020 H LYS A 555 10.287 1.128 16.877 1.00 0.00 H ATOM 1021 N ASP A 556 12.759 4.068 15.280 1.00 20.71 N ATOM 1022 CA ASP A 556 14.093 4.020 14.675 1.00 19.87 C ATOM 1023 C ASP A 556 15.156 4.313 15.741 1.00 18.50 C ATOM 1024 O ASP A 556 14.831 4.420 16.924 1.00 21.26 O ATOM 1025 CB ASP A 556 14.204 4.938 13.435 1.00 18.07 C ATOM 1026 CG ASP A 556 14.229 6.422 13.780 1.00 18.88 C ATOM 1027 OD1 ASP A 556 14.385 6.768 14.967 1.00 16.01 O ATOM 1028 OD2 ASP A 556 14.122 7.251 12.842 1.00 24.84 O ATOM 1029 HA ASP A 556 14.272 3.013 14.298 1.00 0.00 H ATOM 1030 HB2 ASP A 556 15.123 4.691 12.903 1.00 0.00 H ATOM 1031 HB3 ASP A 556 13.349 4.748 12.787 1.00 0.00 H ATOM 1032 H ASP A 556 12.180 4.928 15.199 1.00 0.00 H ATOM 1033 N LYS A 557 16.416 4.422 15.331 1.00 19.05 N ATOM 1034 CA LYS A 557 17.517 4.612 16.278 1.00 19.87 C ATOM 1035 C LYS A 557 17.376 5.872 17.144 1.00 23.06 C ATOM 1036 O LYS A 557 17.868 5.908 18.273 1.00 27.09 O ATOM 1037 CB LYS A 557 18.863 4.631 15.548 1.00 25.94 C ATOM 1038 CG LYS A 557 20.066 4.780 16.478 1.00 29.55 C ATOM 1039 CD LYS A 557 20.147 3.626 17.466 1.00 28.68 C ATOM 1040 CE LYS A 557 21.582 3.353 17.908 1.00 30.56 C ATOM 1041 NZ LYS A 557 22.084 4.317 18.928 1.00 30.93 N ATOM 1042 HA LYS A 557 17.474 3.760 16.956 1.00 0.00 H ATOM 1043 HB2 LYS A 557 18.968 3.697 14.996 1.00 0.00 H ATOM 1044 HB3 LYS A 557 18.863 5.467 14.848 1.00 0.00 H ATOM 1045 HG2 LYS A 557 20.977 4.801 15.880 1.00 0.00 H ATOM 1046 HG3 LYS A 557 19.974 5.715 17.031 1.00 0.00 H ATOM 1047 HD2 LYS A 557 19.548 3.871 18.343 1.00 0.00 H ATOM 1048 HD3 LYS A 557 19.747 2.729 16.994 1.00 0.00 H ATOM 1049 HE2 LYS A 557 22.229 3.408 17.033 1.00 0.00 H ATOM 1050 HE3 LYS A 557 21.628 2.349 18.330 1.00 0.00 H ATOM 1051 HZ1 LYS A 557 22.056 5.280 18.536 1.00 0.00 H ATOM 1052 HZ2 LYS A 557 21.482 4.268 19.775 1.00 0.00 H ATOM 1053 HZ3 LYS A 557 23.062 4.073 19.182 1.00 0.00 H ATOM 1054 H LYS A 557 16.625 4.371 14.313 1.00 0.00 H ATOM 1055 N GLY A 558 16.723 6.902 16.614 1.00 21.72 N ATOM 1056 CA GLY A 558 16.493 8.130 17.367 1.00 21.17 C ATOM 1057 C GLY A 558 15.208 8.103 18.195 1.00 21.73 C ATOM 1058 O GLY A 558 14.877 9.084 18.862 1.00 19.33 O ATOM 1059 HA3 GLY A 558 16.434 8.961 16.664 1.00 0.00 H ATOM 1060 HA2 GLY A 558 17.335 8.285 18.041 1.00 0.00 H ATOM 1061 H GLY A 558 16.368 6.830 15.639 1.00 0.00 H ATOM 1062 N GLY A 559 14.494 6.982 18.163 1.00 17.56 N ATOM 1063 CA GLY A 559 13.209 6.856 18.847 1.00 17.62 C ATOM 1064 C GLY A 559 12.014 7.387 18.064 1.00 15.95 C ATOM 1065 O GLY A 559 10.896 7.508 18.589 1.00 12.58 O ATOM 1066 HA3 GLY A 559 13.270 7.404 19.787 1.00 0.00 H ATOM 1067 HA2 GLY A 559 13.037 5.800 19.054 1.00 0.00 H ATOM 1068 H GLY A 559 14.863 6.167 17.633 1.00 0.00 H ATOM 1069 N LEU A 560 12.234 7.714 16.795 1.00 16.66 N ATOM 1070 CA LEU A 560 11.150 8.218 15.966 1.00 12.63 C ATOM 1071 C LEU A 560 10.271 7.099 15.425 1.00 14.70 C ATOM 1072 O LEU A 560 10.766 6.044 15.019 1.00 15.87 O ATOM 1073 CB LEU A 560 11.691 9.070 14.805 1.00 13.88 C ATOM 1074 CG LEU A 560 12.121 10.510 15.148 1.00 15.17 C ATOM 1075 CD1 LEU A 560 13.349 10.516 16.043 1.00 15.54 C ATOM 1076 CD2 LEU A 560 12.414 11.276 13.853 1.00 22.50 C ATOM 1077 HA LEU A 560 10.532 8.846 16.608 1.00 0.00 H ATOM 1078 HB2 LEU A 560 12.559 8.555 14.393 1.00 0.00 H ATOM 1079 HB3 LEU A 560 10.911 9.129 14.046 1.00 0.00 H ATOM 1080 HG LEU A 560 11.308 10.996 15.688 1.00 0.00 H ATOM 1081 HD21 LEU A 560 13.216 10.776 13.310 1.00 0.00 H ATOM 1082 HD22 LEU A 560 11.516 11.301 13.236 1.00 0.00 H ATOM 1083 HD23 LEU A 560 12.718 12.294 14.096 1.00 0.00 H ATOM 1084 HD11 LEU A 560 13.124 9.989 16.970 1.00 0.00 H ATOM 1085 HD12 LEU A 560 14.173 10.018 15.531 1.00 0.00 H ATOM 1086 HD13 LEU A 560 13.628 11.545 16.268 1.00 0.00 H ATOM 1087 H LEU A 560 13.187 7.609 16.392 1.00 0.00 H ATOM 1088 N VAL A 561 8.964 7.347 15.426 1.00 11.97 N ATOM 1089 CA VAL A 561 7.976 6.458 14.808 1.00 10.41 C ATOM 1090 C VAL A 561 7.620 7.000 13.423 1.00 17.12 C ATOM 1091 O VAL A 561 7.883 8.163 13.125 1.00 15.68 O ATOM 1092 CB VAL A 561 6.702 6.320 15.680 1.00 17.06 C ATOM 1093 CG1 VAL A 561 7.028 5.626 17.010 1.00 17.77 C ATOM 1094 CG2 VAL A 561 6.040 7.685 15.948 1.00 14.67 C ATOM 1095 HA VAL A 561 8.411 5.462 14.718 1.00 0.00 H ATOM 1096 HB VAL A 561 5.994 5.708 15.121 1.00 0.00 H ATOM 1097 HG11 VAL A 561 7.429 4.632 16.811 1.00 0.00 H ATOM 1098 HG12 VAL A 561 7.766 6.215 17.554 1.00 0.00 H ATOM 1099 HG13 VAL A 561 6.119 5.540 17.606 1.00 0.00 H ATOM 1100 HG21 VAL A 561 6.744 8.332 16.471 1.00 0.00 H ATOM 1101 HG22 VAL A 561 5.758 8.143 15.000 1.00 0.00 H ATOM 1102 HG23 VAL A 561 5.151 7.542 16.562 1.00 0.00 H ATOM 1103 H VAL A 561 8.626 8.215 15.888 1.00 0.00 H ATOM 1104 N PRO A 562 7.035 6.161 12.557 1.00 15.06 N ATOM 1105 CA PRO A 562 6.764 6.699 11.221 1.00 13.38 C ATOM 1106 C PRO A 562 5.932 7.986 11.242 1.00 13.57 C ATOM 1107 O PRO A 562 6.086 8.796 10.349 1.00 10.47 O ATOM 1108 CB PRO A 562 6.019 5.551 10.525 1.00 19.25 C ATOM 1109 CG PRO A 562 6.538 4.300 11.217 1.00 16.03 C ATOM 1110 CD PRO A 562 6.700 4.728 12.666 1.00 14.26 C ATOM 1111 HA PRO A 562 7.679 6.997 10.709 1.00 0.00 H ATOM 1112 HD3 PRO A 562 5.774 4.584 13.223 1.00 0.00 H ATOM 1113 HD2 PRO A 562 7.504 4.174 13.150 1.00 0.00 H ATOM 1114 HG3 PRO A 562 7.494 3.990 10.794 1.00 0.00 H ATOM 1115 HG2 PRO A 562 5.822 3.483 11.131 1.00 0.00 H ATOM 1116 HB2 PRO A 562 4.942 5.650 10.660 1.00 0.00 H ATOM 1117 HB3 PRO A 562 6.250 5.529 9.460 1.00 0.00 H ATOM 1118 N LEU A 563 5.071 8.177 12.240 1.00 11.24 N ATOM 1119 CA LEU A 563 4.305 9.430 12.315 1.00 13.37 C ATOM 1120 C LEU A 563 5.208 10.662 12.425 1.00 16.01 C ATOM 1121 O LEU A 563 4.884 11.714 11.864 1.00 11.45 O ATOM 1122 CB LEU A 563 3.282 9.390 13.458 1.00 12.71 C ATOM 1123 CG LEU A 563 2.257 10.536 13.590 1.00 15.52 C ATOM 1124 CD1 LEU A 563 1.421 10.733 12.333 1.00 15.24 C ATOM 1125 CD2 LEU A 563 1.333 10.310 14.805 1.00 11.71 C ATOM 1126 HA LEU A 563 3.760 9.520 11.375 1.00 0.00 H ATOM 1127 HB2 LEU A 563 2.715 8.466 13.346 1.00 0.00 H ATOM 1128 HB3 LEU A 563 3.846 9.358 14.390 1.00 0.00 H ATOM 1129 HG LEU A 563 2.837 11.447 13.738 1.00 0.00 H ATOM 1130 HD21 LEU A 563 0.795 9.370 14.681 1.00 0.00 H ATOM 1131 HD22 LEU A 563 1.933 10.269 15.714 1.00 0.00 H ATOM 1132 HD23 LEU A 563 0.620 11.132 14.875 1.00 0.00 H ATOM 1133 HD11 LEU A 563 2.077 10.969 11.495 1.00 0.00 H ATOM 1134 HD12 LEU A 563 0.870 9.818 12.118 1.00 0.00 H ATOM 1135 HD13 LEU A 563 0.720 11.553 12.489 1.00 0.00 H ATOM 1136 H LEU A 563 4.941 7.442 12.964 1.00 0.00 H ATOM 1137 N HIS A 564 6.339 10.544 13.133 1.00 13.21 N ATOM 1138 CA HIS A 564 7.267 11.670 13.210 1.00 14.50 C ATOM 1139 C HIS A 564 7.689 12.097 11.806 1.00 14.46 C ATOM 1140 O HIS A 564 7.735 13.282 11.486 1.00 13.44 O ATOM 1141 CB HIS A 564 8.537 11.315 13.996 1.00 14.23 C ATOM 1142 CG HIS A 564 8.382 11.344 15.488 1.00 15.48 C ATOM 1143 ND1 HIS A 564 8.191 10.201 16.233 1.00 12.39 N ATOM 1144 CD2 HIS A 564 8.452 12.364 16.377 1.00 13.62 C ATOM 1145 CE1 HIS A 564 8.124 10.519 17.516 1.00 15.54 C ATOM 1146 NE2 HIS A 564 8.284 11.826 17.630 1.00 15.40 N ATOM 1147 HA HIS A 564 6.744 12.476 13.724 1.00 0.00 H ATOM 1148 HB2 HIS A 564 8.846 10.311 13.706 1.00 0.00 H ATOM 1149 HB3 HIS A 564 9.316 12.027 13.722 1.00 0.00 H ATOM 1150 HD2 HIS A 564 8.612 13.416 16.142 1.00 0.00 H ATOM 1151 HE1 HIS A 564 7.964 9.822 18.338 1.00 0.00 H ATOM 1152 H HIS A 564 6.556 9.654 13.626 1.00 0.00 H ATOM 1153 N ASN A 565 8.046 11.115 10.994 1.00 11.91 N ATOM 1154 CA ASN A 565 8.513 11.365 9.636 1.00 13.32 C ATOM 1155 C ASN A 565 7.457 12.041 8.764 1.00 16.68 C ATOM 1156 O ASN A 565 7.747 13.015 8.083 1.00 15.50 O ATOM 1157 CB ASN A 565 8.994 10.066 8.989 1.00 18.03 C ATOM 1158 CG ASN A 565 10.193 9.477 9.700 1.00 23.28 C ATOM 1159 OD1 ASN A 565 10.678 10.038 10.686 1.00 21.86 O ATOM 1160 ND2 ASN A 565 10.682 8.347 9.205 1.00 22.93 N ATOM 1161 HA ASN A 565 9.350 12.059 9.711 1.00 0.00 H ATOM 1162 HB2 ASN A 565 8.181 9.340 9.013 1.00 0.00 H ATOM 1163 HB3 ASN A 565 9.266 10.270 7.953 1.00 0.00 H ATOM 1164 HD22 ASN A 565 10.240 7.910 8.371 1.00 0.00 H ATOM 1165 HD21 ASN A 565 11.508 7.898 9.651 1.00 0.00 H ATOM 1166 H ASN A 565 7.992 10.134 11.335 1.00 0.00 H ATOM 1167 N ALA A 566 6.233 11.525 8.798 1.00 13.95 N ATOM 1168 CA ALA A 566 5.152 12.108 8.011 1.00 14.45 C ATOM 1169 C ALA A 566 4.905 13.548 8.443 1.00 17.11 C ATOM 1170 O ALA A 566 4.696 14.447 7.610 1.00 16.54 O ATOM 1171 CB ALA A 566 3.873 11.270 8.163 1.00 15.16 C ATOM 1172 HA ALA A 566 5.441 12.108 6.960 1.00 0.00 H ATOM 1173 HB1 ALA A 566 4.062 10.255 7.814 1.00 0.00 H ATOM 1174 HB2 ALA A 566 3.578 11.246 9.212 1.00 0.00 H ATOM 1175 HB3 ALA A 566 3.075 11.717 7.570 1.00 0.00 H ATOM 1176 H ALA A 566 6.043 10.694 9.394 1.00 0.00 H ATOM 1177 N CYS A 567 4.937 13.773 9.753 1.00 15.14 N ATOM 1178 CA CYS A 567 4.627 15.095 10.295 1.00 12.31 C ATOM 1179 C CYS A 567 5.699 16.129 9.968 1.00 17.44 C ATOM 1180 O CYS A 567 5.383 17.285 9.704 1.00 16.24 O ATOM 1181 CB CYS A 567 4.369 15.033 11.806 1.00 12.20 C ATOM 1182 SG CYS A 567 2.840 14.168 12.207 1.00 16.85 S ATOM 1183 HA CYS A 567 3.710 15.422 9.804 1.00 0.00 H ATOM 1184 HB2 CYS A 567 4.308 16.050 12.193 1.00 0.00 H ATOM 1185 HB3 CYS A 567 5.201 14.514 12.282 1.00 0.00 H ATOM 1186 HG CYS A 567 2.907 12.874 11.732 1.00 0.00 H ATOM 1187 H CYS A 567 5.186 12.998 10.401 1.00 0.00 H ATOM 1188 N SER A 568 6.955 15.695 9.951 1.00 14.76 N ATOM 1189 CA SER A 568 8.075 16.595 9.690 1.00 15.13 C ATOM 1190 C SER A 568 7.981 17.251 8.310 1.00 18.24 C ATOM 1191 O SER A 568 8.343 18.415 8.143 1.00 19.25 O ATOM 1192 CB SER A 568 9.404 15.841 9.816 1.00 14.42 C ATOM 1193 OG SER A 568 10.503 16.742 9.834 1.00 15.91 O ATOM 1194 HA SER A 568 8.030 17.388 10.437 1.00 0.00 H ATOM 1195 HB2 SER A 568 9.512 15.164 8.968 1.00 0.00 H ATOM 1196 HB3 SER A 568 9.400 15.265 10.741 1.00 0.00 H ATOM 1197 HG SER A 568 10.412 17.356 10.605 1.00 0.00 H ATOM 1198 H SER A 568 7.145 14.688 10.128 1.00 0.00 H ATOM 1199 N TYR A 569 7.490 16.502 7.328 1.00 16.33 N ATOM 1200 CA TYR A 569 7.489 16.969 5.951 1.00 16.12 C ATOM 1201 C TYR A 569 6.097 17.291 5.431 1.00 19.07 C ATOM 1202 O TYR A 569 5.925 17.548 4.247 1.00 18.46 O ATOM 1203 CB TYR A 569 8.238 15.966 5.056 1.00 17.62 C ATOM 1204 CG TYR A 569 9.655 15.836 5.543 1.00 22.49 C ATOM 1205 CD1 TYR A 569 10.555 16.880 5.364 1.00 21.76 C ATOM 1206 CD2 TYR A 569 10.073 14.717 6.251 1.00 13.60 C ATOM 1207 CE1 TYR A 569 11.850 16.803 5.843 1.00 22.40 C ATOM 1208 CE2 TYR A 569 11.378 14.629 6.736 1.00 16.74 C ATOM 1209 CZ TYR A 569 12.260 15.678 6.521 1.00 20.04 C ATOM 1210 OH TYR A 569 13.555 15.627 6.998 1.00 22.51 O ATOM 1211 HA TYR A 569 8.023 17.919 5.922 1.00 0.00 H ATOM 1212 HB3 TYR A 569 8.237 16.323 4.026 1.00 0.00 H ATOM 1213 HB2 TYR A 569 7.745 14.995 5.103 1.00 0.00 H ATOM 1214 HD2 TYR A 569 9.375 13.899 6.430 1.00 0.00 H ATOM 1215 HE2 TYR A 569 11.702 13.742 7.280 1.00 0.00 H ATOM 1216 HE1 TYR A 569 12.543 17.630 5.684 1.00 0.00 H ATOM 1217 HD1 TYR A 569 10.234 17.777 4.835 1.00 0.00 H ATOM 1218 HH TYR A 569 14.021 14.849 6.602 1.00 0.00 H ATOM 1219 H TYR A 569 7.099 15.564 7.549 1.00 0.00 H ATOM 1220 N GLY A 570 5.120 17.291 6.339 1.00 16.62 N ATOM 1221 CA GLY A 570 3.782 17.782 6.061 1.00 14.24 C ATOM 1222 C GLY A 570 2.896 16.828 5.286 1.00 17.16 C ATOM 1223 O GLY A 570 1.963 17.248 4.604 1.00 20.30 O ATOM 1224 HA3 GLY A 570 3.873 18.703 5.485 1.00 0.00 H ATOM 1225 HA2 GLY A 570 3.296 17.997 7.013 1.00 0.00 H ATOM 1226 H GLY A 570 5.326 16.923 7.289 1.00 0.00 H ATOM 1227 N HIS A 571 3.178 15.535 5.387 1.00 13.57 N ATOM 1228 CA HIS A 571 2.453 14.553 4.598 1.00 18.17 C ATOM 1229 C HIS A 571 1.117 14.204 5.234 1.00 16.00 C ATOM 1230 O HIS A 571 1.001 13.241 5.989 1.00 17.38 O ATOM 1231 CB HIS A 571 3.331 13.323 4.371 1.00 19.05 C ATOM 1232 CG HIS A 571 4.618 13.648 3.677 1.00 18.15 C ATOM 1233 ND1 HIS A 571 4.702 14.612 2.694 1.00 14.86 N ATOM 1234 CD2 HIS A 571 5.874 13.165 3.839 1.00 13.00 C ATOM 1235 CE1 HIS A 571 5.951 14.704 2.274 1.00 15.10 C ATOM 1236 NE2 HIS A 571 6.683 13.840 2.958 1.00 14.03 N ATOM 1237 HA HIS A 571 2.220 14.983 3.624 1.00 0.00 H ATOM 1238 HB2 HIS A 571 3.560 12.875 5.338 1.00 0.00 H ATOM 1239 HB3 HIS A 571 2.778 12.608 3.762 1.00 0.00 H ATOM 1240 HD2 HIS A 571 6.184 12.387 4.537 1.00 0.00 H ATOM 1241 HE1 HIS A 571 6.316 15.376 1.497 1.00 0.00 H ATOM 1242 H HIS A 571 3.926 15.221 6.038 1.00 0.00 H ATOM 1243 N TYR A 572 0.096 14.988 4.908 1.00 17.66 N ATOM 1244 CA TYR A 572 -1.174 14.876 5.612 1.00 21.57 C ATOM 1245 C TYR A 572 -1.855 13.514 5.461 1.00 13.27 C ATOM 1246 O TYR A 572 -2.264 12.904 6.450 1.00 15.26 O ATOM 1247 CB TYR A 572 -2.134 15.970 5.159 1.00 23.08 C ATOM 1248 CG TYR A 572 -3.380 16.016 6.001 1.00 24.29 C ATOM 1249 CD1 TYR A 572 -3.428 16.790 7.154 1.00 15.93 C ATOM 1250 CD2 TYR A 572 -4.510 15.278 5.653 1.00 23.20 C ATOM 1251 CE1 TYR A 572 -4.561 16.842 7.925 1.00 17.13 C ATOM 1252 CE2 TYR A 572 -5.649 15.318 6.432 1.00 18.90 C ATOM 1253 CZ TYR A 572 -5.665 16.102 7.570 1.00 20.49 C ATOM 1254 OH TYR A 572 -6.802 16.162 8.355 1.00 23.75 O ATOM 1255 HA TYR A 572 -0.930 14.991 6.668 1.00 0.00 H ATOM 1256 HB3 TYR A 572 -2.417 15.783 4.123 1.00 0.00 H ATOM 1257 HB2 TYR A 572 -1.628 16.933 5.228 1.00 0.00 H ATOM 1258 HD2 TYR A 572 -4.494 14.661 4.754 1.00 0.00 H ATOM 1259 HE2 TYR A 572 -6.528 14.737 6.152 1.00 0.00 H ATOM 1260 HE1 TYR A 572 -4.587 17.468 8.817 1.00 0.00 H ATOM 1261 HD1 TYR A 572 -2.551 17.365 7.451 1.00 0.00 H ATOM 1262 HH TYR A 572 -6.640 16.765 9.123 1.00 0.00 H ATOM 1263 H TYR A 572 0.204 15.686 4.145 1.00 0.00 H ATOM 1264 N GLU A 573 -2.019 13.061 4.223 1.00 15.64 N ATOM 1265 CA GLU A 573 -2.687 11.785 4.000 1.00 17.76 C ATOM 1266 C GLU A 573 -1.973 10.633 4.702 1.00 20.39 C ATOM 1267 O GLU A 573 -2.614 9.745 5.272 1.00 19.14 O ATOM 1268 CB GLU A 573 -2.848 11.491 2.515 1.00 22.32 C ATOM 1269 CG GLU A 573 -3.667 10.243 2.253 1.00 33.59 C ATOM 1270 CD GLU A 573 -4.954 10.202 3.072 1.00 45.15 C ATOM 1271 OE1 GLU A 573 -5.287 9.124 3.608 1.00 49.68 O ATOM 1272 OE2 GLU A 573 -5.634 11.244 3.177 1.00 51.30 O ATOM 1273 HA GLU A 573 -3.681 11.873 4.439 1.00 0.00 H ATOM 1274 HB2 GLU A 573 -3.343 12.339 2.043 1.00 0.00 H ATOM 1275 HB3 GLU A 573 -1.859 11.358 2.076 1.00 0.00 H ATOM 1276 HG2 GLU A 573 -3.925 10.211 1.195 1.00 0.00 H ATOM 1277 HG3 GLU A 573 -3.064 9.370 2.505 1.00 0.00 H ATOM 1278 H GLU A 573 -1.672 13.616 3.415 1.00 0.00 H ATOM 1279 N VAL A 574 -0.647 10.640 4.660 1.00 17.34 N ATOM 1280 CA VAL A 574 0.113 9.604 5.344 1.00 15.98 C ATOM 1281 C VAL A 574 -0.161 9.662 6.843 1.00 14.41 C ATOM 1282 O VAL A 574 -0.412 8.637 7.470 1.00 15.40 O ATOM 1283 CB VAL A 574 1.622 9.766 5.126 1.00 16.67 C ATOM 1284 CG1 VAL A 574 2.389 8.835 6.072 1.00 15.47 C ATOM 1285 CG2 VAL A 574 1.982 9.496 3.667 1.00 13.00 C ATOM 1286 HA VAL A 574 -0.203 8.647 4.929 1.00 0.00 H ATOM 1287 HB VAL A 574 1.908 10.793 5.353 1.00 0.00 H ATOM 1288 HG11 VAL A 574 2.145 9.087 7.104 1.00 0.00 H ATOM 1289 HG12 VAL A 574 2.105 7.802 5.872 1.00 0.00 H ATOM 1290 HG13 VAL A 574 3.460 8.957 5.910 1.00 0.00 H ATOM 1291 HG21 VAL A 574 1.692 8.478 3.405 1.00 0.00 H ATOM 1292 HG22 VAL A 574 1.453 10.202 3.027 1.00 0.00 H ATOM 1293 HG23 VAL A 574 3.057 9.616 3.531 1.00 0.00 H ATOM 1294 H VAL A 574 -0.149 11.388 4.137 1.00 0.00 H ATOM 1295 N ALA A 575 -0.123 10.868 7.409 1.00 15.74 N ATOM 1296 CA ALA A 575 -0.348 11.042 8.843 1.00 17.56 C ATOM 1297 C ALA A 575 -1.732 10.521 9.200 1.00 15.73 C ATOM 1298 O ALA A 575 -1.917 9.813 10.192 1.00 14.53 O ATOM 1299 CB ALA A 575 -0.226 12.506 9.225 1.00 13.34 C ATOM 1300 HA ALA A 575 0.406 10.481 9.395 1.00 0.00 H ATOM 1301 HB1 ALA A 575 0.773 12.863 8.976 1.00 0.00 H ATOM 1302 HB2 ALA A 575 -0.968 13.086 8.676 1.00 0.00 H ATOM 1303 HB3 ALA A 575 -0.397 12.616 10.296 1.00 0.00 H ATOM 1304 H ALA A 575 0.071 11.702 6.819 1.00 0.00 H ATOM 1305 N GLU A 576 -2.710 10.891 8.380 1.00 14.19 N ATOM 1306 CA GLU A 576 -4.091 10.493 8.600 1.00 16.83 C ATOM 1307 C GLU A 576 -4.203 8.966 8.608 1.00 17.56 C ATOM 1308 O GLU A 576 -4.838 8.383 9.482 1.00 17.36 O ATOM 1309 CB GLU A 576 -4.955 11.092 7.491 1.00 23.54 C ATOM 1310 CG GLU A 576 -6.436 11.064 7.756 1.00 33.75 C ATOM 1311 CD GLU A 576 -7.227 11.591 6.579 1.00 35.33 C ATOM 1312 OE1 GLU A 576 -6.728 11.493 5.441 1.00 44.55 O ATOM 1313 OE2 GLU A 576 -8.334 12.102 6.798 1.00 39.98 O ATOM 1314 HA GLU A 576 -4.436 10.861 9.566 1.00 0.00 H ATOM 1315 HB2 GLU A 576 -4.655 12.131 7.352 1.00 0.00 H ATOM 1316 HB3 GLU A 576 -4.764 10.534 6.574 1.00 0.00 H ATOM 1317 HG2 GLU A 576 -6.740 10.036 7.954 1.00 0.00 H ATOM 1318 HG3 GLU A 576 -6.650 11.680 8.630 1.00 0.00 H ATOM 1319 H GLU A 576 -2.481 11.483 7.556 1.00 0.00 H ATOM 1320 N LEU A 577 -3.578 8.321 7.627 1.00 21.41 N ATOM 1321 CA LEU A 577 -3.572 6.863 7.527 1.00 23.57 C ATOM 1322 C LEU A 577 -2.936 6.179 8.741 1.00 19.74 C ATOM 1323 O LEU A 577 -3.438 5.176 9.231 1.00 17.69 O ATOM 1324 CB LEU A 577 -2.811 6.430 6.273 1.00 22.04 C ATOM 1325 CG LEU A 577 -3.484 6.572 4.919 1.00 25.55 C ATOM 1326 CD1 LEU A 577 -2.497 6.203 3.817 1.00 23.87 C ATOM 1327 CD2 LEU A 577 -4.715 5.691 4.867 1.00 30.90 C ATOM 1328 HA LEU A 577 -4.617 6.555 7.480 1.00 0.00 H ATOM 1329 HB2 LEU A 577 -1.893 7.017 6.237 1.00 0.00 H ATOM 1330 HB3 LEU A 577 -2.562 5.376 6.398 1.00 0.00 H ATOM 1331 HG LEU A 577 -3.797 7.605 4.768 1.00 0.00 H ATOM 1332 HD21 LEU A 577 -4.423 4.652 5.019 1.00 0.00 H ATOM 1333 HD22 LEU A 577 -5.410 5.993 5.650 1.00 0.00 H ATOM 1334 HD23 LEU A 577 -5.195 5.796 3.894 1.00 0.00 H ATOM 1335 HD11 LEU A 577 -1.635 6.868 3.866 1.00 0.00 H ATOM 1336 HD12 LEU A 577 -2.170 5.172 3.954 1.00 0.00 H ATOM 1337 HD13 LEU A 577 -2.983 6.306 2.847 1.00 0.00 H ATOM 1338 H LEU A 577 -3.075 8.875 6.904 1.00 0.00 H ATOM 1339 N LEU A 578 -1.799 6.697 9.186 1.00 14.32 N ATOM 1340 CA LEU A 578 -1.097 6.128 10.345 1.00 14.41 C ATOM 1341 C LEU A 578 -1.963 6.230 11.595 1.00 14.25 C ATOM 1342 O LEU A 578 -2.030 5.303 12.397 1.00 16.65 O ATOM 1343 CB LEU A 578 0.215 6.878 10.587 1.00 11.39 C ATOM 1344 CG LEU A 578 1.325 6.701 9.544 1.00 17.02 C ATOM 1345 CD1 LEU A 578 2.483 7.713 9.753 1.00 12.71 C ATOM 1346 CD2 LEU A 578 1.850 5.260 9.550 1.00 17.96 C ATOM 1347 HA LEU A 578 -0.887 5.079 10.134 1.00 0.00 H ATOM 1348 HB2 LEU A 578 -0.019 7.941 10.640 1.00 0.00 H ATOM 1349 HB3 LEU A 578 0.611 6.546 11.547 1.00 0.00 H ATOM 1350 HG LEU A 578 0.890 6.907 8.566 1.00 0.00 H ATOM 1351 HD21 LEU A 578 2.251 5.025 10.536 1.00 0.00 H ATOM 1352 HD22 LEU A 578 1.034 4.576 9.316 1.00 0.00 H ATOM 1353 HD23 LEU A 578 2.637 5.158 8.802 1.00 0.00 H ATOM 1354 HD11 LEU A 578 2.096 8.729 9.671 1.00 0.00 H ATOM 1355 HD12 LEU A 578 2.917 7.567 10.742 1.00 0.00 H ATOM 1356 HD13 LEU A 578 3.247 7.551 8.992 1.00 0.00 H ATOM 1357 H LEU A 578 -1.395 7.525 8.704 1.00 0.00 H ATOM 1358 N VAL A 579 -2.593 7.386 11.778 1.00 17.02 N ATOM 1359 CA VAL A 579 -3.481 7.594 12.922 1.00 18.59 C ATOM 1360 C VAL A 579 -4.692 6.662 12.841 1.00 25.07 C ATOM 1361 O VAL A 579 -5.147 6.126 13.859 1.00 22.62 O ATOM 1362 CB VAL A 579 -3.920 9.075 13.033 1.00 19.82 C ATOM 1363 CG1 VAL A 579 -5.112 9.225 13.977 1.00 26.08 C ATOM 1364 CG2 VAL A 579 -2.745 9.942 13.498 1.00 19.89 C ATOM 1365 HA VAL A 579 -2.926 7.351 13.828 1.00 0.00 H ATOM 1366 HB VAL A 579 -4.234 9.415 12.046 1.00 0.00 H ATOM 1367 HG11 VAL A 579 -5.950 8.639 13.598 1.00 0.00 H ATOM 1368 HG12 VAL A 579 -4.836 8.867 14.969 1.00 0.00 H ATOM 1369 HG13 VAL A 579 -5.398 10.275 14.035 1.00 0.00 H ATOM 1370 HG21 VAL A 579 -2.404 9.596 14.474 1.00 0.00 H ATOM 1371 HG22 VAL A 579 -1.930 9.864 12.778 1.00 0.00 H ATOM 1372 HG23 VAL A 579 -3.068 10.980 13.572 1.00 0.00 H ATOM 1373 H VAL A 579 -2.452 8.157 11.095 1.00 0.00 H ATOM 1374 N LYS A 580 -5.196 6.430 11.629 1.00 22.53 N ATOM 1375 CA LYS A 580 -6.308 5.488 11.475 1.00 24.87 C ATOM 1376 C LYS A 580 -5.928 4.075 11.885 1.00 22.02 C ATOM 1377 O LYS A 580 -6.768 3.322 12.382 1.00 25.56 O ATOM 1378 CB LYS A 580 -6.841 5.456 10.042 1.00 24.18 C ATOM 1379 CG LYS A 580 -7.870 4.345 9.847 1.00 30.19 C ATOM 1380 CD LYS A 580 -9.077 4.565 10.752 1.00 30.38 C ATOM 1381 CE LYS A 580 -9.874 3.286 10.966 1.00 31.96 C ATOM 1382 NZ LYS A 580 -9.518 2.614 12.249 1.00 30.02 N ATOM 1383 HA LYS A 580 -7.090 5.853 12.141 1.00 0.00 H ATOM 1384 HB2 LYS A 580 -7.309 6.415 9.817 1.00 0.00 H ATOM 1385 HB3 LYS A 580 -6.008 5.290 9.359 1.00 0.00 H ATOM 1386 HG2 LYS A 580 -8.198 4.339 8.808 1.00 0.00 H ATOM 1387 HG3 LYS A 580 -7.412 3.386 10.088 1.00 0.00 H ATOM 1388 HD2 LYS A 580 -8.730 4.929 11.719 1.00 0.00 H ATOM 1389 HD3 LYS A 580 -9.727 5.312 10.296 1.00 0.00 H ATOM 1390 HE2 LYS A 580 -9.671 2.602 10.142 1.00 0.00 H ATOM 1391 HE3 LYS A 580 -10.936 3.531 10.980 1.00 0.00 H ATOM 1392 HZ1 LYS A 580 -8.507 2.370 12.242 1.00 0.00 H ATOM 1393 HZ2 LYS A 580 -9.716 3.257 13.042 1.00 0.00 H ATOM 1394 HZ3 LYS A 580 -10.084 1.748 12.354 1.00 0.00 H ATOM 1395 H LYS A 580 -4.802 6.915 10.797 1.00 0.00 H ATOM 1396 N HIS A 581 -4.664 3.711 11.665 1.00 21.36 N ATOM 1397 CA HIS A 581 -4.181 2.384 12.030 1.00 21.33 C ATOM 1398 C HIS A 581 -3.603 2.314 13.438 1.00 24.97 C ATOM 1399 O HIS A 581 -2.895 1.368 13.783 1.00 25.40 O ATOM 1400 CB HIS A 581 -3.189 1.852 10.988 1.00 19.16 C ATOM 1401 CG HIS A 581 -3.855 1.304 9.764 1.00 27.59 C ATOM 1402 ND1 HIS A 581 -4.331 2.109 8.749 1.00 32.50 N ATOM 1403 CD2 HIS A 581 -4.157 0.033 9.406 1.00 24.36 C ATOM 1404 CE1 HIS A 581 -4.886 1.356 7.813 1.00 26.94 C ATOM 1405 NE2 HIS A 581 -4.790 0.092 8.187 1.00 29.97 N ATOM 1406 HA HIS A 581 -5.055 1.733 12.037 1.00 0.00 H ATOM 1407 HB2 HIS A 581 -2.530 2.667 10.689 1.00 0.00 H ATOM 1408 HB3 HIS A 581 -2.598 1.059 11.446 1.00 0.00 H ATOM 1409 HD2 HIS A 581 -3.939 -0.869 9.978 1.00 0.00 H ATOM 1410 HE1 HIS A 581 -5.344 1.716 6.892 1.00 0.00 H ATOM 1411 H HIS A 581 -4.009 4.388 11.224 1.00 0.00 H ATOM 1412 N GLY A 582 -3.905 3.326 14.246 1.00 20.50 N ATOM 1413 CA GLY A 582 -3.616 3.272 15.662 1.00 17.98 C ATOM 1414 C GLY A 582 -2.337 3.931 16.141 1.00 14.88 C ATOM 1415 O GLY A 582 -1.943 3.717 17.282 1.00 17.77 O ATOM 1416 HA3 GLY A 582 -3.568 2.221 15.946 1.00 0.00 H ATOM 1417 HA2 GLY A 582 -4.445 3.750 16.183 1.00 0.00 H ATOM 1418 H GLY A 582 -4.359 4.174 13.851 1.00 0.00 H ATOM 1419 N ALA A 583 -1.684 4.715 15.281 1.00 12.81 N ATOM 1420 CA ALA A 583 -0.542 5.514 15.707 1.00 11.66 C ATOM 1421 C ALA A 583 -0.921 6.345 16.927 1.00 16.42 C ATOM 1422 O ALA A 583 -2.010 6.901 16.989 1.00 14.30 O ATOM 1423 CB ALA A 583 -0.084 6.421 14.586 1.00 12.52 C ATOM 1424 HA ALA A 583 0.277 4.844 15.968 1.00 0.00 H ATOM 1425 HB1 ALA A 583 0.206 5.816 13.727 1.00 0.00 H ATOM 1426 HB2 ALA A 583 -0.899 7.088 14.304 1.00 0.00 H ATOM 1427 HB3 ALA A 583 0.769 7.010 14.922 1.00 0.00 H ATOM 1428 H ALA A 583 -1.995 4.757 14.290 1.00 0.00 H ATOM 1429 N VAL A 584 -0.014 6.421 17.893 1.00 15.13 N ATOM 1430 CA VAL A 584 -0.232 7.170 19.128 1.00 12.43 C ATOM 1431 C VAL A 584 0.373 8.563 18.954 1.00 15.22 C ATOM 1432 O VAL A 584 1.584 8.695 18.736 1.00 15.02 O ATOM 1433 CB VAL A 584 0.427 6.456 20.334 1.00 16.90 C ATOM 1434 CG1 VAL A 584 0.345 7.332 21.576 1.00 13.75 C ATOM 1435 CG2 VAL A 584 -0.222 5.082 20.559 1.00 18.47 C ATOM 1436 HA VAL A 584 -1.301 7.239 19.327 1.00 0.00 H ATOM 1437 HB VAL A 584 1.483 6.290 20.119 1.00 0.00 H ATOM 1438 HG11 VAL A 584 0.865 8.272 21.391 1.00 0.00 H ATOM 1439 HG12 VAL A 584 -0.701 7.533 21.809 1.00 0.00 H ATOM 1440 HG13 VAL A 584 0.812 6.816 22.415 1.00 0.00 H ATOM 1441 HG21 VAL A 584 -1.285 5.212 20.759 1.00 0.00 H ATOM 1442 HG22 VAL A 584 -0.091 4.469 19.667 1.00 0.00 H ATOM 1443 HG23 VAL A 584 0.252 4.593 21.410 1.00 0.00 H ATOM 1444 H VAL A 584 0.891 5.926 17.765 1.00 0.00 H ATOM 1445 N VAL A 585 -0.461 9.601 19.035 1.00 12.22 N ATOM 1446 CA VAL A 585 -0.015 10.923 18.603 1.00 16.17 C ATOM 1447 C VAL A 585 0.917 11.609 19.591 1.00 16.07 C ATOM 1448 O VAL A 585 1.616 12.540 19.211 1.00 14.64 O ATOM 1449 CB VAL A 585 -1.182 11.878 18.225 1.00 16.39 C ATOM 1450 CG1 VAL A 585 -1.969 11.321 17.027 1.00 13.52 C ATOM 1451 CG2 VAL A 585 -2.102 12.145 19.417 1.00 16.14 C ATOM 1452 HA VAL A 585 0.557 10.717 17.698 1.00 0.00 H ATOM 1453 HB VAL A 585 -0.749 12.835 17.934 1.00 0.00 H ATOM 1454 HG11 VAL A 585 -1.302 11.221 16.171 1.00 0.00 H ATOM 1455 HG12 VAL A 585 -2.380 10.345 17.286 1.00 0.00 H ATOM 1456 HG13 VAL A 585 -2.781 12.004 16.778 1.00 0.00 H ATOM 1457 HG21 VAL A 585 -2.527 11.203 19.764 1.00 0.00 H ATOM 1458 HG22 VAL A 585 -1.528 12.605 20.221 1.00 0.00 H ATOM 1459 HG23 VAL A 585 -2.904 12.816 19.112 1.00 0.00 H ATOM 1460 H VAL A 585 -1.424 9.469 19.404 1.00 0.00 H ATOM 1461 N ASN A 586 0.918 11.171 20.856 1.00 12.45 N ATOM 1462 CA ASN A 586 1.803 11.799 21.839 1.00 11.57 C ATOM 1463 C ASN A 586 3.101 11.032 22.117 1.00 11.88 C ATOM 1464 O ASN A 586 3.839 11.382 23.032 1.00 15.28 O ATOM 1465 CB ASN A 586 1.066 12.055 23.155 1.00 12.40 C ATOM 1466 CG ASN A 586 0.077 13.191 23.053 1.00 17.16 C ATOM 1467 OD1 ASN A 586 0.391 14.246 22.499 1.00 14.40 O ATOM 1468 ND2 ASN A 586 -1.125 12.987 23.587 1.00 18.16 N ATOM 1469 HA ASN A 586 2.100 12.742 21.381 1.00 0.00 H ATOM 1470 HB2 ASN A 586 0.530 11.149 23.438 1.00 0.00 H ATOM 1471 HB3 ASN A 586 1.799 12.297 23.925 1.00 0.00 H ATOM 1472 HD22 ASN A 586 -1.343 12.079 24.044 1.00 0.00 H ATOM 1473 HD21 ASN A 586 -1.846 13.736 23.547 1.00 0.00 H ATOM 1474 H ASN A 586 0.294 10.389 21.139 1.00 0.00 H ATOM 1475 N VAL A 587 3.391 9.995 21.338 1.00 10.88 N ATOM 1476 CA VAL A 587 4.588 9.212 21.638 1.00 13.10 C ATOM 1477 C VAL A 587 5.805 10.099 21.384 1.00 14.06 C ATOM 1478 O VAL A 587 5.788 10.950 20.488 1.00 12.23 O ATOM 1479 CB VAL A 587 4.641 7.915 20.819 1.00 16.49 C ATOM 1480 CG1 VAL A 587 4.811 8.223 19.324 1.00 13.25 C ATOM 1481 CG2 VAL A 587 5.722 6.989 21.365 1.00 17.61 C ATOM 1482 HA VAL A 587 4.574 8.899 22.682 1.00 0.00 H ATOM 1483 HB VAL A 587 3.693 7.386 20.918 1.00 0.00 H ATOM 1484 HG11 VAL A 587 3.969 8.823 18.980 1.00 0.00 H ATOM 1485 HG12 VAL A 587 5.739 8.775 19.171 1.00 0.00 H ATOM 1486 HG13 VAL A 587 4.846 7.289 18.764 1.00 0.00 H ATOM 1487 HG21 VAL A 587 6.689 7.488 21.306 1.00 0.00 H ATOM 1488 HG22 VAL A 587 5.500 6.746 22.404 1.00 0.00 H ATOM 1489 HG23 VAL A 587 5.747 6.074 20.774 1.00 0.00 H ATOM 1490 H VAL A 587 2.780 9.746 20.534 1.00 0.00 H ATOM 1491 N ALA A 588 6.838 9.941 22.196 1.00 15.22 N ATOM 1492 CA ALA A 588 7.980 10.844 22.117 1.00 12.85 C ATOM 1493 C ALA A 588 9.257 10.088 21.756 1.00 14.85 C ATOM 1494 O ALA A 588 9.409 8.918 22.108 1.00 17.18 O ATOM 1495 CB ALA A 588 8.157 11.571 23.448 1.00 18.01 C ATOM 1496 HA ALA A 588 7.787 11.573 21.330 1.00 0.00 H ATOM 1497 HB1 ALA A 588 7.257 12.145 23.669 1.00 0.00 H ATOM 1498 HB2 ALA A 588 8.328 10.841 24.239 1.00 0.00 H ATOM 1499 HB3 ALA A 588 9.012 12.244 23.382 1.00 0.00 H ATOM 1500 H ALA A 588 6.835 9.169 22.893 1.00 0.00 H ATOM 1501 N ASP A 589 10.175 10.766 21.072 1.00 13.81 N ATOM 1502 CA ASP A 589 11.453 10.153 20.696 1.00 12.63 C ATOM 1503 C ASP A 589 12.482 10.311 21.825 1.00 15.79 C ATOM 1504 O ASP A 589 12.120 10.682 22.944 1.00 15.10 O ATOM 1505 CB ASP A 589 11.975 10.707 19.353 1.00 12.84 C ATOM 1506 CG ASP A 589 12.301 12.195 19.398 1.00 14.81 C ATOM 1507 OD1 ASP A 589 12.477 12.753 20.501 1.00 17.27 O ATOM 1508 OD2 ASP A 589 12.427 12.808 18.312 1.00 14.78 O ATOM 1509 HA ASP A 589 11.287 9.086 20.549 1.00 0.00 H ATOM 1510 HB2 ASP A 589 12.880 10.163 19.083 1.00 0.00 H ATOM 1511 HB3 ASP A 589 11.213 10.543 18.591 1.00 0.00 H ATOM 1512 H ASP A 589 9.982 11.751 20.798 1.00 0.00 H ATOM 1513 N LEU A 590 13.755 10.039 21.543 1.00 14.07 N ATOM 1514 CA LEU A 590 14.776 10.088 22.591 1.00 15.37 C ATOM 1515 C LEU A 590 15.043 11.492 23.122 1.00 18.72 C ATOM 1516 O LEU A 590 15.655 11.647 24.174 1.00 19.85 O ATOM 1517 CB LEU A 590 16.092 9.454 22.112 1.00 17.90 C ATOM 1518 CG LEU A 590 16.056 7.928 22.056 1.00 27.67 C ATOM 1519 CD1 LEU A 590 17.263 7.382 21.297 1.00 31.21 C ATOM 1520 CD2 LEU A 590 16.000 7.360 23.468 1.00 27.23 C ATOM 1521 HA LEU A 590 14.369 9.509 23.420 1.00 0.00 H ATOM 1522 HB2 LEU A 590 16.311 9.830 21.113 1.00 0.00 H ATOM 1523 HB3 LEU A 590 16.887 9.755 22.794 1.00 0.00 H ATOM 1524 HG LEU A 590 15.160 7.619 21.518 1.00 0.00 H ATOM 1525 HD21 LEU A 590 16.882 7.680 24.022 1.00 0.00 H ATOM 1526 HD22 LEU A 590 15.103 7.724 23.969 1.00 0.00 H ATOM 1527 HD23 LEU A 590 15.975 6.271 23.420 1.00 0.00 H ATOM 1528 HD11 LEU A 590 17.257 7.771 20.279 1.00 0.00 H ATOM 1529 HD12 LEU A 590 18.178 7.693 21.800 1.00 0.00 H ATOM 1530 HD13 LEU A 590 17.213 6.293 21.272 1.00 0.00 H ATOM 1531 H LEU A 590 14.026 9.790 20.570 1.00 0.00 H ATOM 1532 N TRP A 591 14.606 12.504 22.378 1.00 18.66 N ATOM 1533 CA TRP A 591 14.785 13.900 22.777 1.00 20.39 C ATOM 1534 C TRP A 591 13.454 14.426 23.316 1.00 18.97 C ATOM 1535 O TRP A 591 13.289 15.623 23.550 1.00 17.42 O ATOM 1536 CB TRP A 591 15.257 14.750 21.598 1.00 18.25 C ATOM 1537 CG TRP A 591 16.647 14.388 21.093 1.00 20.77 C ATOM 1538 CD1 TRP A 591 17.837 14.950 21.476 1.00 19.47 C ATOM 1539 CD2 TRP A 591 16.973 13.381 20.122 1.00 17.63 C ATOM 1540 NE1 TRP A 591 18.879 14.354 20.800 1.00 21.97 N ATOM 1541 CE2 TRP A 591 18.375 13.394 19.960 1.00 23.34 C ATOM 1542 CE3 TRP A 591 16.212 12.484 19.361 1.00 23.33 C ATOM 1543 CZ2 TRP A 591 19.037 12.531 19.072 1.00 22.46 C ATOM 1544 CZ3 TRP A 591 16.873 11.620 18.481 1.00 23.23 C ATOM 1545 CH2 TRP A 591 18.270 11.656 18.346 1.00 24.55 C ATOM 1546 HA TRP A 591 15.550 13.961 23.551 1.00 0.00 H ATOM 1547 HB2 TRP A 591 14.550 14.623 20.778 1.00 0.00 H ATOM 1548 HB3 TRP A 591 15.266 15.794 21.910 1.00 0.00 H ATOM 1549 HE1 TRP A 591 19.885 14.593 20.909 1.00 0.00 H ATOM 1550 HD1 TRP A 591 17.943 15.751 22.208 1.00 0.00 H ATOM 1551 HZ2 TRP A 591 20.121 12.556 18.964 1.00 0.00 H ATOM 1552 HH2 TRP A 591 18.756 10.973 17.649 1.00 0.00 H ATOM 1553 HZ3 TRP A 591 16.295 10.908 17.892 1.00 0.00 H ATOM 1554 HE3 TRP A 591 15.126 12.460 19.453 1.00 0.00 H ATOM 1555 H TRP A 591 14.121 12.296 21.482 1.00 0.00 H ATOM 1556 N LYS A 592 12.527 13.494 23.524 1.00 15.50 N ATOM 1557 CA LYS A 592 11.181 13.783 24.001 1.00 12.91 C ATOM 1558 C LYS A 592 10.360 14.681 23.079 1.00 14.86 C ATOM 1559 O LYS A 592 9.437 15.348 23.541 1.00 17.48 O ATOM 1560 CB LYS A 592 11.201 14.358 25.421 1.00 18.09 C ATOM 1561 CG LYS A 592 11.746 13.395 26.443 1.00 24.66 C ATOM 1562 CD LYS A 592 10.819 12.216 26.598 1.00 32.61 C ATOM 1563 CE LYS A 592 9.944 12.358 27.831 1.00 30.85 C ATOM 1564 NZ LYS A 592 9.029 11.196 28.001 1.00 29.23 N ATOM 1565 HA LYS A 592 10.677 12.817 24.007 1.00 0.00 H ATOM 1566 HB2 LYS A 592 11.821 15.254 25.424 1.00 0.00 H ATOM 1567 HB3 LYS A 592 10.182 14.622 25.703 1.00 0.00 H ATOM 1568 HG2 LYS A 592 12.725 13.043 26.119 1.00 0.00 H ATOM 1569 HG3 LYS A 592 11.843 13.905 27.402 1.00 0.00 H ATOM 1570 HD2 LYS A 592 10.182 12.147 25.716 1.00 0.00 H ATOM 1571 HD3 LYS A 592 11.413 11.307 26.687 1.00 0.00 H ATOM 1572 HE2 LYS A 592 9.348 13.265 27.737 1.00 0.00 H ATOM 1573 HE3 LYS A 592 10.584 12.434 28.710 1.00 0.00 H ATOM 1574 HZ1 LYS A 592 8.410 11.119 27.169 1.00 0.00 H ATOM 1575 HZ2 LYS A 592 9.590 10.326 28.098 1.00 0.00 H ATOM 1576 HZ3 LYS A 592 8.450 11.334 28.854 1.00 0.00 H ATOM 1577 H LYS A 592 12.778 12.503 23.335 1.00 0.00 H ATOM 1578 N PHE A 593 10.695 14.697 21.788 1.00 15.35 N ATOM 1579 CA PHE A 593 9.857 15.344 20.775 1.00 9.17 C ATOM 1580 C PHE A 593 8.699 14.413 20.406 1.00 14.74 C ATOM 1581 O PHE A 593 8.926 13.252 20.064 1.00 14.83 O ATOM 1582 CB PHE A 593 10.642 15.581 19.474 1.00 11.55 C ATOM 1583 CG PHE A 593 11.500 16.828 19.470 1.00 17.18 C ATOM 1584 CD1 PHE A 593 11.302 17.811 18.510 1.00 18.77 C ATOM 1585 CD2 PHE A 593 12.526 16.990 20.384 1.00 17.89 C ATOM 1586 CE1 PHE A 593 12.093 18.960 18.482 1.00 20.05 C ATOM 1587 CE2 PHE A 593 13.329 18.131 20.362 1.00 18.57 C ATOM 1588 CZ PHE A 593 13.112 19.116 19.412 1.00 19.69 C ATOM 1589 HA PHE A 593 9.513 16.290 21.193 1.00 0.00 H ATOM 1590 HB2 PHE A 593 11.291 14.721 19.308 1.00 0.00 H ATOM 1591 HB3 PHE A 593 9.927 15.658 18.655 1.00 0.00 H ATOM 1592 HD2 PHE A 593 12.709 16.217 21.130 1.00 0.00 H ATOM 1593 HE2 PHE A 593 14.129 18.248 21.094 1.00 0.00 H ATOM 1594 HZ PHE A 593 13.738 20.008 19.395 1.00 0.00 H ATOM 1595 HE1 PHE A 593 11.912 19.731 17.734 1.00 0.00 H ATOM 1596 HD1 PHE A 593 10.516 17.683 17.766 1.00 0.00 H ATOM 1597 H PHE A 593 11.579 14.236 21.491 1.00 0.00 H ATOM 1598 N THR A 594 7.474 14.919 20.445 1.00 12.92 N ATOM 1599 CA THR A 594 6.344 14.176 19.899 1.00 12.13 C ATOM 1600 C THR A 594 6.137 14.581 18.438 1.00 13.40 C ATOM 1601 O THR A 594 6.774 15.509 17.939 1.00 12.24 O ATOM 1602 CB THR A 594 5.051 14.481 20.660 1.00 12.12 C ATOM 1603 OG1 THR A 594 4.635 15.808 20.343 1.00 12.52 O ATOM 1604 CG2 THR A 594 5.246 14.339 22.182 1.00 13.46 C ATOM 1605 HA THR A 594 6.568 13.113 19.990 1.00 0.00 H ATOM 1606 HB THR A 594 4.288 13.763 20.359 1.00 0.00 H ATOM 1607 HG1 THR A 594 3.799 16.016 20.830 1.00 0.00 H ATOM 1608 HG23 THR A 594 5.564 13.322 22.413 1.00 0.00 H ATOM 1609 HG21 THR A 594 6.007 15.044 22.517 1.00 0.00 H ATOM 1610 HG22 THR A 594 4.305 14.551 22.689 1.00 0.00 H ATOM 1611 H THR A 594 7.317 15.855 20.869 1.00 0.00 H ATOM 1612 N PRO A 595 5.237 13.884 17.732 1.00 12.40 N ATOM 1613 CA PRO A 595 4.965 14.332 16.366 1.00 10.37 C ATOM 1614 C PRO A 595 4.414 15.763 16.323 1.00 11.58 C ATOM 1615 O PRO A 595 4.578 16.425 15.302 1.00 13.12 O ATOM 1616 CB PRO A 595 3.912 13.312 15.863 1.00 11.22 C ATOM 1617 CG PRO A 595 4.266 12.053 16.618 1.00 12.19 C ATOM 1618 CD PRO A 595 4.636 12.566 18.016 1.00 11.10 C ATOM 1619 HA PRO A 595 5.865 14.365 15.752 1.00 0.00 H ATOM 1620 HD3 PRO A 595 3.751 12.665 18.645 1.00 0.00 H ATOM 1621 HD2 PRO A 595 5.353 11.903 18.501 1.00 0.00 H ATOM 1622 HG3 PRO A 595 5.110 11.544 16.153 1.00 0.00 H ATOM 1623 HG2 PRO A 595 3.415 11.374 16.664 1.00 0.00 H ATOM 1624 HB2 PRO A 595 2.901 13.642 16.104 1.00 0.00 H ATOM 1625 HB3 PRO A 595 3.997 13.160 14.787 1.00 0.00 H ATOM 1626 N LEU A 596 3.769 16.226 17.393 1.00 10.41 N ATOM 1627 CA LEU A 596 3.305 17.611 17.444 1.00 9.29 C ATOM 1628 C LEU A 596 4.463 18.622 17.623 1.00 10.17 C ATOM 1629 O LEU A 596 4.442 19.698 17.019 1.00 14.58 O ATOM 1630 CB LEU A 596 2.244 17.804 18.536 1.00 11.48 C ATOM 1631 CG LEU A 596 1.569 19.178 18.564 1.00 15.13 C ATOM 1632 CD1 LEU A 596 0.864 19.472 17.229 1.00 13.57 C ATOM 1633 CD2 LEU A 596 0.578 19.288 19.763 1.00 13.26 C ATOM 1634 HA LEU A 596 2.848 17.817 16.476 1.00 0.00 H ATOM 1635 HB2 LEU A 596 1.469 17.052 18.388 1.00 0.00 H ATOM 1636 HB3 LEU A 596 2.723 17.645 19.502 1.00 0.00 H ATOM 1637 HG LEU A 596 2.344 19.932 18.703 1.00 0.00 H ATOM 1638 HD21 LEU A 596 -0.191 18.521 19.669 1.00 0.00 H ATOM 1639 HD22 LEU A 596 1.122 19.146 20.697 1.00 0.00 H ATOM 1640 HD23 LEU A 596 0.113 20.274 19.759 1.00 0.00 H ATOM 1641 HD11 LEU A 596 1.596 19.458 16.422 1.00 0.00 H ATOM 1642 HD12 LEU A 596 0.104 18.712 17.046 1.00 0.00 H ATOM 1643 HD13 LEU A 596 0.393 20.454 17.277 1.00 0.00 H ATOM 1644 H LEU A 596 3.594 15.595 18.201 1.00 0.00 H ATOM 1645 N HIS A 597 5.485 18.288 18.414 1.00 11.50 N ATOM 1646 CA HIS A 597 6.686 19.139 18.443 1.00 12.12 C ATOM 1647 C HIS A 597 7.220 19.293 17.015 1.00 13.90 C ATOM 1648 O HIS A 597 7.611 20.379 16.580 1.00 13.54 O ATOM 1649 CB HIS A 597 7.804 18.506 19.275 1.00 13.67 C ATOM 1650 CG HIS A 597 7.633 18.652 20.754 1.00 14.10 C ATOM 1651 ND1 HIS A 597 7.155 17.632 21.550 1.00 18.23 N ATOM 1652 CD2 HIS A 597 7.924 19.677 21.589 1.00 15.36 C ATOM 1653 CE1 HIS A 597 7.125 18.036 22.806 1.00 17.42 C ATOM 1654 NE2 HIS A 597 7.590 19.272 22.859 1.00 16.31 N ATOM 1655 HA HIS A 597 6.403 20.096 18.881 1.00 0.00 H ATOM 1656 HB2 HIS A 597 7.844 17.442 19.040 1.00 0.00 H ATOM 1657 HB3 HIS A 597 8.747 18.975 18.993 1.00 0.00 H ATOM 1658 HD2 HIS A 597 8.344 20.642 21.307 1.00 0.00 H ATOM 1659 HE1 HIS A 597 6.776 17.450 23.656 1.00 0.00 H ATOM 1660 H HIS A 597 5.433 17.434 19.005 1.00 0.00 H ATOM 1661 N GLU A 598 7.250 18.177 16.300 1.00 12.31 N ATOM 1662 CA GLU A 598 7.804 18.155 14.950 1.00 14.10 C ATOM 1663 C GLU A 598 6.979 19.002 13.978 1.00 15.00 C ATOM 1664 O GLU A 598 7.527 19.846 13.267 1.00 14.44 O ATOM 1665 CB GLU A 598 7.939 16.717 14.444 1.00 14.40 C ATOM 1666 CG GLU A 598 8.760 16.596 13.144 1.00 16.54 C ATOM 1667 CD GLU A 598 10.222 17.008 13.299 1.00 17.56 C ATOM 1668 OE1 GLU A 598 10.797 16.818 14.388 1.00 23.48 O ATOM 1669 OE2 GLU A 598 10.814 17.503 12.310 1.00 19.09 O ATOM 1670 HA GLU A 598 8.798 18.599 14.999 1.00 0.00 H ATOM 1671 HB2 GLU A 598 8.427 16.123 15.217 1.00 0.00 H ATOM 1672 HB3 GLU A 598 6.940 16.321 14.260 1.00 0.00 H ATOM 1673 HG2 GLU A 598 8.728 15.558 12.812 1.00 0.00 H ATOM 1674 HG3 GLU A 598 8.302 17.232 12.387 1.00 0.00 H ATOM 1675 H GLU A 598 6.871 17.299 16.709 1.00 0.00 H ATOM 1676 N ALA A 599 5.665 18.795 13.956 1.00 12.47 N ATOM 1677 CA ALA A 599 4.803 19.549 13.039 1.00 16.64 C ATOM 1678 C ALA A 599 4.841 21.045 13.350 1.00 17.44 C ATOM 1679 O ALA A 599 4.826 21.881 12.440 1.00 15.22 O ATOM 1680 CB ALA A 599 3.368 19.031 13.088 1.00 10.16 C ATOM 1681 HA ALA A 599 5.187 19.402 12.030 1.00 0.00 H ATOM 1682 HB1 ALA A 599 3.352 17.980 12.799 1.00 0.00 H ATOM 1683 HB2 ALA A 599 2.979 19.137 14.101 1.00 0.00 H ATOM 1684 HB3 ALA A 599 2.751 19.608 12.399 1.00 0.00 H ATOM 1685 H ALA A 599 5.244 18.091 14.596 1.00 0.00 H ATOM 1686 N ALA A 600 4.869 21.375 14.637 1.00 14.78 N ATOM 1687 CA ALA A 600 4.979 22.765 15.074 1.00 13.42 C ATOM 1688 C ALA A 600 6.292 23.422 14.613 1.00 15.65 C ATOM 1689 O ALA A 600 6.289 24.526 14.040 1.00 18.41 O ATOM 1690 CB ALA A 600 4.850 22.854 16.604 1.00 12.00 C ATOM 1691 HA ALA A 600 4.161 23.314 14.607 1.00 0.00 H ATOM 1692 HB1 ALA A 600 3.881 22.460 16.909 1.00 0.00 H ATOM 1693 HB2 ALA A 600 5.644 22.270 17.069 1.00 0.00 H ATOM 1694 HB3 ALA A 600 4.934 23.895 16.914 1.00 0.00 H ATOM 1695 H ALA A 600 4.811 20.623 15.353 1.00 0.00 H ATOM 1696 N ALA A 601 7.410 22.759 14.897 1.00 16.24 N ATOM 1697 CA ALA A 601 8.729 23.280 14.531 1.00 18.25 C ATOM 1698 C ALA A 601 8.879 23.408 13.017 1.00 20.59 C ATOM 1699 O ALA A 601 9.594 24.289 12.521 1.00 22.22 O ATOM 1700 CB ALA A 601 9.820 22.386 15.084 1.00 20.16 C ATOM 1701 HA ALA A 601 8.824 24.275 14.966 1.00 0.00 H ATOM 1702 HB1 ALA A 601 9.741 22.348 16.170 1.00 0.00 H ATOM 1703 HB2 ALA A 601 9.707 21.382 14.675 1.00 0.00 H ATOM 1704 HB3 ALA A 601 10.794 22.787 14.803 1.00 0.00 H ATOM 1705 H ALA A 601 7.346 21.847 15.392 1.00 0.00 H ATOM 1706 N LYS A 602 8.214 22.519 12.286 1.00 20.00 N ATOM 1707 CA LYS A 602 8.322 22.504 10.829 1.00 20.90 C ATOM 1708 C LYS A 602 7.277 23.402 10.156 1.00 20.54 C ATOM 1709 O LYS A 602 7.281 23.568 8.932 1.00 19.45 O ATOM 1710 CB LYS A 602 8.249 21.070 10.303 1.00 17.39 C ATOM 1711 CG LYS A 602 9.525 20.275 10.538 1.00 18.20 C ATOM 1712 CD LYS A 602 10.729 21.073 10.014 1.00 25.13 C ATOM 1713 CE LYS A 602 11.648 20.250 9.132 1.00 32.63 C ATOM 1714 NZ LYS A 602 10.960 19.438 8.076 1.00 23.47 N ATOM 1715 HA LYS A 602 9.296 22.919 10.569 1.00 0.00 H ATOM 1716 HB2 LYS A 602 7.426 20.559 10.803 1.00 0.00 H ATOM 1717 HB3 LYS A 602 8.055 21.104 9.231 1.00 0.00 H ATOM 1718 HG2 LYS A 602 9.647 20.091 11.605 1.00 0.00 H ATOM 1719 HG3 LYS A 602 9.463 19.323 10.011 1.00 0.00 H ATOM 1720 HD2 LYS A 602 10.359 21.920 9.436 1.00 0.00 H ATOM 1721 HD3 LYS A 602 11.301 21.439 10.867 1.00 0.00 H ATOM 1722 HE2 LYS A 602 12.208 19.567 9.772 1.00 0.00 H ATOM 1723 HE3 LYS A 602 12.340 20.931 8.637 1.00 0.00 H ATOM 1724 HZ1 LYS A 602 10.304 18.769 8.527 1.00 0.00 H ATOM 1725 HZ2 LYS A 602 10.430 20.071 7.444 1.00 0.00 H ATOM 1726 HZ3 LYS A 602 11.670 18.912 7.527 1.00 0.00 H ATOM 1727 H LYS A 602 7.606 21.821 12.760 1.00 0.00 H ATOM 1728 N GLY A 603 6.381 23.975 10.955 1.00 19.48 N ATOM 1729 CA GLY A 603 5.387 24.911 10.443 1.00 20.84 C ATOM 1730 C GLY A 603 4.287 24.274 9.603 1.00 20.96 C ATOM 1731 O GLY A 603 3.847 24.847 8.609 1.00 23.80 O ATOM 1732 HA3 GLY A 603 5.901 25.649 9.827 1.00 0.00 H ATOM 1733 HA2 GLY A 603 4.920 25.410 11.292 1.00 0.00 H ATOM 1734 H GLY A 603 6.390 23.750 11.970 1.00 0.00 H ATOM 1735 N LYS A 604 3.840 23.091 10.005 1.00 17.38 N ATOM 1736 CA LYS A 604 2.849 22.332 9.237 1.00 19.18 C ATOM 1737 C LYS A 604 1.444 22.480 9.841 1.00 17.15 C ATOM 1738 O LYS A 604 1.034 21.679 10.685 1.00 14.32 O ATOM 1739 CB LYS A 604 3.247 20.852 9.204 1.00 12.42 C ATOM 1740 CG LYS A 604 4.622 20.616 8.582 1.00 13.91 C ATOM 1741 CD LYS A 604 4.709 21.190 7.166 1.00 18.59 C ATOM 1742 CE LYS A 604 6.117 21.019 6.599 1.00 18.44 C ATOM 1743 NZ LYS A 604 6.285 21.558 5.201 1.00 25.68 N ATOM 1744 HA LYS A 604 2.825 22.730 8.223 1.00 0.00 H ATOM 1745 HB2 LYS A 604 3.258 20.472 10.226 1.00 0.00 H ATOM 1746 HB3 LYS A 604 2.504 20.305 8.623 1.00 0.00 H ATOM 1747 HG2 LYS A 604 5.378 21.094 9.204 1.00 0.00 H ATOM 1748 HG3 LYS A 604 4.812 19.543 8.541 1.00 0.00 H ATOM 1749 HD2 LYS A 604 3.999 20.669 6.524 1.00 0.00 H ATOM 1750 HD3 LYS A 604 4.461 22.251 7.194 1.00 0.00 H ATOM 1751 HE2 LYS A 604 6.355 19.955 6.587 1.00 0.00 H ATOM 1752 HE3 LYS A 604 6.816 21.540 7.254 1.00 0.00 H ATOM 1753 HZ1 LYS A 604 5.633 21.063 4.559 1.00 0.00 H ATOM 1754 HZ2 LYS A 604 6.073 22.576 5.195 1.00 0.00 H ATOM 1755 HZ3 LYS A 604 7.265 21.405 4.887 1.00 0.00 H ATOM 1756 H LYS A 604 4.204 22.690 10.893 1.00 0.00 H ATOM 1757 N TYR A 605 0.705 23.490 9.387 1.00 14.44 N ATOM 1758 CA TYR A 605 -0.585 23.818 9.991 1.00 18.05 C ATOM 1759 C TYR A 605 -1.617 22.682 9.987 1.00 15.45 C ATOM 1760 O TYR A 605 -2.234 22.394 11.015 1.00 14.52 O ATOM 1761 CB TYR A 605 -1.184 25.064 9.330 1.00 20.03 C ATOM 1762 CG TYR A 605 -2.541 25.438 9.872 1.00 19.03 C ATOM 1763 CD1 TYR A 605 -2.659 26.217 11.010 1.00 22.85 C ATOM 1764 CD2 TYR A 605 -3.707 25.019 9.238 1.00 23.68 C ATOM 1765 CE1 TYR A 605 -3.895 26.570 11.503 1.00 25.55 C ATOM 1766 CE2 TYR A 605 -4.950 25.362 9.733 1.00 26.54 C ATOM 1767 CZ TYR A 605 -5.035 26.142 10.860 1.00 28.37 C ATOM 1768 OH TYR A 605 -6.265 26.489 11.359 1.00 28.96 O ATOM 1769 HA TYR A 605 -0.361 24.006 11.041 1.00 0.00 H ATOM 1770 HB3 TYR A 605 -1.279 24.876 8.261 1.00 0.00 H ATOM 1771 HB2 TYR A 605 -0.505 25.901 9.491 1.00 0.00 H ATOM 1772 HD2 TYR A 605 -3.638 24.410 8.336 1.00 0.00 H ATOM 1773 HE2 TYR A 605 -5.855 25.017 9.234 1.00 0.00 H ATOM 1774 HE1 TYR A 605 -3.971 27.186 12.399 1.00 0.00 H ATOM 1775 HD1 TYR A 605 -1.759 26.556 11.524 1.00 0.00 H ATOM 1776 HH TYR A 605 -6.146 27.048 12.167 1.00 0.00 H ATOM 1777 H TYR A 605 1.052 24.057 8.587 1.00 0.00 H ATOM 1778 N GLU A 606 -1.824 22.046 8.840 1.00 15.48 N ATOM 1779 CA GLU A 606 -2.862 21.016 8.767 1.00 15.05 C ATOM 1780 C GLU A 606 -2.472 19.782 9.587 1.00 20.93 C ATOM 1781 O GLU A 606 -3.325 19.109 10.173 1.00 15.77 O ATOM 1782 CB GLU A 606 -3.155 20.639 7.317 1.00 14.68 C ATOM 1783 CG GLU A 606 -3.586 21.836 6.440 1.00 18.67 C ATOM 1784 CD GLU A 606 -4.952 22.394 6.819 1.00 22.93 C ATOM 1785 OE1 GLU A 606 -5.688 21.710 7.550 1.00 25.65 O ATOM 1786 OE2 GLU A 606 -5.294 23.509 6.367 1.00 28.32 O ATOM 1787 HA GLU A 606 -3.774 21.428 9.198 1.00 0.00 H ATOM 1788 HB2 GLU A 606 -2.254 20.202 6.886 1.00 0.00 H ATOM 1789 HB3 GLU A 606 -3.956 19.899 7.308 1.00 0.00 H ATOM 1790 HG2 GLU A 606 -2.846 22.629 6.547 1.00 0.00 H ATOM 1791 HG3 GLU A 606 -3.620 21.510 5.400 1.00 0.00 H ATOM 1792 H GLU A 606 -1.254 22.277 8.001 1.00 0.00 H ATOM 1793 N ILE A 607 -1.179 19.483 9.623 1.00 17.40 N ATOM 1794 CA ILE A 607 -0.703 18.371 10.436 1.00 15.09 C ATOM 1795 C ILE A 607 -0.950 18.645 11.913 1.00 13.87 C ATOM 1796 O ILE A 607 -1.441 17.772 12.622 1.00 12.54 O ATOM 1797 CB ILE A 607 0.787 18.107 10.250 1.00 14.37 C ATOM 1798 CG1 ILE A 607 1.096 17.739 8.791 1.00 16.99 C ATOM 1799 CG2 ILE A 607 1.255 17.009 11.251 1.00 13.54 C ATOM 1800 CD1 ILE A 607 0.506 16.430 8.340 1.00 18.42 C ATOM 1801 HA ILE A 607 -1.259 17.494 10.105 1.00 0.00 H ATOM 1802 HB ILE A 607 1.348 19.016 10.468 1.00 0.00 H ATOM 1803 HG12 ILE A 607 0.704 18.529 8.150 1.00 0.00 H ATOM 1804 HG13 ILE A 607 2.178 17.683 8.675 1.00 0.00 H ATOM 1805 HD11 ILE A 607 0.897 15.624 8.961 1.00 0.00 H ATOM 1806 HD12 ILE A 607 -0.579 16.470 8.435 1.00 0.00 H ATOM 1807 HD13 ILE A 607 0.775 16.251 7.299 1.00 0.00 H ATOM 1808 HG21 ILE A 607 1.072 17.347 12.271 1.00 0.00 H ATOM 1809 HG22 ILE A 607 0.699 16.090 11.066 1.00 0.00 H ATOM 1810 HG23 ILE A 607 2.320 16.824 11.114 1.00 0.00 H ATOM 1811 H ILE A 607 -0.502 20.045 9.068 1.00 0.00 H ATOM 1812 N CYS A 608 -0.587 19.845 12.373 1.00 12.61 N ATOM 1813 CA CYS A 608 -0.886 20.250 13.747 1.00 13.73 C ATOM 1814 C CYS A 608 -2.375 20.091 14.042 1.00 14.32 C ATOM 1815 O CYS A 608 -2.761 19.554 15.084 1.00 9.82 O ATOM 1816 CB CYS A 608 -0.481 21.706 13.995 1.00 13.60 C ATOM 1817 SG CYS A 608 1.325 21.973 14.125 1.00 14.76 S ATOM 1818 HA CYS A 608 -0.311 19.603 14.410 1.00 0.00 H ATOM 1819 HB2 CYS A 608 -0.943 22.036 14.926 1.00 0.00 H ATOM 1820 HB3 CYS A 608 -0.857 22.311 13.170 1.00 0.00 H ATOM 1821 HG CYS A 608 1.932 21.578 12.950 1.00 0.00 H ATOM 1822 H CYS A 608 -0.083 20.503 11.744 1.00 0.00 H ATOM 1823 N LYS A 609 -3.210 20.591 13.136 1.00 12.69 N ATOM 1824 CA LYS A 609 -4.650 20.479 13.322 1.00 12.81 C ATOM 1825 C LYS A 609 -5.099 19.022 13.443 1.00 17.28 C ATOM 1826 O LYS A 609 -5.853 18.688 14.350 1.00 14.45 O ATOM 1827 CB LYS A 609 -5.403 21.199 12.206 1.00 19.07 C ATOM 1828 CG LYS A 609 -6.883 21.382 12.492 1.00 22.84 C ATOM 1829 CD LYS A 609 -7.522 22.227 11.400 1.00 28.52 C ATOM 1830 CE LYS A 609 -8.978 22.510 11.688 1.00 35.85 C ATOM 1831 NZ LYS A 609 -9.473 23.590 10.794 1.00 41.92 N ATOM 1832 HA LYS A 609 -4.894 20.968 14.265 1.00 0.00 H ATOM 1833 HB2 LYS A 609 -4.954 22.183 12.066 1.00 0.00 H ATOM 1834 HB3 LYS A 609 -5.298 20.619 11.289 1.00 0.00 H ATOM 1835 HG2 LYS A 609 -7.368 20.406 12.525 1.00 0.00 H ATOM 1836 HG3 LYS A 609 -7.006 21.880 13.454 1.00 0.00 H ATOM 1837 HD2 LYS A 609 -6.986 23.173 11.327 1.00 0.00 H ATOM 1838 HD3 LYS A 609 -7.447 21.694 10.452 1.00 0.00 H ATOM 1839 HE2 LYS A 609 -9.087 22.823 12.727 1.00 0.00 H ATOM 1840 HE3 LYS A 609 -9.562 21.605 11.519 1.00 0.00 H ATOM 1841 HZ1 LYS A 609 -8.917 24.454 10.956 1.00 0.00 H ATOM 1842 HZ2 LYS A 609 -9.371 23.292 9.803 1.00 0.00 H ATOM 1843 HZ3 LYS A 609 -10.475 23.777 11.000 1.00 0.00 H ATOM 1844 H LYS A 609 -2.833 21.064 12.290 1.00 0.00 H ATOM 1845 N LEU A 610 -4.622 18.158 12.541 1.00 14.43 N ATOM 1846 CA LEU A 610 -4.939 16.727 12.599 1.00 14.60 C ATOM 1847 C LEU A 610 -4.523 16.108 13.942 1.00 12.26 C ATOM 1848 O LEU A 610 -5.309 15.437 14.603 1.00 13.26 O ATOM 1849 CB LEU A 610 -4.245 15.984 11.458 1.00 11.64 C ATOM 1850 CG LEU A 610 -4.346 14.451 11.453 1.00 17.69 C ATOM 1851 CD1 LEU A 610 -5.774 13.983 11.163 1.00 18.68 C ATOM 1852 CD2 LEU A 610 -3.374 13.839 10.436 1.00 18.66 C ATOM 1853 HA LEU A 610 -6.020 16.628 12.498 1.00 0.00 H ATOM 1854 HB2 LEU A 610 -4.674 16.344 10.523 1.00 0.00 H ATOM 1855 HB3 LEU A 610 -3.187 16.243 11.494 1.00 0.00 H ATOM 1856 HG LEU A 610 -4.072 14.107 12.450 1.00 0.00 H ATOM 1857 HD21 LEU A 610 -3.613 14.209 9.439 1.00 0.00 H ATOM 1858 HD22 LEU A 610 -2.354 14.122 10.695 1.00 0.00 H ATOM 1859 HD23 LEU A 610 -3.467 12.753 10.454 1.00 0.00 H ATOM 1860 HD11 LEU A 610 -6.445 14.371 11.930 1.00 0.00 H ATOM 1861 HD12 LEU A 610 -6.085 14.353 10.186 1.00 0.00 H ATOM 1862 HD13 LEU A 610 -5.806 12.893 11.168 1.00 0.00 H ATOM 1863 H LEU A 610 -4.010 18.510 11.778 1.00 0.00 H ATOM 1864 N LEU A 611 -3.280 16.331 14.341 1.00 9.17 N ATOM 1865 CA LEU A 611 -2.797 15.803 15.621 1.00 9.82 C ATOM 1866 C LEU A 611 -3.643 16.274 16.811 1.00 9.43 C ATOM 1867 O LEU A 611 -3.994 15.479 17.685 1.00 13.32 O ATOM 1868 CB LEU A 611 -1.339 16.211 15.838 1.00 9.54 C ATOM 1869 CG LEU A 611 -0.377 15.666 14.770 1.00 8.58 C ATOM 1870 CD1 LEU A 611 1.008 16.291 14.949 1.00 9.84 C ATOM 1871 CD2 LEU A 611 -0.298 14.145 14.851 1.00 10.66 C ATOM 1872 HA LEU A 611 -2.881 14.718 15.569 1.00 0.00 H ATOM 1873 HB2 LEU A 611 -1.281 17.299 15.830 1.00 0.00 H ATOM 1874 HB3 LEU A 611 -1.019 15.839 16.811 1.00 0.00 H ATOM 1875 HG LEU A 611 -0.755 15.933 13.783 1.00 0.00 H ATOM 1876 HD21 LEU A 611 0.064 13.853 15.837 1.00 0.00 H ATOM 1877 HD22 LEU A 611 -1.289 13.722 14.686 1.00 0.00 H ATOM 1878 HD23 LEU A 611 0.387 13.777 14.088 1.00 0.00 H ATOM 1879 HD11 LEU A 611 0.933 17.374 14.847 1.00 0.00 H ATOM 1880 HD12 LEU A 611 1.392 16.044 15.939 1.00 0.00 H ATOM 1881 HD13 LEU A 611 1.683 15.899 14.188 1.00 0.00 H ATOM 1882 H LEU A 611 -2.639 16.887 13.740 1.00 0.00 H ATOM 1883 N LEU A 612 -3.942 17.572 16.865 1.00 9.62 N ATOM 1884 CA LEU A 612 -4.741 18.107 17.967 1.00 11.34 C ATOM 1885 C LEU A 612 -6.148 17.501 17.998 1.00 15.58 C ATOM 1886 O LEU A 612 -6.710 17.244 19.068 1.00 14.45 O ATOM 1887 CB LEU A 612 -4.801 19.632 17.894 1.00 12.29 C ATOM 1888 CG LEU A 612 -3.489 20.371 18.231 1.00 12.79 C ATOM 1889 CD1 LEU A 612 -3.556 21.794 17.708 1.00 11.82 C ATOM 1890 CD2 LEU A 612 -3.209 20.382 19.745 1.00 11.97 C ATOM 1891 HA LEU A 612 -4.251 17.825 18.899 1.00 0.00 H ATOM 1892 HB2 LEU A 612 -5.090 19.908 16.880 1.00 0.00 H ATOM 1893 HB3 LEU A 612 -5.566 19.971 18.593 1.00 0.00 H ATOM 1894 HG LEU A 612 -2.671 19.836 17.749 1.00 0.00 H ATOM 1895 HD21 LEU A 612 -4.027 20.885 20.261 1.00 0.00 H ATOM 1896 HD22 LEU A 612 -3.126 19.357 20.105 1.00 0.00 H ATOM 1897 HD23 LEU A 612 -2.276 20.912 19.937 1.00 0.00 H ATOM 1898 HD11 LEU A 612 -3.695 21.776 16.627 1.00 0.00 H ATOM 1899 HD12 LEU A 612 -4.394 22.312 18.175 1.00 0.00 H ATOM 1900 HD13 LEU A 612 -2.628 22.312 17.948 1.00 0.00 H ATOM 1901 H LEU A 612 -3.604 18.210 16.117 1.00 0.00 H ATOM 1902 N GLN A 613 -6.715 17.282 16.820 1.00 14.40 N ATOM 1903 CA GLN A 613 -8.037 16.688 16.731 1.00 17.37 C ATOM 1904 C GLN A 613 -8.051 15.285 17.309 1.00 13.24 C ATOM 1905 O GLN A 613 -9.095 14.800 17.753 1.00 14.89 O ATOM 1906 CB GLN A 613 -8.515 16.665 15.281 1.00 21.02 C ATOM 1907 CG GLN A 613 -8.906 18.028 14.780 1.00 19.81 C ATOM 1908 CD GLN A 613 -9.203 18.030 13.302 1.00 25.90 C ATOM 1909 OE1 GLN A 613 -8.678 17.209 12.547 1.00 22.04 O ATOM 1910 NE2 GLN A 613 -10.038 18.965 12.877 1.00 25.00 N ATOM 1911 HA GLN A 613 -8.719 17.303 17.319 1.00 0.00 H ATOM 1912 HB2 GLN A 613 -7.711 16.280 14.654 1.00 0.00 H ATOM 1913 HB3 GLN A 613 -9.379 16.005 15.208 1.00 0.00 H ATOM 1914 HG2 GLN A 613 -9.795 18.358 15.317 1.00 0.00 H ATOM 1915 HG3 GLN A 613 -8.088 18.721 14.975 1.00 0.00 H ATOM 1916 HE22 GLN A 613 -10.456 19.636 13.553 1.00 0.00 H ATOM 1917 HE21 GLN A 613 -10.276 19.029 11.867 1.00 0.00 H ATOM 1918 H GLN A 613 -6.207 17.539 15.949 1.00 0.00 H ATOM 1919 N HIS A 614 -6.890 14.635 17.284 1.00 12.10 N ATOM 1920 CA HIS A 614 -6.749 13.284 17.814 1.00 14.22 C ATOM 1921 C HIS A 614 -6.141 13.235 19.220 1.00 16.10 C ATOM 1922 O HIS A 614 -5.649 12.186 19.669 1.00 17.03 O ATOM 1923 CB HIS A 614 -5.963 12.408 16.824 1.00 16.04 C ATOM 1924 CG HIS A 614 -6.778 11.985 15.640 1.00 15.98 C ATOM 1925 ND1 HIS A 614 -6.836 12.716 14.473 1.00 20.78 N ATOM 1926 CD2 HIS A 614 -7.605 10.928 15.465 1.00 17.45 C ATOM 1927 CE1 HIS A 614 -7.648 12.114 13.621 1.00 20.63 C ATOM 1928 NE2 HIS A 614 -8.124 11.024 14.197 1.00 26.14 N ATOM 1929 HA HIS A 614 -7.755 12.881 17.925 1.00 0.00 H ATOM 1930 HB2 HIS A 614 -5.101 12.973 16.469 1.00 0.00 H ATOM 1931 HB3 HIS A 614 -5.620 11.515 17.347 1.00 0.00 H ATOM 1932 HD2 HIS A 614 -7.819 10.147 16.194 1.00 0.00 H ATOM 1933 HE1 HIS A 614 -7.885 12.458 12.614 1.00 0.00 H ATOM 1934 H HIS A 614 -6.058 15.105 16.874 1.00 0.00 H ATOM 1935 N GLY A 615 -6.188 14.369 19.909 1.00 12.13 N ATOM 1936 CA GLY A 615 -5.791 14.416 21.304 1.00 14.42 C ATOM 1937 C GLY A 615 -4.320 14.701 21.565 1.00 14.11 C ATOM 1938 O GLY A 615 -3.844 14.467 22.668 1.00 14.34 O ATOM 1939 HA3 GLY A 615 -6.030 13.452 21.752 1.00 0.00 H ATOM 1940 HA2 GLY A 615 -6.375 15.197 21.792 1.00 0.00 H ATOM 1941 H GLY A 615 -6.515 15.238 19.441 1.00 0.00 H ATOM 1942 N ALA A 616 -3.598 15.216 20.579 1.00 11.00 N ATOM 1943 CA ALA A 616 -2.188 15.561 20.820 1.00 10.87 C ATOM 1944 C ALA A 616 -2.089 16.690 21.848 1.00 12.43 C ATOM 1945 O ALA A 616 -2.939 17.568 21.895 1.00 16.45 O ATOM 1946 CB ALA A 616 -1.471 15.928 19.527 1.00 9.08 C ATOM 1947 HA ALA A 616 -1.688 14.680 21.223 1.00 0.00 H ATOM 1948 HB1 ALA A 616 -1.506 15.082 18.841 1.00 0.00 H ATOM 1949 HB2 ALA A 616 -1.963 16.787 19.072 1.00 0.00 H ATOM 1950 HB3 ALA A 616 -0.433 16.176 19.747 1.00 0.00 H ATOM 1951 H ALA A 616 -4.025 15.375 19.644 1.00 0.00 H ATOM 1952 N ASP A 617 -1.065 16.637 22.691 1.00 10.74 N ATOM 1953 CA ASP A 617 -0.922 17.583 23.799 1.00 12.34 C ATOM 1954 C ASP A 617 0.100 18.671 23.460 1.00 12.03 C ATOM 1955 O ASP A 617 1.297 18.380 23.320 1.00 12.93 O ATOM 1956 CB ASP A 617 -0.473 16.810 25.038 1.00 14.41 C ATOM 1957 CG ASP A 617 -0.427 17.667 26.287 1.00 19.14 C ATOM 1958 OD1 ASP A 617 -0.376 18.908 26.178 1.00 19.91 O ATOM 1959 OD2 ASP A 617 -0.430 17.085 27.389 1.00 23.12 O ATOM 1960 HA ASP A 617 -1.878 18.072 23.984 1.00 0.00 H ATOM 1961 HB2 ASP A 617 -1.169 15.988 25.206 1.00 0.00 H ATOM 1962 HB3 ASP A 617 0.524 16.409 24.855 1.00 0.00 H ATOM 1963 H ASP A 617 -0.342 15.901 22.560 1.00 0.00 H ATOM 1964 N PRO A 618 -0.359 19.926 23.327 1.00 15.04 N ATOM 1965 CA PRO A 618 0.523 21.040 22.953 1.00 13.89 C ATOM 1966 C PRO A 618 1.309 21.594 24.142 1.00 15.61 C ATOM 1967 O PRO A 618 1.951 22.645 24.003 1.00 12.89 O ATOM 1968 CB PRO A 618 -0.469 22.104 22.479 1.00 15.96 C ATOM 1969 CG PRO A 618 -1.669 21.882 23.364 1.00 15.10 C ATOM 1970 CD PRO A 618 -1.764 20.362 23.461 1.00 15.09 C ATOM 1971 HA PRO A 618 1.269 20.736 22.219 1.00 0.00 H ATOM 1972 HD3 PRO A 618 -2.178 20.057 24.422 1.00 0.00 H ATOM 1973 HD2 PRO A 618 -2.378 19.956 22.657 1.00 0.00 H ATOM 1974 HG3 PRO A 618 -2.569 22.301 22.913 1.00 0.00 H ATOM 1975 HG2 PRO A 618 -1.516 22.327 24.347 1.00 0.00 H ATOM 1976 HB2 PRO A 618 -0.062 23.106 22.617 1.00 0.00 H ATOM 1977 HB3 PRO A 618 -0.726 21.959 21.430 1.00 0.00 H ATOM 1978 N THR A 619 1.233 20.922 25.288 1.00 13.97 N ATOM 1979 CA THR A 619 1.879 21.412 26.510 1.00 15.11 C ATOM 1980 C THR A 619 3.026 20.502 26.958 1.00 15.35 C ATOM 1981 O THR A 619 3.664 20.767 27.967 1.00 17.63 O ATOM 1982 CB THR A 619 0.878 21.569 27.675 1.00 22.51 C ATOM 1983 OG1 THR A 619 0.567 20.286 28.242 1.00 18.92 O ATOM 1984 CG2 THR A 619 -0.407 22.257 27.200 1.00 21.50 C ATOM 1985 HA THR A 619 2.282 22.393 26.256 1.00 0.00 H ATOM 1986 HB THR A 619 1.342 22.192 28.440 1.00 0.00 H ATOM 1987 HG1 THR A 619 0.166 19.708 27.546 1.00 0.00 H ATOM 1988 HG23 THR A 619 -0.160 23.229 26.772 1.00 0.00 H ATOM 1989 HG21 THR A 619 -0.891 21.638 26.445 1.00 0.00 H ATOM 1990 HG22 THR A 619 -1.080 22.392 28.047 1.00 0.00 H ATOM 1991 H THR A 619 0.703 20.028 25.318 1.00 0.00 H ATOM 1992 N LYS A 620 3.274 19.425 26.215 1.00 16.64 N ATOM 1993 CA LYS A 620 4.338 18.480 26.573 1.00 21.40 C ATOM 1994 C LYS A 620 5.736 19.064 26.348 1.00 20.44 C ATOM 1995 O LYS A 620 6.050 19.530 25.265 1.00 18.78 O ATOM 1996 CB LYS A 620 4.184 17.184 25.768 1.00 23.64 C ATOM 1997 CG LYS A 620 2.940 16.391 26.105 1.00 29.11 C ATOM 1998 CD LYS A 620 2.912 15.074 25.354 1.00 37.59 C ATOM 1999 CE LYS A 620 3.930 14.093 25.899 1.00 41.94 C ATOM 2000 NZ LYS A 620 3.434 13.346 27.097 1.00 35.62 N ATOM 2001 HA LYS A 620 4.237 18.271 27.638 1.00 0.00 H ATOM 2002 HB2 LYS A 620 4.150 17.440 24.709 1.00 0.00 H ATOM 2003 HB3 LYS A 620 5.053 16.556 25.961 1.00 0.00 H ATOM 2004 HG2 LYS A 620 2.925 16.191 27.176 1.00 0.00 H ATOM 2005 HG3 LYS A 620 2.061 16.975 25.833 1.00 0.00 H ATOM 2006 HD2 LYS A 620 1.917 14.637 25.444 1.00 0.00 H ATOM 2007 HD3 LYS A 620 3.131 15.262 24.303 1.00 0.00 H ATOM 2008 HE2 LYS A 620 4.829 14.643 26.179 1.00 0.00 H ATOM 2009 HE3 LYS A 620 4.174 13.374 25.117 1.00 0.00 H ATOM 2010 HZ1 LYS A 620 3.206 14.021 27.855 1.00 0.00 H ATOM 2011 HZ2 LYS A 620 2.581 12.809 26.841 1.00 0.00 H ATOM 2012 HZ3 LYS A 620 4.172 12.691 27.425 1.00 0.00 H ATOM 2013 H LYS A 620 2.702 19.250 25.364 1.00 0.00 H ATOM 2014 N LYS A 621 6.588 19.018 27.365 1.00 21.30 N ATOM 2015 CA LYS A 621 7.940 19.558 27.234 1.00 22.94 C ATOM 2016 C LYS A 621 8.928 18.514 26.714 1.00 19.32 C ATOM 2017 O LYS A 621 8.979 17.393 27.224 1.00 17.96 O ATOM 2018 CB LYS A 621 8.439 20.106 28.580 1.00 24.36 C ATOM 2019 CG LYS A 621 7.722 21.374 29.070 1.00 24.55 C ATOM 2020 CD LYS A 621 8.293 21.853 30.414 1.00 32.90 C ATOM 2021 CE LYS A 621 7.773 23.234 30.789 1.00 32.74 C ATOM 2022 NZ LYS A 621 6.291 23.260 30.924 1.00 31.15 N ATOM 2023 HA LYS A 621 7.886 20.368 26.506 1.00 0.00 H ATOM 2024 HB2 LYS A 621 8.305 19.329 29.333 1.00 0.00 H ATOM 2025 HB3 LYS A 621 9.500 20.334 28.480 1.00 0.00 H ATOM 2026 HG2 LYS A 621 7.848 22.163 28.329 1.00 0.00 H ATOM 2027 HG3 LYS A 621 6.661 21.158 29.191 1.00 0.00 H ATOM 2028 HD2 LYS A 621 8.007 21.145 31.192 1.00 0.00 H ATOM 2029 HD3 LYS A 621 9.380 21.892 30.342 1.00 0.00 H ATOM 2030 HE2 LYS A 621 8.068 23.942 30.015 1.00 0.00 H ATOM 2031 HE3 LYS A 621 8.217 23.531 31.739 1.00 0.00 H ATOM 2032 HZ1 LYS A 621 5.857 22.986 30.020 1.00 0.00 H ATOM 2033 HZ2 LYS A 621 6.000 22.592 31.666 1.00 0.00 H ATOM 2034 HZ3 LYS A 621 5.984 24.220 31.180 1.00 0.00 H ATOM 2035 H LYS A 621 6.290 18.593 28.266 1.00 0.00 H ATOM 2036 N ASN A 622 9.717 18.879 25.705 1.00 17.57 N ATOM 2037 CA ASN A 622 10.811 18.001 25.276 1.00 18.48 C ATOM 2038 C ASN A 622 12.030 18.109 26.199 1.00 24.27 C ATOM 2039 O ASN A 622 11.969 18.765 27.242 1.00 21.94 O ATOM 2040 CB ASN A 622 11.194 18.230 23.807 1.00 21.82 C ATOM 2041 CG ASN A 622 11.756 19.620 23.538 1.00 21.01 C ATOM 2042 OD1 ASN A 622 12.159 20.345 24.457 1.00 22.01 O ATOM 2043 ND2 ASN A 622 11.804 19.991 22.258 1.00 20.23 N ATOM 2044 HA ASN A 622 10.438 16.980 25.354 1.00 0.00 H ATOM 2045 HB2 ASN A 622 11.946 17.493 23.527 1.00 0.00 H ATOM 2046 HB3 ASN A 622 10.305 18.092 23.192 1.00 0.00 H ATOM 2047 HD22 ASN A 622 11.454 19.350 21.517 1.00 0.00 H ATOM 2048 HD21 ASN A 622 12.191 20.921 22.000 1.00 0.00 H ATOM 2049 H ASN A 622 9.558 19.786 25.222 1.00 0.00 H ATOM 2050 N ARG A 623 13.127 17.457 25.813 1.00 20.02 N ATOM 2051 CA ARG A 623 14.353 17.456 26.613 1.00 23.63 C ATOM 2052 C ARG A 623 14.894 18.865 26.882 1.00 26.49 C ATOM 2053 O ARG A 623 15.603 19.088 27.866 1.00 27.40 O ATOM 2054 CB ARG A 623 15.428 16.579 25.944 1.00 24.87 C ATOM 2055 CG ARG A 623 16.721 16.439 26.731 1.00 26.60 C ATOM 2056 CD ARG A 623 17.838 15.839 25.874 1.00 26.99 C ATOM 2057 NE ARG A 623 17.657 14.411 25.621 1.00 26.24 N ATOM 2058 CZ ARG A 623 18.457 13.677 24.851 1.00 27.04 C ATOM 2059 NH1 ARG A 623 19.496 14.232 24.243 1.00 28.27 N ATOM 2060 NH2 ARG A 623 18.216 12.384 24.683 1.00 26.89 N ATOM 2061 HA ARG A 623 14.096 17.033 27.584 1.00 0.00 H ATOM 2062 HB2 ARG A 623 15.010 15.583 25.799 1.00 0.00 H ATOM 2063 HB3 ARG A 623 15.667 17.016 24.975 1.00 0.00 H ATOM 2064 HG2 ARG A 623 17.032 17.424 27.080 1.00 0.00 H ATOM 2065 HG3 ARG A 623 16.545 15.790 27.589 1.00 0.00 H ATOM 2066 HD2 ARG A 623 18.788 15.983 26.389 1.00 0.00 H ATOM 2067 HD3 ARG A 623 17.862 16.362 24.918 1.00 0.00 H ATOM 2068 HE ARG A 623 16.849 13.937 26.073 1.00 0.00 H ATOM 2069 HH12 ARG A 623 20.117 13.653 23.643 1.00 0.00 H ATOM 2070 HH11 ARG A 623 19.690 15.246 24.366 1.00 0.00 H ATOM 2071 HH22 ARG A 623 18.842 11.812 24.081 1.00 0.00 H ATOM 2072 HH21 ARG A 623 17.401 11.942 25.153 1.00 0.00 H ATOM 2073 H ARG A 623 13.111 16.932 24.915 1.00 0.00 H ATOM 2074 N ASP A 624 14.566 19.812 26.005 1.00 28.91 N ATOM 2075 CA ASP A 624 15.032 21.190 26.143 1.00 32.67 C ATOM 2076 C ASP A 624 14.092 22.038 27.007 1.00 32.38 C ATOM 2077 O ASP A 624 14.332 23.228 27.214 1.00 37.13 O ATOM 2078 CB ASP A 624 15.198 21.848 24.762 1.00 34.76 C ATOM 2079 CG ASP A 624 16.263 21.170 23.905 1.00 39.47 C ATOM 2080 OD1 ASP A 624 17.346 20.825 24.431 1.00 37.69 O ATOM 2081 OD2 ASP A 624 16.017 20.978 22.698 1.00 42.61 O ATOM 2082 HA ASP A 624 15.998 21.146 26.645 1.00 0.00 H ATOM 2083 HB2 ASP A 624 14.245 21.799 24.236 1.00 0.00 H ATOM 2084 HB3 ASP A 624 15.479 22.891 24.905 1.00 0.00 H ATOM 2085 H ASP A 624 13.960 19.563 25.197 1.00 0.00 H ATOM 2086 N GLY A 625 13.022 21.428 27.502 1.00 29.74 N ATOM 2087 CA GLY A 625 12.022 22.148 28.273 1.00 29.84 C ATOM 2088 C GLY A 625 11.007 22.888 27.414 1.00 31.03 C ATOM 2089 O GLY A 625 10.228 23.695 27.925 1.00 23.55 O ATOM 2090 HA3 GLY A 625 12.532 22.874 28.907 1.00 0.00 H ATOM 2091 HA2 GLY A 625 11.488 21.433 28.899 1.00 0.00 H ATOM 2092 H GLY A 625 12.896 20.409 27.334 1.00 0.00 H ATOM 2093 N ASN A 626 11.001 22.608 26.113 1.00 21.08 N ATOM 2094 CA ASN A 626 10.094 23.292 25.187 1.00 21.30 C ATOM 2095 C ASN A 626 8.854 22.490 24.830 1.00 18.85 C ATOM 2096 O ASN A 626 8.935 21.289 24.558 1.00 20.41 O ATOM 2097 CB ASN A 626 10.820 23.675 23.898 1.00 22.13 C ATOM 2098 CG ASN A 626 11.923 24.680 24.131 1.00 30.40 C ATOM 2099 OD1 ASN A 626 11.757 25.621 24.898 1.00 31.42 O ATOM 2100 ND2 ASN A 626 13.062 24.480 23.474 1.00 28.37 N ATOM 2101 HA ASN A 626 9.762 24.182 25.721 1.00 0.00 H ATOM 2102 HB2 ASN A 626 11.253 22.776 23.460 1.00 0.00 H ATOM 2103 HB3 ASN A 626 10.097 24.104 23.204 1.00 0.00 H ATOM 2104 HD22 ASN A 626 13.157 23.667 22.833 1.00 0.00 H ATOM 2105 HD21 ASN A 626 13.858 25.137 23.601 1.00 0.00 H ATOM 2106 H ASN A 626 11.655 21.888 25.745 1.00 0.00 H ATOM 2107 N THR A 627 7.705 23.158 24.816 1.00 16.45 N ATOM 2108 CA THR A 627 6.475 22.541 24.347 1.00 17.03 C ATOM 2109 C THR A 627 6.378 22.727 22.829 1.00 14.82 C ATOM 2110 O THR A 627 7.181 23.445 22.232 1.00 14.46 O ATOM 2111 CB THR A 627 5.260 23.215 24.976 1.00 15.34 C ATOM 2112 OG1 THR A 627 5.140 24.545 24.451 1.00 16.28 O ATOM 2113 CG2 THR A 627 5.433 23.292 26.505 1.00 16.90 C ATOM 2114 HA THR A 627 6.490 21.486 24.620 1.00 0.00 H ATOM 2115 HB THR A 627 4.366 22.636 24.744 1.00 0.00 H ATOM 2116 HG1 THR A 627 4.353 24.988 24.855 1.00 0.00 H ATOM 2117 HG23 THR A 627 5.525 22.284 26.910 1.00 0.00 H ATOM 2118 HG21 THR A 627 6.332 23.862 26.739 1.00 0.00 H ATOM 2119 HG22 THR A 627 4.564 23.784 26.943 1.00 0.00 H ATOM 2120 H THR A 627 7.685 24.143 25.148 1.00 0.00 H ATOM 2121 N PRO A 628 5.394 22.083 22.195 1.00 13.09 N ATOM 2122 CA PRO A 628 5.251 22.353 20.760 1.00 12.52 C ATOM 2123 C PRO A 628 4.950 23.827 20.497 1.00 11.36 C ATOM 2124 O PRO A 628 5.426 24.397 19.517 1.00 16.07 O ATOM 2125 CB PRO A 628 4.071 21.459 20.362 1.00 16.29 C ATOM 2126 CG PRO A 628 4.180 20.280 21.314 1.00 15.79 C ATOM 2127 CD PRO A 628 4.587 20.927 22.630 1.00 12.25 C ATOM 2128 HA PRO A 628 6.157 22.147 20.191 1.00 0.00 H ATOM 2129 HD3 PRO A 628 3.713 21.250 23.195 1.00 0.00 H ATOM 2130 HD2 PRO A 628 5.179 20.242 23.237 1.00 0.00 H ATOM 2131 HG3 PRO A 628 4.938 19.573 20.975 1.00 0.00 H ATOM 2132 HG2 PRO A 628 3.223 19.766 21.411 1.00 0.00 H ATOM 2133 HB2 PRO A 628 3.124 21.982 20.496 1.00 0.00 H ATOM 2134 HB3 PRO A 628 4.161 21.133 19.326 1.00 0.00 H ATOM 2135 N LEU A 629 4.179 24.459 21.379 1.00 14.76 N ATOM 2136 CA LEU A 629 3.862 25.872 21.183 1.00 12.72 C ATOM 2137 C LEU A 629 5.139 26.716 21.239 1.00 15.39 C ATOM 2138 O LEU A 629 5.324 27.648 20.450 1.00 17.28 O ATOM 2139 CB LEU A 629 2.822 26.342 22.200 1.00 15.45 C ATOM 2140 CG LEU A 629 2.470 27.826 22.190 1.00 19.97 C ATOM 2141 CD1 LEU A 629 1.949 28.256 20.819 1.00 18.88 C ATOM 2142 CD2 LEU A 629 1.441 28.127 23.292 1.00 20.97 C ATOM 2143 HA LEU A 629 3.424 26.000 20.193 1.00 0.00 H ATOM 2144 HB2 LEU A 629 1.904 25.784 22.015 1.00 0.00 H ATOM 2145 HB3 LEU A 629 3.199 26.099 23.193 1.00 0.00 H ATOM 2146 HG LEU A 629 3.374 28.401 22.391 1.00 0.00 H ATOM 2147 HD21 LEU A 629 0.539 27.542 23.115 1.00 0.00 H ATOM 2148 HD22 LEU A 629 1.862 27.863 24.262 1.00 0.00 H ATOM 2149 HD23 LEU A 629 1.195 29.189 23.278 1.00 0.00 H ATOM 2150 HD11 LEU A 629 2.716 28.073 20.066 1.00 0.00 H ATOM 2151 HD12 LEU A 629 1.055 27.682 20.575 1.00 0.00 H ATOM 2152 HD13 LEU A 629 1.706 29.318 20.841 1.00 0.00 H ATOM 2153 H LEU A 629 3.804 23.949 22.204 1.00 0.00 H ATOM 2154 N ASP A 630 6.034 26.367 22.157 1.00 15.46 N ATOM 2155 CA ASP A 630 7.324 27.044 22.260 1.00 20.94 C ATOM 2156 C ASP A 630 8.116 26.984 20.947 1.00 20.78 C ATOM 2157 O ASP A 630 8.856 27.918 20.615 1.00 22.24 O ATOM 2158 CB ASP A 630 8.167 26.439 23.387 1.00 21.61 C ATOM 2159 CG ASP A 630 7.643 26.785 24.771 1.00 24.79 C ATOM 2160 OD1 ASP A 630 7.075 27.888 24.961 1.00 22.66 O ATOM 2161 OD2 ASP A 630 7.825 25.952 25.682 1.00 26.75 O ATOM 2162 HA ASP A 630 7.111 28.090 22.482 1.00 0.00 H ATOM 2163 HB2 ASP A 630 8.168 25.355 23.277 1.00 0.00 H ATOM 2164 HB3 ASP A 630 9.187 26.813 23.298 1.00 0.00 H ATOM 2165 H ASP A 630 5.811 25.595 22.817 1.00 0.00 H ATOM 2166 N LEU A 631 7.953 25.890 20.206 1.00 16.91 N ATOM 2167 CA LEU A 631 8.743 25.639 18.995 1.00 19.39 C ATOM 2168 C LEU A 631 8.151 26.274 17.743 1.00 22.21 C ATOM 2169 O LEU A 631 8.746 26.210 16.668 1.00 22.11 O ATOM 2170 CB LEU A 631 8.901 24.129 18.761 1.00 14.30 C ATOM 2171 CG LEU A 631 9.637 23.340 19.843 1.00 18.17 C ATOM 2172 CD1 LEU A 631 9.875 21.919 19.373 1.00 23.08 C ATOM 2173 CD2 LEU A 631 10.957 24.017 20.182 1.00 20.82 C ATOM 2174 HA LEU A 631 9.713 26.104 19.170 1.00 0.00 H ATOM 2175 HB2 LEU A 631 7.902 23.703 18.663 1.00 0.00 H ATOM 2176 HB3 LEU A 631 9.445 23.995 17.826 1.00 0.00 H ATOM 2177 HG LEU A 631 9.023 23.313 20.743 1.00 0.00 H ATOM 2178 HD21 LEU A 631 11.580 24.064 19.289 1.00 0.00 H ATOM 2179 HD22 LEU A 631 10.763 25.026 20.545 1.00 0.00 H ATOM 2180 HD23 LEU A 631 11.470 23.444 20.954 1.00 0.00 H ATOM 2181 HD11 LEU A 631 8.918 21.441 19.167 1.00 0.00 H ATOM 2182 HD12 LEU A 631 10.478 21.934 18.465 1.00 0.00 H ATOM 2183 HD13 LEU A 631 10.400 21.364 20.150 1.00 0.00 H ATOM 2184 H LEU A 631 7.241 25.189 20.495 1.00 0.00 H ATOM 2185 N VAL A 632 6.971 26.868 17.875 1.00 25.79 N ATOM 2186 CA VAL A 632 6.343 27.536 16.744 1.00 28.08 C ATOM 2187 C VAL A 632 7.068 28.851 16.482 1.00 33.32 C ATOM 2188 O VAL A 632 7.312 29.633 17.407 1.00 38.09 O ATOM 2189 CB VAL A 632 4.868 27.874 17.002 1.00 21.64 C ATOM 2190 CG1 VAL A 632 4.278 28.528 15.763 1.00 22.47 C ATOM 2191 CG2 VAL A 632 4.078 26.649 17.386 1.00 17.51 C ATOM 2192 HA VAL A 632 6.402 26.852 15.897 1.00 0.00 H ATOM 2193 HB VAL A 632 4.812 28.568 17.841 1.00 0.00 H ATOM 2194 HG11 VAL A 632 4.828 29.442 15.539 1.00 0.00 H ATOM 2195 HG12 VAL A 632 4.353 27.841 14.920 1.00 0.00 H ATOM 2196 HG13 VAL A 632 3.231 28.769 15.945 1.00 0.00 H ATOM 2197 HG21 VAL A 632 4.128 25.918 16.579 1.00 0.00 H ATOM 2198 HG22 VAL A 632 4.497 26.218 18.295 1.00 0.00 H ATOM 2199 HG23 VAL A 632 3.039 26.928 17.561 1.00 0.00 H ATOM 2200 H VAL A 632 6.490 26.856 18.797 1.00 0.00 H ATOM 2201 N LYS A 633 7.402 29.097 15.221 1.00 23.49 N ATOM 2202 CA LYS A 633 8.091 30.330 14.823 1.00 36.22 C ATOM 2203 C LYS A 633 7.224 31.600 14.938 1.00 35.11 C ATOM 2204 O LYS A 633 5.997 31.544 14.864 1.00 37.49 O ATOM 2205 CB LYS A 633 8.675 30.181 13.410 1.00 39.41 C ATOM 2206 CG LYS A 633 7.663 29.752 12.363 1.00 43.19 C ATOM 2207 CD LYS A 633 8.341 29.155 11.126 1.00 52.67 C ATOM 2208 CE LYS A 633 8.868 27.747 11.408 1.00 51.69 C ATOM 2209 NZ LYS A 633 9.321 27.051 10.170 1.00 54.42 N ATOM 2210 HA LYS A 633 8.902 30.471 15.537 1.00 0.00 H ATOM 2211 HB2 LYS A 633 9.093 31.142 13.109 1.00 0.00 H ATOM 2212 HB3 LYS A 633 9.469 29.435 13.444 1.00 0.00 H ATOM 2213 HG2 LYS A 633 7.001 29.004 12.798 1.00 0.00 H ATOM 2214 HG3 LYS A 633 7.078 30.621 12.060 1.00 0.00 H ATOM 2215 HD2 LYS A 633 7.618 29.108 10.312 1.00 0.00 H ATOM 2216 HD3 LYS A 633 9.174 29.794 10.833 1.00 0.00 H ATOM 2217 HE2 LYS A 633 8.073 27.161 11.868 1.00 0.00 H ATOM 2218 HE3 LYS A 633 9.709 27.819 12.097 1.00 0.00 H ATOM 2219 HZ1 LYS A 633 8.523 26.969 9.508 1.00 0.00 H ATOM 2220 HZ2 LYS A 633 10.086 27.598 9.726 1.00 0.00 H ATOM 2221 HZ3 LYS A 633 9.669 26.102 10.415 1.00 0.00 H ATOM 2222 H LYS A 633 7.168 28.393 14.492 1.00 0.00 H ATOM 2223 N ASP A 634 7.882 32.741 15.115 1.00 35.26 N ATOM 2224 CA ASP A 634 7.211 34.011 15.414 1.00 46.35 C ATOM 2225 C ASP A 634 6.063 34.381 14.474 1.00 52.47 C ATOM 2226 O ASP A 634 5.021 34.876 14.917 1.00 56.31 O ATOM 2227 CB ASP A 634 8.225 35.160 15.437 1.00 56.89 C ATOM 2228 CG ASP A 634 9.145 35.106 16.641 1.00 61.74 C ATOM 2229 OD1 ASP A 634 8.806 34.406 17.618 1.00 57.88 O ATOM 2230 OD2 ASP A 634 10.202 35.776 16.614 1.00 68.47 O ATOM 2231 HA ASP A 634 6.761 33.857 16.395 1.00 0.00 H ATOM 2232 HB2 ASP A 634 8.831 35.109 14.532 1.00 0.00 H ATOM 2233 HB3 ASP A 634 7.681 36.105 15.455 1.00 0.00 H ATOM 2234 H ASP A 634 8.919 32.733 15.038 1.00 0.00 H ATOM 2235 N GLY A 635 6.261 34.161 13.178 1.00 46.83 N ATOM 2236 CA GLY A 635 5.284 34.577 12.189 1.00 49.29 C ATOM 2237 C GLY A 635 4.178 33.573 11.923 1.00 43.91 C ATOM 2238 O GLY A 635 3.230 33.866 11.188 1.00 49.96 O ATOM 2239 HA3 GLY A 635 5.808 34.761 11.251 1.00 0.00 H ATOM 2240 HA2 GLY A 635 4.825 35.503 12.535 1.00 0.00 H ATOM 2241 H GLY A 635 7.131 33.683 12.868 1.00 0.00 H ATOM 2242 N ASP A 636 4.287 32.381 12.504 1.00 37.60 N ATOM 2243 CA ASP A 636 3.246 31.387 12.307 1.00 30.62 C ATOM 2244 C ASP A 636 2.160 31.569 13.342 1.00 25.68 C ATOM 2245 O ASP A 636 1.961 30.727 14.205 1.00 22.27 O ATOM 2246 CB ASP A 636 3.802 29.975 12.363 1.00 26.89 C ATOM 2247 CG ASP A 636 3.972 29.372 10.996 1.00 42.17 C ATOM 2248 OD1 ASP A 636 3.141 29.671 10.110 1.00 43.22 O ATOM 2249 OD2 ASP A 636 4.940 28.602 10.810 1.00 50.47 O ATOM 2250 HA ASP A 636 2.824 31.532 11.313 1.00 0.00 H ATOM 2251 HB2 ASP A 636 4.773 30.000 12.858 1.00 0.00 H ATOM 2252 HB3 ASP A 636 3.118 29.351 12.938 1.00 0.00 H ATOM 2253 H ASP A 636 5.113 32.162 13.096 1.00 0.00 H ATOM 2254 N THR A 637 1.451 32.680 13.236 1.00 22.69 N ATOM 2255 CA THR A 637 0.444 33.019 14.233 1.00 21.42 C ATOM 2256 C THR A 637 -0.779 32.107 14.116 1.00 21.25 C ATOM 2257 O THR A 637 -1.533 31.956 15.075 1.00 22.27 O ATOM 2258 CB THR A 637 0.024 34.505 14.128 1.00 27.56 C ATOM 2259 OG1 THR A 637 -0.269 34.811 12.767 1.00 26.61 O ATOM 2260 CG2 THR A 637 1.147 35.418 14.592 1.00 34.75 C ATOM 2261 HA THR A 637 0.893 32.863 15.214 1.00 0.00 H ATOM 2262 HB THR A 637 -0.850 34.662 14.760 1.00 0.00 H ATOM 2263 HG1 THR A 637 -0.538 35.761 12.694 1.00 0.00 H ATOM 2264 HG23 THR A 637 1.386 35.198 15.633 1.00 0.00 H ATOM 2265 HG21 THR A 637 2.028 35.251 13.973 1.00 0.00 H ATOM 2266 HG22 THR A 637 0.830 36.457 14.502 1.00 0.00 H ATOM 2267 H THR A 637 1.614 33.319 12.432 1.00 0.00 H ATOM 2268 N ASP A 638 -0.977 31.488 12.950 1.00 21.25 N ATOM 2269 CA ASP A 638 -2.090 30.554 12.789 1.00 20.88 C ATOM 2270 C ASP A 638 -1.838 29.270 13.572 1.00 16.96 C ATOM 2271 O ASP A 638 -2.736 28.739 14.224 1.00 16.52 O ATOM 2272 CB ASP A 638 -2.342 30.221 11.311 1.00 21.56 C ATOM 2273 CG ASP A 638 -2.775 31.436 10.508 1.00 33.30 C ATOM 2274 OD1 ASP A 638 -3.874 31.966 10.777 1.00 33.45 O ATOM 2275 OD2 ASP A 638 -2.018 31.858 9.607 1.00 41.10 O ATOM 2276 HA ASP A 638 -2.980 31.044 13.184 1.00 0.00 H ATOM 2277 HB2 ASP A 638 -1.422 29.826 10.879 1.00 0.00 H ATOM 2278 HB3 ASP A 638 -3.125 29.465 11.251 1.00 0.00 H ATOM 2279 H ASP A 638 -0.336 31.671 12.152 1.00 0.00 H ATOM 2280 N ILE A 639 -0.617 28.757 13.481 1.00 14.26 N ATOM 2281 CA ILE A 639 -0.248 27.564 14.228 1.00 17.83 C ATOM 2282 C ILE A 639 -0.244 27.871 15.728 1.00 14.96 C ATOM 2283 O ILE A 639 -0.691 27.055 16.539 1.00 12.70 O ATOM 2284 CB ILE A 639 1.111 27.020 13.765 1.00 15.40 C ATOM 2285 CG1 ILE A 639 1.011 26.559 12.299 1.00 20.93 C ATOM 2286 CG2 ILE A 639 1.588 25.900 14.677 1.00 16.91 C ATOM 2287 CD1 ILE A 639 2.295 25.991 11.747 1.00 19.37 C ATOM 2288 HA ILE A 639 -0.988 26.787 14.036 1.00 0.00 H ATOM 2289 HB ILE A 639 1.854 27.815 13.824 1.00 0.00 H ATOM 2290 HG12 ILE A 639 0.240 25.792 12.232 1.00 0.00 H ATOM 2291 HG13 ILE A 639 0.724 27.415 11.689 1.00 0.00 H ATOM 2292 HD11 ILE A 639 3.076 26.750 11.794 1.00 0.00 H ATOM 2293 HD12 ILE A 639 2.591 25.125 12.338 1.00 0.00 H ATOM 2294 HD13 ILE A 639 2.142 25.690 10.711 1.00 0.00 H ATOM 2295 HG21 ILE A 639 1.690 26.280 15.694 1.00 0.00 H ATOM 2296 HG22 ILE A 639 0.862 25.087 14.663 1.00 0.00 H ATOM 2297 HG23 ILE A 639 2.553 25.533 14.326 1.00 0.00 H ATOM 2298 H ILE A 639 0.086 29.215 12.867 1.00 0.00 H ATOM 2299 N GLN A 640 0.255 29.046 16.101 1.00 14.06 N ATOM 2300 CA GLN A 640 0.167 29.485 17.500 1.00 12.62 C ATOM 2301 C GLN A 640 -1.279 29.455 17.992 1.00 14.96 C ATOM 2302 O GLN A 640 -1.579 28.897 19.054 1.00 15.96 O ATOM 2303 CB GLN A 640 0.714 30.902 17.652 1.00 16.84 C ATOM 2304 CG GLN A 640 2.204 31.017 17.376 1.00 19.60 C ATOM 2305 CD GLN A 640 2.673 32.465 17.395 1.00 28.47 C ATOM 2306 OE1 GLN A 640 1.881 33.376 17.621 1.00 26.03 O ATOM 2307 NE2 GLN A 640 3.958 32.681 17.144 1.00 39.58 N ATOM 2308 HA GLN A 640 0.763 28.797 18.099 1.00 0.00 H ATOM 2309 HB2 GLN A 640 0.184 31.552 16.956 1.00 0.00 H ATOM 2310 HB3 GLN A 640 0.526 31.235 18.673 1.00 0.00 H ATOM 2311 HG2 GLN A 640 2.748 30.460 18.138 1.00 0.00 H ATOM 2312 HG3 GLN A 640 2.415 30.590 16.395 1.00 0.00 H ATOM 2313 HE22 GLN A 640 4.593 31.879 16.958 1.00 0.00 H ATOM 2314 HE21 GLN A 640 4.330 33.652 17.133 1.00 0.00 H ATOM 2315 H GLN A 640 0.711 29.659 15.396 1.00 0.00 H ATOM 2316 N ASP A 641 -2.175 30.075 17.228 1.00 20.10 N ATOM 2317 CA ASP A 641 -3.589 30.113 17.592 1.00 21.41 C ATOM 2318 C ASP A 641 -4.088 28.696 17.846 1.00 16.86 C ATOM 2319 O ASP A 641 -4.793 28.429 18.817 1.00 18.04 O ATOM 2320 CB ASP A 641 -4.432 30.722 16.461 1.00 24.34 C ATOM 2321 CG ASP A 641 -4.251 32.223 16.320 1.00 25.88 C ATOM 2322 OD1 ASP A 641 -4.643 32.760 15.260 1.00 27.89 O ATOM 2323 OD2 ASP A 641 -3.729 32.868 17.255 1.00 22.80 O ATOM 2324 HA ASP A 641 -3.690 30.726 18.488 1.00 0.00 H ATOM 2325 HB2 ASP A 641 -4.145 30.249 15.522 1.00 0.00 H ATOM 2326 HB3 ASP A 641 -5.483 30.517 16.664 1.00 0.00 H ATOM 2327 H ASP A 641 -1.862 30.542 16.353 1.00 0.00 H ATOM 2328 N LEU A 642 -3.720 27.803 16.943 1.00 15.64 N ATOM 2329 CA LEU A 642 -4.153 26.413 16.978 1.00 20.38 C ATOM 2330 C LEU A 642 -3.688 25.729 18.266 1.00 19.35 C ATOM 2331 O LEU A 642 -4.488 25.146 18.999 1.00 16.99 O ATOM 2332 CB LEU A 642 -3.572 25.696 15.760 1.00 23.09 C ATOM 2333 CG LEU A 642 -4.193 24.437 15.180 1.00 27.64 C ATOM 2334 CD1 LEU A 642 -5.677 24.627 14.895 1.00 21.36 C ATOM 2335 CD2 LEU A 642 -3.436 24.072 13.913 1.00 26.54 C ATOM 2336 HA LEU A 642 -5.242 26.370 16.955 1.00 0.00 H ATOM 2337 HB2 LEU A 642 -3.563 26.429 14.953 1.00 0.00 H ATOM 2338 HB3 LEU A 642 -2.547 25.435 16.023 1.00 0.00 H ATOM 2339 HG LEU A 642 -4.116 23.627 15.905 1.00 0.00 H ATOM 2340 HD21 LEU A 642 -3.512 24.891 13.197 1.00 0.00 H ATOM 2341 HD22 LEU A 642 -2.388 23.895 14.156 1.00 0.00 H ATOM 2342 HD23 LEU A 642 -3.867 23.169 13.481 1.00 0.00 H ATOM 2343 HD11 LEU A 642 -6.195 24.873 15.822 1.00 0.00 H ATOM 2344 HD12 LEU A 642 -5.807 25.438 14.179 1.00 0.00 H ATOM 2345 HD13 LEU A 642 -6.087 23.706 14.481 1.00 0.00 H ATOM 2346 H LEU A 642 -3.092 28.107 16.172 1.00 0.00 H ATOM 2347 N LEU A 643 -2.390 25.813 18.545 1.00 15.56 N ATOM 2348 CA LEU A 643 -1.822 25.132 19.711 1.00 16.56 C ATOM 2349 C LEU A 643 -2.209 25.794 21.036 1.00 19.27 C ATOM 2350 O LEU A 643 -2.280 25.129 22.066 1.00 21.99 O ATOM 2351 CB LEU A 643 -0.291 24.994 19.587 1.00 18.00 C ATOM 2352 CG LEU A 643 0.243 23.842 18.722 1.00 19.35 C ATOM 2353 CD1 LEU A 643 -0.240 23.929 17.288 1.00 21.80 C ATOM 2354 CD2 LEU A 643 1.758 23.834 18.750 1.00 24.35 C ATOM 2355 HA LEU A 643 -2.258 24.133 19.724 1.00 0.00 H ATOM 2356 HB2 LEU A 643 0.089 25.924 19.165 1.00 0.00 H ATOM 2357 HB3 LEU A 643 0.109 24.862 20.592 1.00 0.00 H ATOM 2358 HG LEU A 643 -0.143 22.914 19.144 1.00 0.00 H ATOM 2359 HD21 LEU A 643 2.132 24.780 18.360 1.00 0.00 H ATOM 2360 HD22 LEU A 643 2.100 23.702 19.776 1.00 0.00 H ATOM 2361 HD23 LEU A 643 2.127 23.014 18.134 1.00 0.00 H ATOM 2362 HD11 LEU A 643 -1.329 23.889 17.270 1.00 0.00 H ATOM 2363 HD12 LEU A 643 0.098 24.867 16.848 1.00 0.00 H ATOM 2364 HD13 LEU A 643 0.165 23.093 16.718 1.00 0.00 H ATOM 2365 H LEU A 643 -1.769 26.371 17.925 1.00 0.00 H ATOM 2366 N ARG A 644 -2.465 27.098 21.000 1.00 16.59 N ATOM 2367 CA ARG A 644 -2.835 27.838 22.202 1.00 14.93 C ATOM 2368 C ARG A 644 -4.259 27.475 22.607 1.00 18.25 C ATOM 2369 O ARG A 644 -4.602 27.485 23.789 1.00 19.51 O ATOM 2370 CB ARG A 644 -2.696 29.346 21.957 1.00 18.15 C ATOM 2371 CG ARG A 644 -2.743 30.198 23.203 1.00 22.43 C ATOM 2372 CD ARG A 644 -2.523 31.679 22.894 1.00 21.11 C ATOM 2373 NE ARG A 644 -3.494 32.175 21.927 1.00 21.94 N ATOM 2374 CZ ARG A 644 -3.195 32.529 20.682 1.00 24.44 C ATOM 2375 NH1 ARG A 644 -1.941 32.459 20.256 1.00 21.41 N ATOM 2376 NH2 ARG A 644 -4.150 32.969 19.869 1.00 22.38 N ATOM 2377 HA ARG A 644 -2.164 27.568 23.018 1.00 0.00 H ATOM 2378 HB2 ARG A 644 -1.741 29.523 21.461 1.00 0.00 H ATOM 2379 HB3 ARG A 644 -3.508 29.659 21.301 1.00 0.00 H ATOM 2380 HG2 ARG A 644 -3.718 30.078 23.675 1.00 0.00 H ATOM 2381 HG3 ARG A 644 -1.965 29.862 23.889 1.00 0.00 H ATOM 2382 HD2 ARG A 644 -1.520 31.811 22.488 1.00 0.00 H ATOM 2383 HD3 ARG A 644 -2.618 32.251 23.817 1.00 0.00 H ATOM 2384 HE ARG A 644 -4.485 32.257 22.231 1.00 0.00 H ATOM 2385 HH12 ARG A 644 -1.707 32.736 19.281 1.00 0.00 H ATOM 2386 HH11 ARG A 644 -1.192 32.127 20.897 1.00 0.00 H ATOM 2387 HH22 ARG A 644 -3.916 33.246 18.894 1.00 0.00 H ATOM 2388 HH21 ARG A 644 -5.131 33.036 20.208 1.00 0.00 H ATOM 2389 H ARG A 644 -2.400 27.603 20.093 1.00 0.00 H ATOM 2390 N GLY A 645 -5.088 27.154 21.616 1.00 18.84 N ATOM 2391 CA GLY A 645 -6.470 26.779 21.870 1.00 18.43 C ATOM 2392 C GLY A 645 -7.298 27.762 22.675 1.00 24.15 C ATOM 2393 O GLY A 645 -7.898 27.379 23.681 1.00 24.42 O ATOM 2394 HA3 GLY A 645 -6.463 25.831 22.409 1.00 0.00 H ATOM 2395 HA2 GLY A 645 -6.960 26.644 20.906 1.00 0.00 H ATOM 2396 H GLY A 645 -4.739 27.172 20.637 1.00 0.00 H ATOM 2397 N ASP A 646 -7.340 29.026 22.253 1.00 20.48 N ATOM 2398 CA ASP A 646 -8.243 29.988 22.880 1.00 20.40 C ATOM 2399 C ASP A 646 -9.655 29.394 22.926 1.00 26.67 C ATOM 2400 O ASP A 646 -10.053 28.646 22.026 1.00 25.54 O ATOM 2401 CB ASP A 646 -8.291 31.310 22.104 1.00 21.26 C ATOM 2402 CG ASP A 646 -6.987 32.074 22.160 1.00 28.13 C ATOM 2403 OD1 ASP A 646 -6.127 31.747 23.005 1.00 26.78 O ATOM 2404 OD2 ASP A 646 -6.833 33.015 21.363 1.00 26.41 O ATOM 2405 HA ASP A 646 -7.872 30.192 23.884 1.00 0.00 H ATOM 2406 HB2 ASP A 646 -8.523 31.093 21.061 1.00 0.00 H ATOM 2407 HB3 ASP A 646 -9.078 31.934 22.528 1.00 0.00 H ATOM 2408 H ASP A 646 -6.725 29.330 21.471 1.00 0.00 H ATOM 2409 N ALA A 647 -10.406 29.725 23.967 1.00 20.53 N ATOM 2410 CA ALA A 647 -11.758 29.182 24.126 1.00 25.06 C ATOM 2411 C ALA A 647 -12.595 29.422 22.870 1.00 35.52 C ATOM 2412 O ALA A 647 -12.565 30.512 22.291 1.00 35.53 O ATOM 2413 CB ALA A 647 -12.441 29.788 25.345 1.00 25.02 C ATOM 2414 HA ALA A 647 -11.672 28.106 24.277 1.00 0.00 H ATOM 2415 HB1 ALA A 647 -11.860 29.556 26.238 1.00 0.00 H ATOM 2416 HB2 ALA A 647 -12.507 30.869 25.223 1.00 0.00 H ATOM 2417 HB3 ALA A 647 -13.443 29.371 25.443 1.00 0.00 H ATOM 2418 H ALA A 647 -10.030 30.380 24.682 1.00 0.00 H ATOM 2419 N ALA A 648 -13.348 28.405 22.459 1.00 38.98 N ATOM 2420 CA ALA A 648 -14.171 28.505 21.258 1.00 45.13 C ATOM 2421 C ALA A 648 -15.300 27.475 21.255 1.00 47.95 C ATOM 2422 O ALA A 648 -15.909 27.207 22.290 1.00 48.38 O ATOM 2423 CB ALA A 648 -13.309 28.356 20.011 1.00 41.51 C ATOM 2424 HA ALA A 648 -14.631 29.493 21.255 1.00 0.00 H ATOM 2425 HB1 ALA A 648 -12.557 29.145 19.994 1.00 0.00 H ATOM 2426 HB2 ALA A 648 -12.817 27.384 20.025 1.00 0.00 H ATOM 2427 HB3 ALA A 648 -13.938 28.433 19.124 1.00 0.00 H ATOM 2428 H ALA A 648 -13.350 27.520 23.005 1.00 0.00 H TER 2429 ALA A 648 HETATM 2430 O HOH 1 2.345 16.247 21.896 1.00 16.06 O HETATM 2431 O HOH 2 6.158 3.341 19.687 1.00 15.93 O HETATM 2432 O HOH 3 1.163 24.994 25.298 1.00 20.49 O HETATM 2433 O HOH 4 3.602 6.175 13.980 1.00 17.19 O HETATM 2434 O HOH 5 0.440 20.973 7.084 1.00 19.99 O HETATM 2435 O HOH 6 -1.633 25.351 24.839 1.00 16.99 O HETATM 2436 O HOH 7 7.379 -1.277 7.918 1.00 20.01 O HETATM 2437 O HOH 8 2.887 16.486 1.443 1.00 24.78 O HETATM 2438 O HOH 9 0.455 12.616 2.491 1.00 17.69 O HETATM 2439 O HOH 10 -1.536 10.019 22.223 1.00 15.36 O HETATM 2440 O HOH 11 3.716 4.376 19.298 1.00 22.44 O HETATM 2441 O HOH 12 6.993 -0.296 10.593 1.00 20.06 O HETATM 2442 O HOH 13 3.546 5.049 -3.004 1.00 27.33 O HETATM 2443 O HOH 14 13.306 6.735 10.254 1.00 21.46 O HETATM 2444 O HOH 15 17.457 4.439 8.070 1.00 34.29 O HETATM 2445 O HOH 16 2.759 6.535 16.984 1.00 22.20 O HETATM 2446 O HOH 17 -4.626 6.540 16.539 1.00 26.17 O HETATM 2447 O HOH 18 13.718 22.238 21.435 1.00 24.33 O HETATM 2448 O HOH 19 0.739 -1.382 13.253 1.00 24.82 O HETATM 2449 O HOH 20 -2.908 27.441 25.912 1.00 18.76 O HETATM 2450 O HOH 21 9.215 6.858 20.407 1.00 29.32 O HETATM 2451 O HOH 22 -1.754 -0.180 16.291 1.00 26.99 O HETATM 2452 O HOH 23 10.675 -0.295 17.967 1.00 28.04 O HETATM 2453 O HOH 24 7.422 15.025 25.341 1.00 25.10 O HETATM 2454 O HOH 25 14.088 -2.318 -4.893 1.00 21.60 O HETATM 2455 O HOH 26 -3.087 8.739 19.867 1.00 30.27 O HETATM 2456 O HOH 27 -3.454 2.533 19.162 1.00 26.04 O HETATM 2457 O HOH 28 -3.906 -0.042 18.050 1.00 23.33 O HETATM 2458 O HOH 29 0.030 19.108 5.219 1.00 24.12 O HETATM 2459 O HOH 30 -5.624 18.182 21.506 1.00 27.27 O HETATM 2460 O HOH 31 -0.884 33.995 17.670 1.00 28.45 O HETATM 2461 O HOH 32 14.418 22.733 19.024 1.00 30.59 O HETATM 2462 O HOH 33 15.604 -10.923 -3.810 1.00 34.28 O HETATM 2463 O HOH 34 -0.515 -2.970 10.325 1.00 29.82 O HETATM 2464 O HOH 35 2.058 14.945 19.227 1.00 33.69 O HETATM 2465 O HOH 36 0.114 16.806 2.234 1.00 29.94 O HETATM 2466 O HOH 37 -7.457 18.012 10.171 1.00 35.60 O HETATM 2467 O HOH 38 5.176 9.926 -3.776 1.00 36.76 O HETATM 2468 O HOH 39 -0.960 14.408 27.673 1.00 34.29 O HETATM 2469 O HOH 40 -6.408 30.092 19.853 1.00 31.01 O HETATM 2470 O HOH 41 -10.027 19.566 9.788 1.00 43.86 O HETATM 2471 O HOH 42 4.863 -11.539 -0.950 1.00 38.24 O HETATM 2472 O HOH 43 1.461 7.333 -3.667 1.00 34.69 O HETATM 2473 O HOH 44 8.354 -3.881 14.498 1.00 41.34 O HETATM 2474 O HOH 45 0.803 17.130 29.763 1.00 39.02 O HETATM 2475 O HOH 46 3.593 21.123 3.757 1.00 43.15 O HETATM 2476 O HOH 47 11.261 25.906 16.345 1.00 32.89 O HETATM 2477 O HOH 48 -8.981 14.531 7.722 1.00 38.54 O HETATM 2478 O HOH 49 14.533 19.015 10.928 1.00 40.05 O HETATM 2479 O HOH 50 6.177 24.563 6.025 1.00 39.59 O HETATM 2480 O HOH 51 10.743 -12.400 3.110 1.00 35.00 O HETATM 2481 O HOH 52 4.533 7.277 -4.605 1.00 37.54 O HETATM 2482 O HOH 53 -5.864 31.184 12.899 1.00 42.96 O HETATM 2483 O HOH 54 -1.405 0.470 -2.114 1.00 36.92 O HETATM 2484 O HOH 55 -7.023 24.416 18.744 1.00 32.87 O HETATM 2485 O HOH 56 11.216 -10.450 0.811 1.00 40.59 O HETATM 2486 O HOH 57 -10.548 25.608 22.619 1.00 37.70 O HETATM 2487 O HOH 58 18.153 -11.818 -0.037 1.00 40.30 O HETATM 2488 O HOH 59 16.848 18.731 21.027 1.00 41.52 O HETATM 2489 O HOH 60 12.622 22.948 16.796 1.00 39.39 O HETATM 2490 O HOH 61 19.095 4.101 3.484 1.00 39.05 O HETATM 2491 O HOH 62 -5.047 23.091 21.721 1.00 35.02 O HETATM 2492 O HOH 63 0.490 12.458 26.735 1.00 42.09 O HETATM 2493 O HOH 64 13.583 18.282 8.722 1.00 32.15 O HETATM 2494 O HOH 65 -5.891 21.176 22.703 1.00 46.28 O HETATM 2495 O HOH 66 -2.272 -5.752 8.564 1.00 46.44 O HETATM 2496 O HOH 67 7.471 15.108 28.358 1.00 47.54 O HETATM 2497 O HOH 68 -9.294 18.336 20.002 1.00 37.94 O HETATM 2498 O HOH 69 13.353 -12.220 -3.464 1.00 43.45 O HETATM 2499 O HOH 70 -6.517 32.883 10.124 1.00 43.38 O HETATM 2500 O HOH 71 3.349 26.082 26.019 1.00 17.26 O HETATM 2501 O HOH 72 5.832 18.174 30.085 1.00 35.11 O HETATM 2502 O HOH 73 -3.837 23.780 26.063 1.00 32.94 O HETATM 2503 O HOH 74 -0.621 23.455 6.068 1.00 40.38 O HETATM 2504 O HOH 75 -4.612 21.239 25.376 1.00 35.31 O HETATM 2505 O HOH 76 6.779 -2.243 18.086 1.00 40.34 O HETATM 2506 O HOH 77 15.028 3.665 -3.437 1.00 40.36 O HETATM 2507 O HOH 78 0.240 31.779 9.492 1.00 42.10 O HETATM 2508 O HOH 79 -3.077 -9.078 -0.200 1.00 45.32 O HETATM 2509 O HOH 80 8.945 -8.423 9.836 1.00 43.73 O HETATM 2510 O HOH 81 5.998 1.902 22.226 1.00 39.20 O HETATM 2511 O HOH 82 2.060 -2.931 15.626 1.00 51.40 O HETATM 2512 O HOH 83 17.317 -5.373 -7.821 1.00 48.69 O HETATM 2513 O HOH 84 1.400 13.264 29.898 1.00 54.77 O HETATM 2514 O HOH 85 -3.009 13.338 29.239 1.00 46.71 O HETATM 2515 O HOH 86 13.609 -6.379 -7.539 1.00 46.41 O HETATM 2516 O HOH 87 16.709 -6.290 10.060 1.00 46.51 O HETATM 2517 O HOH 88 15.394 3.522 20.247 1.00 49.48 O HETATM 2518 O HOH 89 5.238 11.860 25.204 1.00 25.17 O HETATM 2519 O HOH 90 11.167 9.748 25.252 1.00 34.20 O HETATM 2520 O HOH 91 6.483 27.146 13.185 1.00 33.41 O HETATM 2521 O HOH 92 -8.487 27.834 18.196 1.00 56.58 O HETATM 2522 O HOH 93 -6.296 28.482 13.591 1.00 50.92 O HETATM 2523 O HOH 94 12.044 19.238 30.945 1.00 47.66 O HETATM 2524 O HOH 95 10.881 -4.120 13.443 1.00 34.70 O HETATM 2525 O HOH 96 19.343 8.766 14.952 1.00 34.64 O HETATM 2526 O HOH 97 13.618 9.557 10.899 1.00 28.25 O HETATM 2527 O HOH 98 14.699 16.315 3.451 1.00 26.05 O HETATM 2528 O HOH 99 15.581 12.651 14.182 1.00 36.47 O HETATM 2529 O HOH 100 -1.419 14.567 1.694 1.00 25.44 O HETATM 2530 O HOH 101 10.878 20.349 5.345 1.00 28.86 O HETATM 2531 O HOH 102 15.931 12.395 4.334 1.00 37.26 O HETATM 2532 O HOH 103 1.749 10.077 -3.197 1.00 44.11 O HETATM 2533 O HOH 104 23.595 13.554 16.003 1.00 31.76 O HETATM 2534 O HOH 105 19.337 18.651 19.205 1.00 41.51 O HETATM 2535 O HOH 106 16.999 13.404 6.518 1.00 41.75 O HETATM 2536 O HOH 107 15.195 18.412 15.557 1.00 34.85 O HETATM 2537 O HOH 108 22.842 10.653 16.269 1.00 50.68 O HETATM 2538 O HOH 109 23.071 14.906 13.809 1.00 39.46 O HETATM 2539 N VAL A 110 24.547 15.017 22.156 1.00 0.24 N HETATM 2540 CA VAL A 110 24.195 14.467 20.841 1.00 0.07 C HETATM 2541 C VAL A 110 22.971 15.175 20.246 1.00 0.23 C HETATM 2542 O VAL A 110 21.903 15.226 20.856 1.00 -0.39 O HETATM 2543 N VAL A 110 23.146 15.725 19.050 1.00 -0.26 N HETATM 2544 CA VAL A 110 22.117 16.553 18.445 1.00 0.13 C HETATM 2545 C VAL A 110 21.079 15.656 17.799 1.00 0.20 C HETATM 2546 O VAL A 110 21.380 14.532 17.372 1.00 -0.39 O HETATM 2547 N VAL A 110 19.845 16.142 17.763 1.00 -0.26 N HETATM 2548 CA VAL A 110 18.758 15.411 17.125 1.00 0.13 C HETATM 2549 C VAL A 110 18.822 15.676 15.628 1.00 0.21 C HETATM 2550 O VAL A 110 18.776 16.821 15.210 1.00 -0.39 O HETATM 2551 N VAL A 110 18.943 14.615 14.816 1.00 -0.25 N HETATM 2552 CA VAL A 110 19.016 14.842 13.367 1.00 0.13 C HETATM 2553 C VAL A 110 17.641 15.094 12.751 1.00 0.21 C HETATM 2554 O VAL A 110 16.627 14.723 13.337 1.00 -0.39 O HETATM 2555 N VAL A 110 17.602 15.738 11.581 1.00 -0.25 N HETATM 2556 CA VAL A 110 16.303 15.865 10.915 1.00 0.13 C HETATM 2557 C VAL A 110 15.730 14.474 10.635 1.00 0.21 C HETATM 2558 O VAL A 110 16.488 13.570 10.296 1.00 -0.39 O HETATM 2559 N VAL A 110 14.406 14.299 10.789 1.00 -0.25 N HETATM 2560 CA VAL A 110 13.810 12.996 10.475 1.00 0.13 C HETATM 2561 C VAL A 110 14.037 12.635 9.025 1.00 0.20 C HETATM 2562 O VAL A 110 14.199 13.513 8.181 1.00 -0.39 O HETATM 2563 N VAL A 110 14.053 11.340 8.745 1.00 -0.26 N HETATM 2564 CA VAL A 110 14.172 10.857 7.387 1.00 0.13 C HETATM 2565 C VAL A 110 12.916 11.198 6.592 1.00 0.20 C HETATM 2566 O VAL A 110 11.804 10.967 7.046 1.00 -0.39 O HETATM 2567 N VAL A 110 13.108 11.754 5.402 1.00 -0.27 N HETATM 2568 CA VAL A 110 12.007 12.127 4.535 1.00 0.12 C HETATM 2569 C VAL A 110 12.336 13.368 3.727 1.00 0.20 C HETATM 2570 O VAL A 110 13.449 13.900 3.794 1.00 -0.39 O HETATM 2571 N VAL A 110 11.364 13.839 2.961 1.00 -0.26 N HETATM 2572 CA VAL A 110 11.540 15.056 2.183 1.00 0.13 C HETATM 2573 C VAL A 110 10.179 15.618 1.809 1.00 0.20 C HETATM 2574 O VAL A 110 9.160 14.931 1.924 1.00 -0.39 O HETATM 2575 N VAL A 110 10.164 16.865 1.352 1.00 -0.26 N HETATM 2576 CA VAL A 110 8.924 17.490 0.915 1.00 0.13 C HETATM 2577 C VAL A 110 8.532 17.056 -0.495 1.00 0.20 C HETATM 2578 O VAL A 110 8.418 17.876 -1.409 1.00 -0.39 O HETATM 2579 N VAL A 110 8.340 15.750 -0.651 1.00 -0.26 N HETATM 2580 CA VAL A 110 7.878 15.140 -1.885 1.00 0.13 C HETATM 2581 C VAL A 110 6.417 15.479 -2.154 1.00 0.21 C HETATM 2582 O VAL A 110 5.552 15.180 -1.336 1.00 -0.39 O HETATM 2583 N VAL A 110 6.128 16.082 -3.314 1.00 -0.25 N HETATM 2584 CA VAL A 110 4.732 16.414 -3.622 1.00 0.13 C HETATM 2585 C VAL A 110 3.874 15.156 -3.708 1.00 0.20 C HETATM 2586 O VAL A 110 4.377 14.100 -4.107 1.00 -0.39 O HETATM 2587 N VAL A 110 2.601 15.262 -3.332 1.00 -0.26 N HETATM 2588 CA VAL A 110 1.674 14.135 -3.497 1.00 0.14 C HETATM 2589 C VAL A 110 1.730 13.749 -4.973 1.00 0.20 C HETATM 2590 O VAL A 110 1.849 14.611 -5.846 1.00 -0.39 O HETATM 2591 N1 VAL A 110 1.651 12.440 -5.215 1.00 -0.30 N HETATM 2592 H VAL A 110 1.688 12.096 -6.174 1.00 0.18 H HETATM 2593 H VAL A 110 1.553 11.783 -4.441 1.00 0.18 H HETATM 2594 CB VAL A 110 0.230 14.496 -3.117 1.00 0.04 C HETATM 2595 CG VAL A 110 0.122 14.854 -1.619 1.00 0.04 C HETATM 2596 OD1 VAL A 110 -0.906 14.466 -1.019 1.00 -0.57 O HETATM 2597 OD2 VAL A 110 1.060 15.497 -1.102 1.00 -0.57 O HETATM 2598 H VAL A 110 -0.409 13.636 -3.317 1.00 0.05 H HETATM 2599 H VAL A 110 -0.080 15.360 -3.705 1.00 0.05 H HETATM 2600 H VAL A 110 1.970 13.320 -2.837 1.00 0.08 H HETATM 2601 H VAL A 110 2.266 16.135 -2.925 1.00 0.19 H HETATM 2602 CB VAL A 110 4.825 17.077 -5.001 1.00 -0.01 C HETATM 2603 CG VAL A 110 6.067 16.506 -5.609 1.00 -0.03 C HETATM 2604 CD VAL A 110 7.027 16.347 -4.453 1.00 0.04 C HETATM 2605 H VAL A 110 7.755 15.551 -4.613 1.00 0.05 H HETATM 2606 H VAL A 110 7.656 17.224 -4.301 1.00 0.05 H HETATM 2607 H VAL A 110 6.472 17.154 -6.386 1.00 0.03 H HETATM 2608 H VAL A 110 5.874 15.557 -6.109 1.00 0.03 H HETATM 2609 H VAL A 110 4.868 18.164 -4.929 1.00 0.03 H HETATM 2610 H VAL A 110 3.943 16.878 -5.610 1.00 0.03 H HETATM 2611 H VAL A 110 4.274 17.045 -2.861 1.00 0.08 H HETATM 2612 CB VAL A 110 7.995 13.604 -1.784 1.00 -0.01 C HETATM 2613 CG1 VAL A 110 7.505 12.937 -3.062 1.00 -0.06 C HETATM 2614 H VAL A 110 6.460 13.199 -3.230 1.00 0.02 H HETATM 2615 H VAL A 110 8.107 13.280 -3.903 1.00 0.02 H HETATM 2616 H VAL A 110 7.598 11.855 -2.965 1.00 0.02 H HETATM 2617 CG2 VAL A 110 9.433 13.200 -1.451 1.00 -0.06 C HETATM 2618 H VAL A 110 10.100 13.557 -2.236 1.00 0.02 H HETATM 2619 H VAL A 110 9.722 13.642 -0.498 1.00 0.02 H HETATM 2620 H VAL A 110 9.498 12.114 -1.383 1.00 0.02 H HETATM 2621 H VAL A 110 7.355 13.258 -0.972 1.00 0.03 H HETATM 2622 H VAL A 110 8.497 15.526 -2.695 1.00 0.08 H HETATM 2623 H VAL A 110 8.529 15.139 0.144 1.00 0.19 H HETATM 2624 CB VAL A 110 9.031 19.007 1.014 1.00 -0.00 C HETATM 2625 CG VAL A 110 9.425 19.481 2.403 1.00 0.00 C HETATM 2626 CD VAL A 110 8.515 20.563 2.928 1.00 0.04 C HETATM 2627 OE1 VAL A 110 7.574 20.954 2.206 1.00 -0.57 O HETATM 2628 OE2 VAL A 110 8.742 21.023 4.063 1.00 -0.57 O HETATM 2629 H VAL A 110 10.433 19.891 2.344 1.00 0.04 H HETATM 2630 H VAL A 110 9.357 18.629 3.079 1.00 0.04 H HETATM 2631 H VAL A 110 8.052 19.426 0.784 1.00 0.03 H HETATM 2632 H VAL A 110 9.805 19.333 0.319 1.00 0.03 H HETATM 2633 H VAL A 110 8.130 17.154 1.582 1.00 0.08 H HETATM 2634 H VAL A 110 11.035 17.393 1.306 1.00 0.19 H HETATM 2635 CB VAL A 110 12.365 14.772 0.930 1.00 -0.02 C HETATM 2636 H VAL A 110 13.344 14.390 1.220 1.00 0.03 H HETATM 2637 H VAL A 110 11.851 14.030 0.319 1.00 0.03 H HETATM 2638 H VAL A 110 12.487 15.693 0.360 1.00 0.03 H HETATM 2639 H VAL A 110 12.077 15.791 2.783 1.00 0.08 H HETATM 2640 H VAL A 110 10.476 13.340 2.916 1.00 0.19 H HETATM 2641 H VAL A 110 11.135 12.338 5.154 1.00 0.08 H HETATM 2642 H VAL A 110 11.815 11.305 3.845 1.00 0.08 H HETATM 2643 H VAL A 110 14.063 11.925 5.087 1.00 0.19 H HETATM 2644 CB VAL A 110 14.396 9.346 7.370 1.00 -0.00 C HETATM 2645 CG1 VAL A 110 15.793 9.021 7.900 1.00 -0.05 C HETATM 2646 CD1 VAL A 110 16.044 7.554 8.084 1.00 -0.06 C HETATM 2647 H VAL A 110 15.325 7.150 8.796 1.00 0.02 H HETATM 2648 H VAL A 110 15.934 7.045 7.127 1.00 0.02 H HETATM 2649 H VAL A 110 17.055 7.404 8.462 1.00 0.02 H HETATM 2650 H VAL A 110 15.887 9.492 8.878 1.00 0.03 H HETATM 2651 H VAL A 110 16.512 9.384 7.166 1.00 0.03 H HETATM 2652 CG2 VAL A 110 14.253 8.806 5.956 1.00 -0.06 C HETATM 2653 H VAL A 110 13.251 9.021 5.586 1.00 0.02 H HETATM 2654 H VAL A 110 14.991 9.283 5.310 1.00 0.02 H HETATM 2655 H VAL A 110 14.416 7.728 5.962 1.00 0.02 H HETATM 2656 H VAL A 110 13.647 8.877 8.007 1.00 0.03 H HETATM 2657 H VAL A 110 15.031 11.345 6.927 1.00 0.08 H HETATM 2658 H VAL A 110 13.979 10.666 9.507 1.00 0.19 H HETATM 2659 CB VAL A 110 12.318 13.230 10.720 1.00 -0.01 C HETATM 2660 CG VAL A 110 12.309 14.316 11.810 1.00 -0.03 C HETATM 2661 CD VAL A 110 13.437 15.224 11.397 1.00 0.04 C HETATM 2662 H VAL A 110 13.117 16.008 10.711 1.00 0.05 H HETATM 2663 H VAL A 110 13.856 15.782 12.234 1.00 0.05 H HETATM 2664 H VAL A 110 12.442 13.908 12.812 1.00 0.03 H HETATM 2665 H VAL A 110 11.353 14.836 11.879 1.00 0.03 H HETATM 2666 H VAL A 110 11.794 12.324 11.024 1.00 0.03 H HETATM 2667 H VAL A 110 11.786 13.534 9.819 1.00 0.03 H HETATM 2668 H VAL A 110 14.233 12.184 11.067 1.00 0.08 H HETATM 2669 CB VAL A 110 16.648 16.585 9.605 1.00 -0.01 C HETATM 2670 CG VAL A 110 18.111 16.314 9.384 1.00 -0.03 C HETATM 2671 CD VAL A 110 18.711 16.255 10.763 1.00 0.04 C HETATM 2672 H VAL A 110 19.601 15.628 10.811 1.00 0.05 H HETATM 2673 H VAL A 110 19.077 17.222 11.108 1.00 0.05 H HETATM 2674 H VAL A 110 18.577 17.088 8.774 1.00 0.03 H HETATM 2675 H VAL A 110 18.271 15.386 8.835 1.00 0.03 H HETATM 2676 H VAL A 110 16.440 17.653 9.665 1.00 0.03 H HETATM 2677 H VAL A 110 16.041 16.225 8.774 1.00 0.03 H HETATM 2678 H VAL A 110 15.557 16.398 11.505 1.00 0.08 H HETATM 2679 CB VAL A 110 19.602 13.530 12.838 1.00 -0.01 C HETATM 2680 CG VAL A 110 19.193 12.510 13.843 1.00 -0.03 C HETATM 2681 CD VAL A 110 19.213 13.216 15.175 1.00 0.04 C HETATM 2682 H VAL A 110 18.482 12.813 15.876 1.00 0.05 H HETATM 2683 H VAL A 110 20.158 13.092 15.703 1.00 0.05 H HETATM 2684 H VAL A 110 19.868 11.654 13.837 1.00 0.03 H HETATM 2685 H VAL A 110 18.204 12.109 13.621 1.00 0.03 H HETATM 2686 H VAL A 110 20.685 13.582 12.724 1.00 0.03 H HETATM 2687 H VAL A 110 19.236 13.291 11.840 1.00 0.03 H HETATM 2688 H VAL A 110 19.607 15.724 13.119 1.00 0.08 H HETATM 2689 CB VAL A 110 17.422 15.883 17.687 1.00 -0.01 C HETATM 2690 CG VAL A 110 16.194 15.198 17.089 1.00 -0.02 C HETATM 2691 CD VAL A 110 14.938 15.803 17.695 1.00 0.06 C HETATM 2692 NE VAL A 110 13.734 15.056 17.346 1.00 -0.27 N HETATM 2693 CZ VAL A 110 12.937 15.373 16.336 1.00 0.29 C HETATM 2694 NH1 VAL A 110 11.857 14.647 16.094 1.00 -0.28 N HETATM 2695 H VAL A 110 11.639 13.845 16.685 1.00 0.26 H HETATM 2696 H VAL A 110 11.243 14.890 15.317 1.00 0.26 H HETATM 2697 NH2 VAL A 110 13.221 16.421 15.569 1.00 -0.28 N HETATM 2698 H VAL A 110 14.052 16.981 15.758 1.00 0.26 H HETATM 2699 H VAL A 110 12.608 16.665 14.791 1.00 0.26 H HETATM 2700 H VAL A 110 13.492 14.243 17.912 1.00 0.26 H HETATM 2701 H VAL A 110 14.831 16.815 17.306 1.00 0.07 H HETATM 2702 H VAL A 110 15.044 15.782 18.780 1.00 0.07 H HETATM 2703 H VAL A 110 16.228 14.131 17.308 1.00 0.03 H HETATM 2704 H VAL A 110 16.185 15.343 16.009 1.00 0.03 H HETATM 2705 H VAL A 110 17.338 16.944 17.451 1.00 0.03 H HETATM 2706 H VAL A 110 17.427 15.648 18.751 1.00 0.03 H HETATM 2707 H VAL A 110 18.854 14.342 17.317 1.00 0.08 H HETATM 2708 H VAL A 110 19.653 17.047 18.192 1.00 0.19 H HETATM 2709 CB VAL A 110 22.728 17.525 17.426 1.00 -0.02 C HETATM 2710 H VAL A 110 23.449 18.170 17.928 1.00 0.03 H HETATM 2711 H VAL A 110 23.230 16.959 16.642 1.00 0.03 H HETATM 2712 H VAL A 110 21.937 18.134 16.987 1.00 0.03 H HETATM 2713 H VAL A 110 21.635 17.157 19.214 1.00 0.08 H HETATM 2714 H VAL A 110 24.019 15.563 18.547 1.00 0.19 H HETATM 2715 CB VAL A 110 23.951 12.950 20.881 1.00 0.01 C HETATM 2716 CG1 VAL A 110 23.594 12.438 19.496 1.00 -0.06 C HETATM 2717 H VAL A 110 24.430 12.613 18.819 1.00 0.02 H HETATM 2718 H VAL A 110 23.385 11.370 19.548 1.00 0.02 H HETATM 2719 H VAL A 110 22.712 12.965 19.131 1.00 0.02 H HETATM 2720 CG2 VAL A 110 25.185 12.218 21.401 1.00 -0.06 C HETATM 2721 H VAL A 110 24.977 11.149 21.454 1.00 0.02 H HETATM 2722 H VAL A 110 26.022 12.393 20.725 1.00 0.02 H HETATM 2723 H VAL A 110 25.435 12.590 22.395 1.00 0.02 H HETATM 2724 H VAL A 110 23.119 12.757 21.559 1.00 0.04 H HETATM 2725 H VAL A 110 25.057 14.648 20.199 1.00 0.11 H HETATM 2726 H VAL A 110 24.698 16.022 22.073 1.00 0.20 H HETATM 2727 H VAL A 110 23.787 14.839 22.812 1.00 0.20 H HETATM 2728 H VAL A 110 25.400 14.571 22.493 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 2539 2540 2726 2727 2728 CONECT 2540 2539 2541 2715 2725 CONECT 2541 2540 2542 2543 CONECT 2542 2541 CONECT 2543 2541 2544 2714 CONECT 2544 2543 2545 2709 2713 CONECT 2545 2544 2546 2547 CONECT 2546 2545 CONECT 2547 2545 2548 2708 CONECT 2548 2547 2549 2689 2707 CONECT 2549 2548 2550 2551 CONECT 2550 2549 CONECT 2551 2549 2552 2681 CONECT 2552 2551 2553 2679 2688 CONECT 2553 2552 2554 2555 CONECT 2554 2553 CONECT 2555 2553 2556 2671 CONECT 2556 2555 2557 2669 2678 CONECT 2557 2556 2558 2559 CONECT 2558 2557 CONECT 2559 2557 2560 2661 CONECT 2560 2559 2561 2659 2668 CONECT 2561 2560 2562 2563 CONECT 2562 2561 CONECT 2563 2561 2564 2658 CONECT 2564 2563 2565 2644 2657 CONECT 2565 2564 2566 2567 CONECT 2566 2565 CONECT 2567 2565 2568 2643 CONECT 2568 2567 2569 2641 2642 CONECT 2569 2568 2570 2571 CONECT 2570 2569 CONECT 2571 2569 2572 2640 CONECT 2572 2571 2573 2635 2639 CONECT 2573 2572 2574 2575 CONECT 2574 2573 CONECT 2575 2573 2576 2634 CONECT 2576 2575 2577 2624 2633 CONECT 2577 2576 2578 2579 CONECT 2578 2577 CONECT 2579 2577 2580 2623 CONECT 2580 2579 2581 2612 2622 CONECT 2581 2580 2582 2583 CONECT 2582 2581 CONECT 2583 2581 2584 2604 CONECT 2584 2583 2585 2602 2611 CONECT 2585 2584 2586 2587 CONECT 2586 2585 CONECT 2587 2585 2588 2601 CONECT 2588 2587 2589 2594 2600 CONECT 2589 2588 2590 2591 CONECT 2590 2589 CONECT 2591 2589 2592 2593 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2588 2595 2598 2599 CONECT 2595 2594 2596 2597 CONECT 2596 2595 CONECT 2597 2595 CONECT 2598 2594 CONECT 2599 2594 CONECT 2600 2588 CONECT 2601 2587 CONECT 2602 2584 2603 2609 2610 CONECT 2603 2602 2604 2607 2608 CONECT 2604 2583 2603 2605 2606 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2603 CONECT 2608 2603 CONECT 2609 2602 CONECT 2610 2602 CONECT 2611 2584 CONECT 2612 2580 2613 2617 2621 CONECT 2613 2612 2614 2615 2616 CONECT 2614 2613 CONECT 2615 2613 CONECT 2616 2613 CONECT 2617 2612 2618 2619 2620 CONECT 2618 2617 CONECT 2619 2617 CONECT 2620 2617 CONECT 2621 2612 CONECT 2622 2580 CONECT 2623 2579 CONECT 2624 2576 2625 2631 2632 CONECT 2625 2624 2626 2629 2630 CONECT 2626 2625 2627 2628 CONECT 2627 2626 CONECT 2628 2626 CONECT 2629 2625 CONECT 2630 2625 CONECT 2631 2624 CONECT 2632 2624 CONECT 2633 2576 CONECT 2634 2575 CONECT 2635 2572 2636 2637 2638 CONECT 2636 2635 CONECT 2637 2635 CONECT 2638 2635 CONECT 2639 2572 CONECT 2640 2571 CONECT 2641 2568 CONECT 2642 2568 CONECT 2643 2567 CONECT 2644 2564 2645 2652 2656 CONECT 2645 2644 2646 2650 2651 CONECT 2646 2645 2647 2648 2649 CONECT 2647 2646 CONECT 2648 2646 CONECT 2649 2646 CONECT 2650 2645 CONECT 2651 2645 CONECT 2652 2644 2653 2654 2655 CONECT 2653 2652 CONECT 2654 2652 CONECT 2655 2652 CONECT 2656 2644 CONECT 2657 2564 CONECT 2658 2563 CONECT 2659 2560 2660 2666 2667 CONECT 2660 2659 2661 2664 2665 CONECT 2661 2559 2660 2662 2663 CONECT 2662 2661 CONECT 2663 2661 CONECT 2664 2660 CONECT 2665 2660 CONECT 2666 2659 CONECT 2667 2659 CONECT 2668 2560 CONECT 2669 2556 2670 2676 2677 CONECT 2670 2669 2671 2674 2675 CONECT 2671 2555 2670 2672 2673 CONECT 2672 2671 CONECT 2673 2671 CONECT 2674 2670 CONECT 2675 2670 CONECT 2676 2669 CONECT 2677 2669 CONECT 2678 2556 CONECT 2679 2552 2680 2686 2687 CONECT 2680 2679 2681 2684 2685 CONECT 2681 2551 2680 2682 2683 CONECT 2682 2681 CONECT 2683 2681 CONECT 2684 2680 CONECT 2685 2680 CONECT 2686 2679 CONECT 2687 2679 CONECT 2688 2552 CONECT 2689 2548 2690 2705 2706 CONECT 2690 2689 2691 2703 2704 CONECT 2691 2690 2692 2701 2702 CONECT 2692 2691 2693 2700 CONECT 2693 2692 2694 2697 CONECT 2694 2693 2695 2696 CONECT 2695 2694 CONECT 2696 2694 CONECT 2697 2693 2698 2699 CONECT 2698 2697 CONECT 2699 2697 CONECT 2700 2692 CONECT 2701 2691 CONECT 2702 2691 CONECT 2703 2690 CONECT 2704 2690 CONECT 2705 2689 CONECT 2706 2689 CONECT 2707 2548 CONECT 2708 2547 CONECT 2709 2544 2710 2711 2712 CONECT 2710 2709 CONECT 2711 2709 CONECT 2712 2709 CONECT 2713 2544 CONECT 2714 2543 CONECT 2715 2540 2716 2720 2724 CONECT 2716 2715 2717 2718 2719 CONECT 2717 2716 CONECT 2718 2716 CONECT 2719 2716 CONECT 2720 2715 2721 2722 2723 CONECT 2721 2720 CONECT 2722 2720 CONECT 2723 2720 CONECT 2724 2715 CONECT 2725 2540 CONECT 2726 2539 CONECT 2727 2539 CONECT 2728 2539 MASTER 0 0 0 0 0 0 0 0 2727 1 194 13 END
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Entry Information
PDB ID
3twu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ankyrin repeat clusters (ARC4) from human Tankyrase 2
Ligand Name
16-mer
EC.Number
E.C.2.4.2.30
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Cell(Cambridge,Mass.) Vol. 147: pp. 1340-1354
Ligand Properties
Formula
C
5
9
H
9
9
N
1
7
O
1
7
Molecular Weight
1318.520
Exact Mass
1317.740
No. of atoms
192
No. of bonds
195
Polar Surface Area
525.38
LOGP Value
-0.21 (
Computed with XLOGP3
)
-2.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CC(=O)O)C(C)C)CCC(=O)O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)[NH3+])C)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C59H97N17O17/c1-9-31(6)46(54(89)65-28-41(77)66-32(7)48(83)68-34(20-21-42(78)79)50(85)71-45(30(4)5)58(93)74-24-12-16-37(74)51(86)70-36(47(61)82)27-43(80)81)72-52(87)38-17-11-23-73(38)56(91)40-19-14-26-76(40)57(92)39-18-13-25-75(39)55(90)35(15-10-22-64-59(62)63)69-49(84)33(8)67-53(88)44(60)29(2)3/h29-40,44-46H,9-28,60H2,1-8H3,(H2,61,82)(H,65,89)(H,66,77)(H,67,88)(H,68,83)(H,69,84)(H,70,86)(H,71,85)(H,72,87)(H,78,79)(H,80,81)(H4,62,63,64)/p+2/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,44-,45-,46-/m0/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q9H2K2
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
80351
4170
ASD
Information of known allosteric effects of PDB entries
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