Browse entries in the PDBbind-CN Database
HEADER 4Z68_COMPLEX COMPND 4Z68_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 SER GLU ALA ASP ARG GLN LEU LEU GLU ALA ALA LYS ALA SEQRES 2 A 155 GLY ASP VAL GLU THR VAL LYS LYS LEU CYS THR VAL GLN SEQRES 3 A 155 SER VAL ASN CYS ARG ASP ILE GLU GLY ARG GLN SER THR SEQRES 4 A 155 PRO LEU HIS PHE ALA ALA GLY TYR ASN ARG VAL SER VAL SEQRES 5 A 155 VAL GLU TYR LEU LEU GLN HIS GLY ALA ASP VAL HIS ALA SEQRES 6 A 155 LYS ASP LYS GLY GLY LEU VAL PRO LEU HIS ASN ALA CYS SEQRES 7 A 155 SER TYR GLY HIS TYR GLU VAL ALA GLU LEU LEU VAL LYS SEQRES 8 A 155 HIS GLY ALA VAL VAL ASN VAL ALA ASP LEU TRP LYS PHE SEQRES 9 A 155 THR PRO LEU HIS GLU ALA ALA ALA LYS GLY LYS TYR GLU SEQRES 10 A 155 ILE CYS LYS LEU LEU LEU GLN HIS GLY ALA ASP PRO THR SEQRES 11 A 155 LYS LYS ASN ARG ASP GLY ASN THR PRO LEU ASP LEU VAL SEQRES 12 A 155 LYS ASP GLY ASP THR ASP ILE GLN ASP LEU LEU ARG HET GLU A 224 171 ATOM 1 N SER A 490 -3.637 -2.753 37.530 1.00 31.14 N ATOM 2 CA SER A 490 -4.741 -2.642 38.484 1.00 40.75 C ATOM 3 C SER A 490 -5.784 -3.739 38.261 1.00 38.04 C ATOM 4 O SER A 490 -6.094 -4.083 37.120 1.00 33.81 O ATOM 5 CB SER A 490 -5.386 -1.259 38.390 1.00 35.34 C ATOM 6 OG SER A 490 -6.744 -1.293 38.790 1.00 35.69 O ATOM 7 HG SER A 490 -7.131 -0.385 38.718 1.00 0.00 H ATOM 8 HN3 SER A 490 -4.007 -2.666 36.562 1.00 0.00 H ATOM 9 HN2 SER A 490 -3.174 -3.677 37.643 1.00 0.00 H ATOM 10 HN1 SER A 490 -2.948 -1.995 37.709 1.00 0.00 H ATOM 11 N GLU A 491 -6.321 -4.285 39.353 1.00 37.48 N ATOM 12 CA GLU A 491 -7.288 -5.384 39.283 1.00 40.34 C ATOM 13 C GLU A 491 -8.610 -4.962 38.638 1.00 29.41 C ATOM 14 O GLU A 491 -9.218 -5.728 37.884 1.00 29.08 O ATOM 15 CB GLU A 491 -7.545 -5.969 40.678 1.00 33.58 C ATOM 16 H GLU A 491 -6.044 -3.918 40.286 1.00 0.00 H ATOM 17 N ALA A 492 -9.053 -3.745 38.937 1.00 34.04 N ATOM 18 CA ALA A 492 -10.260 -3.212 38.319 1.00 33.32 C ATOM 19 C ALA A 492 -10.054 -3.021 36.820 1.00 29.97 C ATOM 20 O ALA A 492 -10.970 -3.252 36.022 1.00 25.78 O ATOM 21 CB ALA A 492 -10.660 -1.905 38.967 1.00 34.97 C ATOM 22 H ALA A 492 -8.530 -3.164 39.623 1.00 0.00 H ATOM 23 N ASP A 493 -8.853 -2.588 36.443 1.00 26.13 N ATOM 24 CA ASP A 493 -8.505 -2.420 35.030 1.00 27.09 C ATOM 25 C ASP A 493 -8.605 -3.733 34.267 1.00 23.95 C ATOM 26 O ASP A 493 -9.205 -3.792 33.198 1.00 17.49 O ATOM 27 CB ASP A 493 -7.087 -1.879 34.885 1.00 23.31 C ATOM 28 CG ASP A 493 -6.968 -0.432 35.305 1.00 35.35 C ATOM 29 OD1 ASP A 493 -8.014 0.221 35.508 1.00 36.42 O ATOM 30 OD2 ASP A 493 -5.821 0.052 35.424 1.00 42.68 O ATOM 31 H ASP A 493 -8.144 -2.363 37.170 1.00 0.00 H ATOM 32 N ARG A 494 -7.990 -4.778 34.812 1.00 21.43 N ATOM 33 CA ARG A 494 -8.031 -6.101 34.199 1.00 19.62 C ATOM 34 C ARG A 494 -9.473 -6.592 34.045 1.00 20.84 C ATOM 35 O ARG A 494 -9.839 -7.158 33.014 1.00 19.12 O ATOM 36 CB ARG A 494 -7.218 -7.103 35.029 1.00 24.37 C ATOM 37 H ARG A 494 -7.465 -4.649 35.700 1.00 0.00 H ATOM 38 N GLN A 495 -10.293 -6.373 35.066 1.00 18.74 N ATOM 39 CA GLN A 495 -11.684 -6.800 34.990 1.00 20.23 C ATOM 40 C GLN A 495 -12.493 -5.962 34.012 1.00 19.54 C ATOM 41 O GLN A 495 -13.437 -6.459 33.408 1.00 17.93 O ATOM 42 CB GLN A 495 -12.341 -6.801 36.369 1.00 24.22 C ATOM 43 CG GLN A 495 -11.908 -7.960 37.230 1.00 22.39 C ATOM 44 CD GLN A 495 -12.345 -7.793 38.662 1.00 19.98 C ATOM 45 OE1 GLN A 495 -13.277 -7.048 38.954 1.00 30.32 O ATOM 46 NE2 GLN A 495 -11.668 -8.486 39.569 1.00 34.33 N ATOM 47 HE22 GLN A 495 -10.886 -9.104 39.274 1.00 0.00 H ATOM 48 HE21 GLN A 495 -11.920 -8.411 40.575 1.00 0.00 H ATOM 49 H GLN A 495 -9.942 -5.896 35.921 1.00 0.00 H ATOM 50 N LEU A 496 -12.130 -4.697 33.850 1.00 17.59 N ATOM 51 CA LEU A 496 -12.822 -3.865 32.869 1.00 14.57 C ATOM 52 C LEU A 496 -12.498 -4.314 31.447 1.00 15.69 C ATOM 53 O LEU A 496 -13.395 -4.447 30.619 1.00 16.90 O ATOM 54 CB LEU A 496 -12.483 -2.386 33.051 1.00 17.51 C ATOM 55 CG LEU A 496 -13.018 -1.491 31.929 1.00 19.65 C ATOM 56 CD1 LEU A 496 -14.524 -1.503 31.907 1.00 18.71 C ATOM 57 CD2 LEU A 496 -12.509 -0.068 32.100 1.00 21.36 C ATOM 58 H LEU A 496 -11.356 -4.299 34.419 1.00 0.00 H ATOM 59 N LEU A 497 -11.217 -4.551 31.164 1.00 14.44 N ATOM 60 CA LEU A 497 -10.797 -4.977 29.825 1.00 14.08 C ATOM 61 C LEU A 497 -11.497 -6.271 29.450 1.00 18.40 C ATOM 62 O LEU A 497 -11.917 -6.466 28.306 1.00 16.44 O ATOM 63 CB LEU A 497 -9.284 -5.182 29.779 1.00 14.77 C ATOM 64 CG LEU A 497 -8.479 -3.897 29.946 1.00 15.71 C ATOM 65 CD1 LEU A 497 -7.010 -4.206 30.255 1.00 18.71 C ATOM 66 CD2 LEU A 497 -8.588 -3.096 28.660 1.00 14.23 C ATOM 67 H LEU A 497 -10.501 -4.431 31.908 1.00 0.00 H ATOM 68 N GLU A 498 -11.618 -7.165 30.426 1.00 17.06 N ATOM 69 CA GLU A 498 -12.257 -8.452 30.192 1.00 20.42 C ATOM 70 C GLU A 498 -13.760 -8.329 30.008 1.00 15.54 C ATOM 71 O GLU A 498 -14.340 -9.013 29.170 1.00 15.16 O ATOM 72 CB GLU A 498 -11.944 -9.426 31.327 1.00 21.08 C ATOM 73 CG GLU A 498 -10.516 -9.914 31.321 1.00 17.59 C ATOM 74 CD GLU A 498 -10.390 -11.298 31.901 1.00 23.75 C ATOM 75 OE1 GLU A 498 -11.255 -11.678 32.720 1.00 26.00 O ATOM 76 OE2 GLU A 498 -9.432 -12.010 31.526 1.00 26.70 O ATOM 77 H GLU A 498 -11.250 -6.941 31.373 1.00 0.00 H ATOM 78 N ALA A 499 -14.392 -7.459 30.790 1.00 13.28 N ATOM 79 CA ALA A 499 -15.825 -7.260 30.675 1.00 14.14 C ATOM 80 C ALA A 499 -16.131 -6.672 29.301 1.00 15.71 C ATOM 81 O ALA A 499 -17.170 -6.961 28.709 1.00 14.54 O ATOM 82 CB ALA A 499 -16.333 -6.333 31.788 1.00 18.17 C ATOM 83 H ALA A 499 -13.853 -6.914 31.493 1.00 0.00 H ATOM 84 N ALA A 500 -15.214 -5.857 28.787 1.00 12.69 N ATOM 85 CA ALA A 500 -15.403 -5.259 27.465 1.00 15.81 C ATOM 86 C ALA A 500 -15.343 -6.325 26.376 1.00 13.67 C ATOM 87 O ALA A 500 -16.105 -6.275 25.414 1.00 13.92 O ATOM 88 CB ALA A 500 -14.363 -4.179 27.211 1.00 17.93 C ATOM 89 H ALA A 500 -14.354 -5.643 29.330 1.00 0.00 H ATOM 90 N LYS A 501 -14.426 -7.281 26.528 1.00 10.49 N ATOM 91 CA LYS A 501 -14.325 -8.409 25.599 1.00 14.73 C ATOM 92 C LYS A 501 -15.555 -9.301 25.694 1.00 13.99 C ATOM 93 O LYS A 501 -15.988 -9.882 24.699 1.00 17.36 O ATOM 94 CB LYS A 501 -13.085 -9.258 25.904 1.00 16.10 C ATOM 95 CG LYS A 501 -11.755 -8.660 25.457 1.00 16.81 C ATOM 96 CD LYS A 501 -10.581 -9.623 25.729 1.00 23.04 C ATOM 97 CE LYS A 501 -9.782 -9.204 26.955 1.00 26.11 C ATOM 98 NZ LYS A 501 -8.632 -10.123 27.224 1.00 30.85 N ATOM 99 HZ1 LYS A 501 -8.990 -11.086 27.385 1.00 0.00 H ATOM 100 HZ2 LYS A 501 -7.991 -10.123 26.405 1.00 0.00 H ATOM 101 HZ3 LYS A 501 -8.119 -9.797 28.068 1.00 0.00 H ATOM 102 H LYS A 501 -13.764 -7.224 27.328 1.00 0.00 H ATOM 103 N ALA A 502 -16.092 -9.431 26.903 1.00 13.36 N ATOM 104 CA ALA A 502 -17.230 -10.321 27.149 1.00 15.05 C ATOM 105 C ALA A 502 -18.545 -9.672 26.770 1.00 16.05 C ATOM 106 O ALA A 502 -19.553 -10.359 26.600 1.00 17.85 O ATOM 107 CB ALA A 502 -17.266 -10.769 28.607 1.00 13.16 C ATOM 108 H ALA A 502 -15.694 -8.887 27.695 1.00 0.00 H ATOM 109 N GLY A 503 -18.551 -8.349 26.646 1.00 15.03 N ATOM 110 CA GLY A 503 -19.788 -7.637 26.373 1.00 12.92 C ATOM 111 C GLY A 503 -20.711 -7.568 27.578 1.00 21.77 C ATOM 112 O GLY A 503 -21.941 -7.532 27.440 1.00 22.48 O ATOM 113 H GLY A 503 -17.662 -7.818 26.745 1.00 0.00 H ATOM 114 N ASP A 504 -20.121 -7.556 28.768 1.00 20.58 N ATOM 115 CA ASP A 504 -20.899 -7.433 29.997 1.00 26.09 C ATOM 116 C ASP A 504 -21.003 -5.956 30.333 1.00 15.44 C ATOM 117 O ASP A 504 -20.153 -5.413 31.047 1.00 17.09 O ATOM 118 CB ASP A 504 -20.225 -8.174 31.148 1.00 25.60 C ATOM 119 CG ASP A 504 -21.064 -8.160 32.424 1.00 34.70 C ATOM 120 OD1 ASP A 504 -22.137 -7.516 32.449 1.00 37.62 O ATOM 121 OD2 ASP A 504 -20.640 -8.789 33.415 1.00 40.12 O ATOM 122 H ASP A 504 -19.086 -7.636 28.825 1.00 0.00 H ATOM 123 N VAL A 505 -22.054 -5.311 29.832 1.00 18.75 N ATOM 124 CA VAL A 505 -22.115 -3.862 29.917 1.00 23.74 C ATOM 125 C VAL A 505 -22.309 -3.415 31.364 1.00 24.09 C ATOM 126 O VAL A 505 -21.805 -2.368 31.777 1.00 20.46 O ATOM 127 CB VAL A 505 -23.189 -3.276 28.971 1.00 29.14 C ATOM 128 CG1 VAL A 505 -24.590 -3.533 29.506 1.00 27.87 C ATOM 129 CG2 VAL A 505 -22.950 -1.790 28.769 1.00 25.13 C ATOM 130 H VAL A 505 -22.827 -5.841 29.382 1.00 0.00 H ATOM 131 N GLU A 506 -23.000 -4.241 32.144 1.00 20.40 N ATOM 132 CA GLU A 506 -23.250 -3.923 33.548 1.00 28.32 C ATOM 133 C GLU A 506 -21.960 -3.894 34.355 1.00 23.74 C ATOM 134 O GLU A 506 -21.768 -3.020 35.200 1.00 22.63 O ATOM 135 CB GLU A 506 -24.232 -4.920 34.155 1.00 33.01 C ATOM 136 CG GLU A 506 -25.639 -4.797 33.610 1.00 42.53 C ATOM 137 CD GLU A 506 -26.678 -4.749 34.709 1.00 68.52 C ATOM 138 OE1 GLU A 506 -27.410 -3.738 34.794 1.00 74.82 O ATOM 139 OE2 GLU A 506 -26.764 -5.723 35.487 1.00 78.34 O ATOM 140 H GLU A 506 -23.369 -5.129 31.748 1.00 0.00 H ATOM 141 N THR A 507 -21.071 -4.849 34.094 1.00 19.45 N ATOM 142 CA THR A 507 -19.779 -4.866 34.769 1.00 19.76 C ATOM 143 C THR A 507 -18.938 -3.679 34.296 1.00 19.77 C ATOM 144 O THR A 507 -18.252 -3.036 35.092 1.00 23.05 O ATOM 145 CB THR A 507 -19.018 -6.192 34.529 1.00 23.54 C ATOM 146 OG1 THR A 507 -19.813 -7.287 34.994 1.00 31.80 O ATOM 147 CG2 THR A 507 -17.701 -6.198 35.277 1.00 21.31 C ATOM 148 HG1 THR A 507 -20.671 -7.303 34.500 1.00 0.00 H ATOM 149 H THR A 507 -21.300 -5.591 33.402 1.00 0.00 H ATOM 150 N VAL A 508 -18.996 -3.390 32.999 1.00 14.00 N ATOM 151 CA VAL A 508 -18.297 -2.231 32.447 1.00 15.34 C ATOM 152 C VAL A 508 -18.743 -0.948 33.149 1.00 17.95 C ATOM 153 O VAL A 508 -17.910 -0.140 33.566 1.00 19.69 O ATOM 154 CB VAL A 508 -18.533 -2.098 30.937 1.00 16.13 C ATOM 155 CG1 VAL A 508 -18.023 -0.746 30.429 1.00 15.50 C ATOM 156 CG2 VAL A 508 -17.853 -3.244 30.192 1.00 18.86 C ATOM 157 H VAL A 508 -19.550 -4.001 32.365 1.00 0.00 H ATOM 158 N LYS A 509 -20.056 -0.777 33.284 1.00 17.63 N ATOM 159 CA LYS A 509 -20.621 0.400 33.939 1.00 22.63 C ATOM 160 C LYS A 509 -20.096 0.552 35.359 1.00 26.73 C ATOM 161 O LYS A 509 -19.789 1.664 35.802 1.00 24.82 O ATOM 162 CB LYS A 509 -22.153 0.324 33.961 1.00 20.76 C ATOM 163 H LYS A 509 -20.700 -1.504 32.912 1.00 0.00 H ATOM 164 N LYS A 510 -19.991 -0.571 36.066 1.00 22.70 N ATOM 165 CA LYS A 510 -19.487 -0.594 37.435 1.00 23.93 C ATOM 166 C LYS A 510 -18.000 -0.255 37.551 1.00 27.44 C ATOM 167 O LYS A 510 -17.573 0.355 38.529 1.00 29.39 O ATOM 168 CB LYS A 510 -19.738 -1.966 38.065 1.00 29.17 C ATOM 169 H LYS A 510 -20.280 -1.468 35.625 1.00 0.00 H ATOM 170 N LEU A 511 -17.216 -0.656 36.556 1.00 19.04 N ATOM 171 CA LEU A 511 -15.767 -0.539 36.639 1.00 17.95 C ATOM 172 C LEU A 511 -15.209 0.717 35.958 1.00 21.97 C ATOM 173 O LEU A 511 -14.031 1.037 36.105 1.00 22.29 O ATOM 174 CB LEU A 511 -15.112 -1.785 36.041 1.00 19.20 C ATOM 175 CG LEU A 511 -15.433 -3.093 36.761 1.00 19.78 C ATOM 176 CD1 LEU A 511 -14.763 -4.266 36.069 1.00 24.61 C ATOM 177 CD2 LEU A 511 -14.993 -3.000 38.207 1.00 29.71 C ATOM 178 H LEU A 511 -17.646 -1.062 35.700 1.00 0.00 H ATOM 179 N CYS A 512 -16.045 1.426 35.212 1.00 18.59 N ATOM 180 CA CYS A 512 -15.568 2.608 34.490 1.00 16.62 C ATOM 181 C CYS A 512 -15.253 3.771 35.437 1.00 20.67 C ATOM 182 O CYS A 512 -16.121 4.239 36.171 1.00 24.85 O ATOM 183 CB CYS A 512 -16.563 3.045 33.407 1.00 28.88 C ATOM 184 SG CYS A 512 -16.325 2.188 31.808 1.00 33.85 S ATOM 185 H CYS A 512 -17.043 1.142 35.139 1.00 0.00 H ATOM 186 N THR A 513 -13.996 4.206 35.425 1.00 20.78 N ATOM 187 CA THR A 513 -13.564 5.394 36.159 1.00 18.51 C ATOM 188 C THR A 513 -12.833 6.303 35.185 1.00 18.67 C ATOM 189 O THR A 513 -12.605 5.916 34.046 1.00 15.62 O ATOM 190 CB THR A 513 -12.588 5.045 37.288 1.00 16.75 C ATOM 191 OG1 THR A 513 -11.450 4.372 36.739 1.00 19.01 O ATOM 192 CG2 THR A 513 -13.262 4.164 38.341 1.00 18.93 C ATOM 193 HG1 THR A 513 -11.745 3.542 36.287 1.00 0.00 H ATOM 194 H THR A 513 -13.291 3.679 34.870 1.00 0.00 H ATOM 195 N VAL A 514 -12.445 7.492 35.639 1.00 13.85 N ATOM 196 CA VAL A 514 -11.659 8.405 34.818 1.00 13.13 C ATOM 197 C VAL A 514 -10.455 7.684 34.219 1.00 17.49 C ATOM 198 O VAL A 514 -10.190 7.775 33.023 1.00 19.86 O ATOM 199 CB VAL A 514 -11.203 9.625 35.647 1.00 14.55 C ATOM 200 CG1 VAL A 514 -10.185 10.474 34.880 1.00 17.41 C ATOM 201 CG2 VAL A 514 -12.413 10.455 36.044 1.00 13.14 C ATOM 202 H VAL A 514 -12.709 7.777 36.604 1.00 0.00 H ATOM 203 N GLN A 515 -9.757 6.920 35.047 1.00 17.17 N ATOM 204 CA GLN A 515 -8.522 6.284 34.609 1.00 22.76 C ATOM 205 C GLN A 515 -8.762 4.979 33.854 1.00 22.53 C ATOM 206 O GLN A 515 -8.081 4.686 32.873 1.00 27.45 O ATOM 207 CB GLN A 515 -7.584 6.064 35.802 1.00 19.27 C ATOM 208 CG GLN A 515 -7.080 7.362 36.439 1.00 27.97 C ATOM 209 CD GLN A 515 -8.139 8.064 37.275 1.00 28.87 C ATOM 210 OE1 GLN A 515 -9.068 7.428 37.789 1.00 22.78 O ATOM 211 NE2 GLN A 515 -8.014 9.385 37.404 1.00 22.70 N ATOM 212 HE22 GLN A 515 -7.216 9.878 36.954 1.00 0.00 H ATOM 213 HE21 GLN A 515 -8.714 9.922 37.954 1.00 0.00 H ATOM 214 H GLN A 515 -10.095 6.773 36.020 1.00 0.00 H ATOM 215 N SER A 516 -9.733 4.191 34.295 1.00 15.21 N ATOM 216 CA SER A 516 -9.904 2.874 33.690 1.00 15.00 C ATOM 217 C SER A 516 -10.532 2.893 32.305 1.00 18.92 C ATOM 218 O SER A 516 -10.273 1.981 31.520 1.00 14.65 O ATOM 219 CB SER A 516 -10.679 1.921 34.602 1.00 18.02 C ATOM 220 OG SER A 516 -12.043 2.279 34.667 1.00 21.52 O ATOM 221 HG SER A 516 -12.521 1.648 35.262 1.00 0.00 H ATOM 222 H SER A 516 -10.363 4.507 35.060 1.00 0.00 H ATOM 223 N VAL A 517 -11.337 3.910 31.988 1.00 11.92 N ATOM 224 CA VAL A 517 -12.070 3.900 30.722 1.00 10.74 C ATOM 225 C VAL A 517 -11.141 3.843 29.503 1.00 14.81 C ATOM 226 O VAL A 517 -11.483 3.241 28.480 1.00 16.97 O ATOM 227 CB VAL A 517 -13.125 5.060 30.613 1.00 17.08 C ATOM 228 CG1 VAL A 517 -12.457 6.442 30.558 1.00 14.27 C ATOM 229 CG2 VAL A 517 -14.014 4.853 29.400 1.00 15.76 C ATOM 230 H VAL A 517 -11.443 4.711 32.643 1.00 0.00 H ATOM 231 N ASN A 518 -9.965 4.452 29.616 1.00 11.35 N ATOM 232 CA ASN A 518 -8.936 4.303 28.590 1.00 15.66 C ATOM 233 C ASN A 518 -7.653 3.627 29.077 1.00 17.67 C ATOM 234 O ASN A 518 -6.574 3.924 28.565 1.00 18.07 O ATOM 235 CB ASN A 518 -8.583 5.659 27.964 1.00 23.37 C ATOM 236 CG ASN A 518 -9.775 6.330 27.314 1.00 21.62 C ATOM 237 OD1 ASN A 518 -10.384 5.789 26.387 1.00 22.83 O ATOM 238 ND2 ASN A 518 -10.128 7.508 27.813 1.00 20.00 N ATOM 239 HD22 ASN A 518 -9.584 7.925 28.595 1.00 0.00 H ATOM 240 HD21 ASN A 518 -10.948 8.014 27.422 1.00 0.00 H ATOM 241 H ASN A 518 -9.774 5.045 30.449 1.00 0.00 H ATOM 242 N CYS A 519 -7.754 2.736 30.063 1.00 16.32 N ATOM 243 CA CYS A 519 -6.580 1.986 30.503 1.00 16.91 C ATOM 244 C CYS A 519 -6.084 1.101 29.361 1.00 26.10 C ATOM 245 O CYS A 519 -6.777 0.910 28.354 1.00 14.97 O ATOM 246 CB CYS A 519 -6.881 1.133 31.737 1.00 16.97 C ATOM 247 SG CYS A 519 -7.948 -0.306 31.414 1.00 19.68 S ATOM 248 H CYS A 519 -8.673 2.574 30.522 1.00 0.00 H ATOM 249 N ARG A 520 -4.874 0.579 29.508 1.00 13.99 N ATOM 250 CA ARG A 520 -4.277 -0.233 28.462 1.00 15.46 C ATOM 251 C ARG A 520 -3.912 -1.621 28.967 1.00 16.89 C ATOM 252 O ARG A 520 -3.484 -1.784 30.111 1.00 20.55 O ATOM 253 CB ARG A 520 -3.039 0.470 27.896 1.00 18.59 C ATOM 254 CG ARG A 520 -3.392 1.813 27.271 1.00 16.94 C ATOM 255 CD ARG A 520 -2.211 2.505 26.643 1.00 33.50 C ATOM 256 NE ARG A 520 -2.708 3.552 25.758 1.00 46.10 N ATOM 257 CZ ARG A 520 -2.946 3.384 24.461 1.00 36.15 C ATOM 258 NH1 ARG A 520 -2.695 2.215 23.877 1.00 27.37 N ATOM 259 NH2 ARG A 520 -3.411 4.397 23.743 1.00 33.02 N ATOM 260 HE ARG A 520 -2.888 4.491 26.168 1.00 0.00 H ATOM 261 HH12 ARG A 520 -2.883 2.090 22.862 1.00 0.00 H ATOM 262 HH11 ARG A 520 -2.310 1.427 24.436 1.00 0.00 H ATOM 263 HH22 ARG A 520 -3.599 4.272 22.728 1.00 0.00 H ATOM 264 HH21 ARG A 520 -3.588 5.317 24.195 1.00 0.00 H ATOM 265 H ARG A 520 -4.344 0.754 30.386 1.00 0.00 H ATOM 266 N ASP A 521 -4.088 -2.608 28.092 1.00 14.07 N ATOM 267 CA ASP A 521 -3.688 -3.982 28.352 1.00 16.45 C ATOM 268 C ASP A 521 -2.157 -4.082 28.237 1.00 23.14 C ATOM 269 O ASP A 521 -1.619 -4.381 27.166 1.00 20.03 O ATOM 270 CB ASP A 521 -4.365 -4.912 27.338 1.00 20.87 C ATOM 271 CG ASP A 521 -4.071 -6.372 27.594 1.00 26.78 C ATOM 272 OD1 ASP A 521 -3.653 -6.703 28.725 1.00 30.41 O ATOM 273 OD2 ASP A 521 -4.248 -7.188 26.658 1.00 25.96 O ATOM 274 H ASP A 521 -4.533 -2.386 27.178 1.00 0.00 H ATOM 275 N ILE A 522 -1.478 -3.831 29.353 1.00 20.14 N ATOM 276 CA ILE A 522 -0.015 -3.717 29.405 1.00 21.90 C ATOM 277 C ILE A 522 0.726 -4.965 28.960 1.00 25.48 C ATOM 278 O ILE A 522 1.814 -4.880 28.384 1.00 25.20 O ATOM 279 CB ILE A 522 0.460 -3.381 30.828 1.00 26.21 C ATOM 280 H ILE A 522 -2.012 -3.709 30.237 1.00 0.00 H ATOM 281 N GLU A 523 0.154 -6.126 29.245 1.00 19.19 N ATOM 282 CA GLU A 523 0.810 -7.382 28.898 1.00 32.76 C ATOM 283 C GLU A 523 0.463 -7.871 27.488 1.00 34.07 C ATOM 284 O GLU A 523 1.027 -8.865 27.022 1.00 32.62 O ATOM 285 CB GLU A 523 0.480 -8.465 29.932 1.00 33.29 C ATOM 286 H GLU A 523 -0.771 -6.142 29.720 1.00 0.00 H ATOM 287 N GLY A 524 -0.449 -7.170 26.813 1.00 25.26 N ATOM 288 CA GLY A 524 -0.895 -7.556 25.482 1.00 26.69 C ATOM 289 C GLY A 524 -0.426 -6.622 24.374 1.00 26.91 C ATOM 290 O GLY A 524 0.776 -6.468 24.162 1.00 24.76 O ATOM 291 H GLY A 524 -0.855 -6.319 27.252 1.00 0.00 H ATOM 292 N ARG A 525 -1.373 -6.016 23.657 1.00 15.97 N ATOM 293 CA ARG A 525 -1.062 -5.057 22.594 1.00 18.84 C ATOM 294 C ARG A 525 -1.312 -3.623 23.036 1.00 15.48 C ATOM 295 O ARG A 525 -1.374 -2.728 22.191 1.00 18.96 O ATOM 296 CB ARG A 525 -1.968 -5.287 21.380 1.00 25.00 C ATOM 297 CG ARG A 525 -1.763 -6.569 20.623 1.00 27.36 C ATOM 298 CD ARG A 525 -2.731 -6.599 19.451 1.00 20.87 C ATOM 299 NE ARG A 525 -2.586 -5.412 18.600 1.00 19.29 N ATOM 300 CZ ARG A 525 -1.623 -5.267 17.695 1.00 26.06 C ATOM 301 NH1 ARG A 525 -1.560 -4.171 16.947 1.00 18.84 N ATOM 302 NH2 ARG A 525 -0.717 -6.225 17.539 1.00 28.39 N ATOM 303 HE ARG A 525 -3.275 -4.641 18.711 1.00 0.00 H ATOM 304 HH12 ARG A 525 -0.803 -4.066 16.241 1.00 0.00 H ATOM 305 HH11 ARG A 525 -2.267 -3.418 17.067 1.00 0.00 H ATOM 306 HH22 ARG A 525 0.038 -6.116 16.832 1.00 0.00 H ATOM 307 HH21 ARG A 525 -0.763 -7.084 18.123 1.00 0.00 H ATOM 308 H ARG A 525 -2.370 -6.232 23.860 1.00 0.00 H ATOM 309 N GLN A 526 -1.473 -3.407 24.341 1.00 14.41 N ATOM 310 CA GLN A 526 -1.852 -2.093 24.887 1.00 16.69 C ATOM 311 C GLN A 526 -3.229 -1.650 24.405 1.00 15.65 C ATOM 312 O GLN A 526 -3.482 -0.450 24.282 1.00 14.67 O ATOM 313 CB GLN A 526 -0.828 -0.998 24.535 1.00 17.65 C ATOM 314 CG GLN A 526 0.619 -1.464 24.551 1.00 28.36 C ATOM 315 CD GLN A 526 1.013 -2.008 25.894 1.00 25.55 C ATOM 316 OE1 GLN A 526 0.668 -1.433 26.925 1.00 29.03 O ATOM 317 NE2 GLN A 526 1.729 -3.128 25.899 1.00 21.86 N ATOM 318 HE22 GLN A 526 1.997 -3.578 25.000 1.00 0.00 H ATOM 319 HE21 GLN A 526 2.021 -3.554 26.801 1.00 0.00 H ATOM 320 H GLN A 526 -1.325 -4.198 25.000 1.00 0.00 H ATOM 321 N SER A 527 -4.116 -2.604 24.136 1.00 12.77 N ATOM 322 CA SER A 527 -5.485 -2.272 23.725 1.00 12.44 C ATOM 323 C SER A 527 -6.217 -1.600 24.875 1.00 13.81 C ATOM 324 O SER A 527 -5.983 -1.927 26.031 1.00 13.97 O ATOM 325 CB SER A 527 -6.261 -3.528 23.302 1.00 15.86 C ATOM 326 OG SER A 527 -5.671 -4.134 22.163 1.00 19.79 O ATOM 327 HG SER A 527 -6.190 -4.939 21.913 1.00 0.00 H ATOM 328 H SER A 527 -3.835 -3.602 24.218 1.00 0.00 H ATOM 329 N THR A 528 -7.111 -0.669 24.542 1.00 12.96 N ATOM 330 CA THR A 528 -8.011 -0.038 25.508 1.00 13.23 C ATOM 331 C THR A 528 -9.317 -0.819 25.553 1.00 12.34 C ATOM 332 O THR A 528 -9.559 -1.657 24.678 1.00 14.21 O ATOM 333 CB THR A 528 -8.336 1.419 25.098 1.00 14.41 C ATOM 334 OG1 THR A 528 -9.063 1.414 23.867 1.00 12.23 O ATOM 335 CG2 THR A 528 -7.075 2.226 24.931 1.00 11.81 C ATOM 336 HG1 THR A 528 -9.271 2.346 23.604 1.00 0.00 H ATOM 337 H THR A 528 -7.172 -0.376 23.546 1.00 0.00 H ATOM 338 N PRO A 529 -10.168 -0.552 26.564 1.00 12.56 N ATOM 339 CA PRO A 529 -11.483 -1.200 26.594 1.00 11.30 C ATOM 340 C PRO A 529 -12.221 -1.034 25.271 1.00 13.77 C ATOM 341 O PRO A 529 -12.888 -1.969 24.817 1.00 12.55 O ATOM 342 CB PRO A 529 -12.206 -0.459 27.721 1.00 10.99 C ATOM 343 CG PRO A 529 -11.067 -0.108 28.688 1.00 8.88 C ATOM 344 CD PRO A 529 -9.895 0.210 27.801 1.00 10.59 C ATOM 345 N LEU A 530 -12.077 0.120 24.632 1.00 10.09 N ATOM 346 CA LEU A 530 -12.784 0.331 23.373 1.00 8.48 C ATOM 347 C LEU A 530 -12.225 -0.509 22.218 1.00 12.66 C ATOM 348 O LEU A 530 -12.986 -0.942 21.360 1.00 10.87 O ATOM 349 CB LEU A 530 -12.818 1.823 23.006 1.00 11.53 C ATOM 350 CG LEU A 530 -13.629 2.227 21.772 1.00 12.87 C ATOM 351 CD1 LEU A 530 -15.107 1.847 21.911 1.00 9.57 C ATOM 352 CD2 LEU A 530 -13.499 3.729 21.536 1.00 12.47 C ATOM 353 H LEU A 530 -11.467 0.866 25.024 1.00 0.00 H ATOM 354 N HIS A 531 -10.909 -0.738 22.188 1.00 10.86 N ATOM 355 CA HIS A 531 -10.323 -1.652 21.195 1.00 12.29 C ATOM 356 C HIS A 531 -10.934 -3.043 21.324 1.00 8.78 C ATOM 357 O HIS A 531 -11.249 -3.696 20.322 1.00 8.85 O ATOM 358 CB HIS A 531 -8.797 -1.781 21.364 1.00 11.29 C ATOM 359 CG HIS A 531 -8.012 -0.636 20.806 1.00 13.90 C ATOM 360 ND1 HIS A 531 -7.571 0.416 21.578 1.00 15.63 N ATOM 361 CD2 HIS A 531 -7.561 -0.389 19.547 1.00 12.05 C ATOM 362 CE1 HIS A 531 -6.894 1.263 20.828 1.00 16.00 C ATOM 363 NE2 HIS A 531 -6.874 0.800 19.591 1.00 14.36 N ATOM 364 H HIS A 531 -10.290 -0.264 22.876 1.00 0.00 H ATOM 365 N PHE A 532 -11.066 -3.506 22.567 1.00 11.26 N ATOM 366 CA PHE A 532 -11.577 -4.844 22.833 1.00 12.18 C ATOM 367 C PHE A 532 -13.047 -4.931 22.490 1.00 11.61 C ATOM 368 O PHE A 532 -13.465 -5.872 21.830 1.00 12.49 O ATOM 369 CB PHE A 532 -11.386 -5.231 24.296 1.00 8.65 C ATOM 370 CG PHE A 532 -9.982 -5.640 24.638 1.00 12.28 C ATOM 371 CD1 PHE A 532 -9.323 -6.603 23.891 1.00 16.82 C ATOM 372 CD2 PHE A 532 -9.333 -5.075 25.717 1.00 13.75 C ATOM 373 CE1 PHE A 532 -8.028 -6.990 24.217 1.00 13.91 C ATOM 374 CE2 PHE A 532 -8.031 -5.456 26.041 1.00 16.51 C ATOM 375 CZ PHE A 532 -7.387 -6.419 25.287 1.00 13.19 C ATOM 376 H PHE A 532 -10.798 -2.897 23.366 1.00 0.00 H ATOM 377 N ALA A 533 -13.841 -3.965 22.951 1.00 10.07 N ATOM 378 CA ALA A 533 -15.267 -3.970 22.631 1.00 12.32 C ATOM 379 C ALA A 533 -15.492 -3.921 21.128 1.00 12.23 C ATOM 380 O ALA A 533 -16.403 -4.573 20.602 1.00 9.46 O ATOM 381 CB ALA A 533 -15.979 -2.804 23.308 1.00 9.34 C ATOM 382 H ALA A 533 -13.445 -3.205 23.540 1.00 0.00 H ATOM 383 N ALA A 534 -14.670 -3.135 20.431 1.00 10.26 N ATOM 384 CA ALA A 534 -14.795 -3.022 18.983 1.00 10.25 C ATOM 385 C ALA A 534 -14.398 -4.323 18.311 1.00 12.17 C ATOM 386 O ALA A 534 -15.097 -4.800 17.420 1.00 11.17 O ATOM 387 CB ALA A 534 -13.935 -1.886 18.445 1.00 11.06 C ATOM 388 H ALA A 534 -13.931 -2.596 20.927 1.00 0.00 H ATOM 389 N GLY A 535 -13.269 -4.874 18.734 1.00 9.43 N ATOM 390 CA GLY A 535 -12.743 -6.102 18.154 1.00 9.29 C ATOM 391 C GLY A 535 -13.614 -7.315 18.440 1.00 13.09 C ATOM 392 O GLY A 535 -13.669 -8.255 17.637 1.00 11.34 O ATOM 393 H GLY A 535 -12.742 -4.415 19.504 1.00 0.00 H ATOM 394 N TYR A 536 -14.299 -7.309 19.580 1.00 10.49 N ATOM 395 CA TYR A 536 -15.145 -8.444 19.942 1.00 11.12 C ATOM 396 C TYR A 536 -16.615 -8.194 19.660 1.00 13.87 C ATOM 397 O TYR A 536 -17.468 -8.942 20.139 1.00 12.42 O ATOM 398 CB TYR A 536 -14.951 -8.833 21.410 1.00 12.15 C ATOM 399 CG TYR A 536 -13.684 -9.612 21.639 1.00 13.03 C ATOM 400 CD1 TYR A 536 -13.689 -11.001 21.626 1.00 15.38 C ATOM 401 CD2 TYR A 536 -12.474 -8.960 21.844 1.00 12.97 C ATOM 402 CE1 TYR A 536 -12.519 -11.717 21.811 1.00 15.21 C ATOM 403 CE2 TYR A 536 -11.302 -9.667 22.035 1.00 15.59 C ATOM 404 CZ TYR A 536 -11.336 -11.047 22.017 1.00 19.28 C ATOM 405 OH TYR A 536 -10.175 -11.757 22.208 1.00 18.99 O ATOM 406 HH TYR A 536 -9.795 -11.534 23.095 1.00 0.00 H ATOM 407 H TYR A 536 -14.232 -6.491 20.218 1.00 0.00 H ATOM 408 N ASN A 537 -16.903 -7.158 18.874 1.00 11.47 N ATOM 409 CA ASN A 537 -18.269 -6.867 18.428 1.00 11.41 C ATOM 410 C ASN A 537 -19.269 -6.753 19.572 1.00 12.31 C ATOM 411 O ASN A 537 -20.365 -7.326 19.527 1.00 13.73 O ATOM 412 CB ASN A 537 -18.745 -7.912 17.409 1.00 12.52 C ATOM 413 CG ASN A 537 -19.975 -7.469 16.662 1.00 19.30 C ATOM 414 OD1 ASN A 537 -20.351 -6.299 16.710 1.00 22.82 O ATOM 415 ND2 ASN A 537 -20.613 -8.399 15.962 1.00 19.53 N ATOM 416 HD22 ASN A 537 -20.258 -9.376 15.951 1.00 0.00 H ATOM 417 HD21 ASN A 537 -21.468 -8.150 15.425 1.00 0.00 H ATOM 418 H ASN A 537 -16.131 -6.533 18.566 1.00 0.00 H ATOM 419 N ARG A 538 -18.902 -5.995 20.597 1.00 11.45 N ATOM 420 CA ARG A 538 -19.799 -5.755 21.720 1.00 12.33 C ATOM 421 C ARG A 538 -20.435 -4.377 21.580 1.00 18.35 C ATOM 422 O ARG A 538 -19.935 -3.387 22.111 1.00 13.34 O ATOM 423 CB ARG A 538 -19.032 -5.849 23.029 1.00 13.58 C ATOM 424 CG ARG A 538 -18.250 -7.140 23.183 1.00 11.19 C ATOM 425 CD ARG A 538 -19.109 -8.389 22.934 1.00 13.27 C ATOM 426 NE ARG A 538 -18.356 -9.601 23.266 1.00 14.00 N ATOM 427 CZ ARG A 538 -18.809 -10.837 23.086 1.00 25.08 C ATOM 428 NH1 ARG A 538 -20.017 -11.033 22.573 1.00 20.69 N ATOM 429 NH2 ARG A 538 -18.052 -11.875 23.419 1.00 20.86 N ATOM 430 HE ARG A 538 -17.404 -9.486 23.669 1.00 0.00 H ATOM 431 HH12 ARG A 538 -20.371 -12.001 22.432 1.00 0.00 H ATOM 432 HH11 ARG A 538 -20.609 -10.219 22.312 1.00 0.00 H ATOM 433 HH22 ARG A 538 -18.406 -12.843 23.278 1.00 0.00 H ATOM 434 HH21 ARG A 538 -17.105 -11.721 23.820 1.00 0.00 H ATOM 435 H ARG A 538 -17.956 -5.564 20.599 1.00 0.00 H ATOM 436 N VAL A 539 -21.546 -4.325 20.862 1.00 14.94 N ATOM 437 CA VAL A 539 -22.132 -3.053 20.471 1.00 11.43 C ATOM 438 C VAL A 539 -22.611 -2.209 21.663 1.00 15.03 C ATOM 439 O VAL A 539 -22.364 -0.998 21.706 1.00 12.75 O ATOM 440 CB VAL A 539 -23.256 -3.287 19.468 1.00 16.94 C ATOM 441 CG1 VAL A 539 -23.984 -1.996 19.172 1.00 17.47 C ATOM 442 CG2 VAL A 539 -22.678 -3.884 18.179 1.00 16.99 C ATOM 443 H VAL A 539 -22.008 -5.210 20.572 1.00 0.00 H ATOM 444 N SER A 540 -23.280 -2.848 22.619 1.00 13.20 N ATOM 445 CA SER A 540 -23.767 -2.135 23.797 1.00 15.79 C ATOM 446 C SER A 540 -22.612 -1.568 24.622 1.00 15.02 C ATOM 447 O SER A 540 -22.700 -0.452 25.134 1.00 14.96 O ATOM 448 CB SER A 540 -24.666 -3.032 24.649 1.00 16.65 C ATOM 449 OG SER A 540 -25.708 -3.579 23.862 1.00 18.35 O ATOM 450 HG SER A 540 -26.279 -4.156 24.428 1.00 0.00 H ATOM 451 H SER A 540 -23.459 -3.868 22.526 1.00 0.00 H ATOM 452 N VAL A 541 -21.525 -2.331 24.734 1.00 12.70 N ATOM 453 CA VAL A 541 -20.333 -1.862 25.437 1.00 11.45 C ATOM 454 C VAL A 541 -19.684 -0.695 24.683 1.00 10.31 C ATOM 455 O VAL A 541 -19.296 0.305 25.295 1.00 11.48 O ATOM 456 CB VAL A 541 -19.283 -2.985 25.650 1.00 11.20 C ATOM 457 CG1 VAL A 541 -18.014 -2.406 26.226 1.00 15.73 C ATOM 458 CG2 VAL A 541 -19.820 -4.068 26.581 1.00 11.40 C ATOM 459 H VAL A 541 -21.525 -3.281 24.312 1.00 0.00 H ATOM 460 N VAL A 542 -19.556 -0.822 23.366 1.00 12.56 N ATOM 461 CA VAL A 542 -19.006 0.267 22.558 1.00 11.91 C ATOM 462 C VAL A 542 -19.828 1.531 22.784 1.00 11.58 C ATOM 463 O VAL A 542 -19.275 2.598 23.022 1.00 15.13 O ATOM 464 CB VAL A 542 -18.990 -0.066 21.051 1.00 12.50 C ATOM 465 CG1 VAL A 542 -18.724 1.196 20.209 1.00 12.81 C ATOM 466 CG2 VAL A 542 -17.942 -1.136 20.752 1.00 10.46 C ATOM 467 H VAL A 542 -19.850 -1.706 22.904 1.00 0.00 H ATOM 468 N GLU A 543 -21.147 1.400 22.723 1.00 11.33 N ATOM 469 CA GLU A 543 -22.022 2.551 22.917 1.00 13.97 C ATOM 470 C GLU A 543 -21.864 3.160 24.304 1.00 12.98 C ATOM 471 O GLU A 543 -21.817 4.382 24.449 1.00 16.70 O ATOM 472 CB GLU A 543 -23.479 2.188 22.609 1.00 13.27 C ATOM 473 CG GLU A 543 -23.714 2.057 21.094 1.00 10.96 C ATOM 474 CD GLU A 543 -24.994 1.335 20.711 1.00 14.81 C ATOM 475 OE1 GLU A 543 -25.275 1.269 19.496 1.00 13.43 O ATOM 476 OE2 GLU A 543 -25.707 0.825 21.601 1.00 13.20 O ATOM 477 H GLU A 543 -21.562 0.465 22.535 1.00 0.00 H ATOM 478 N TYR A 544 -21.753 2.313 25.323 1.00 10.62 N ATOM 479 CA TYR A 544 -21.563 2.815 26.674 1.00 14.37 C ATOM 480 C TYR A 544 -20.221 3.529 26.816 1.00 12.82 C ATOM 481 O TYR A 544 -20.140 4.612 27.389 1.00 16.28 O ATOM 482 CB TYR A 544 -21.670 1.691 27.716 1.00 12.51 C ATOM 483 CG TYR A 544 -21.548 2.227 29.122 1.00 17.91 C ATOM 484 CD1 TYR A 544 -22.659 2.722 29.784 1.00 23.34 C ATOM 485 CD2 TYR A 544 -20.311 2.283 29.772 1.00 19.93 C ATOM 486 CE1 TYR A 544 -22.559 3.238 31.062 1.00 25.81 C ATOM 487 CE2 TYR A 544 -20.200 2.805 31.052 1.00 19.02 C ATOM 488 CZ TYR A 544 -21.333 3.280 31.686 1.00 24.05 C ATOM 489 OH TYR A 544 -21.248 3.797 32.955 1.00 29.14 O ATOM 490 HH TYR A 544 -22.146 4.088 33.253 1.00 0.00 H ATOM 491 H TYR A 544 -21.802 1.288 25.153 1.00 0.00 H ATOM 492 N LEU A 545 -19.165 2.919 26.297 1.00 13.55 N ATOM 493 CA LEU A 545 -17.831 3.499 26.406 1.00 14.00 C ATOM 494 C LEU A 545 -17.743 4.848 25.683 1.00 14.01 C ATOM 495 O LEU A 545 -17.194 5.819 26.223 1.00 15.49 O ATOM 496 CB LEU A 545 -16.778 2.523 25.870 1.00 8.79 C ATOM 497 CG LEU A 545 -16.560 1.240 26.679 1.00 10.07 C ATOM 498 CD1 LEU A 545 -15.651 0.311 25.864 1.00 10.59 C ATOM 499 CD2 LEU A 545 -15.928 1.555 28.020 1.00 16.35 C ATOM 500 H LEU A 545 -19.290 2.012 25.804 1.00 0.00 H ATOM 501 N LEU A 546 -18.305 4.921 24.482 1.00 14.31 N ATOM 502 CA LEU A 546 -18.287 6.166 23.713 1.00 16.81 C ATOM 503 C LEU A 546 -19.014 7.290 24.448 1.00 17.80 C ATOM 504 O LEU A 546 -18.661 8.459 24.299 1.00 22.53 O ATOM 505 CB LEU A 546 -18.895 5.967 22.322 1.00 16.68 C ATOM 506 CG LEU A 546 -18.086 5.051 21.410 1.00 20.71 C ATOM 507 CD1 LEU A 546 -18.713 4.911 20.036 1.00 20.43 C ATOM 508 CD2 LEU A 546 -16.701 5.618 21.294 1.00 20.64 C ATOM 509 H LEU A 546 -18.766 4.079 24.081 1.00 0.00 H ATOM 510 N GLN A 547 -20.019 6.927 25.242 1.00 17.88 N ATOM 511 CA GLN A 547 -20.796 7.900 26.018 1.00 17.71 C ATOM 512 C GLN A 547 -20.144 8.266 27.351 1.00 21.56 C ATOM 513 O GLN A 547 -20.508 9.269 27.974 1.00 20.48 O ATOM 514 CB GLN A 547 -22.213 7.366 26.273 1.00 24.42 C ATOM 515 H GLN A 547 -20.262 5.918 25.315 1.00 0.00 H ATOM 516 N HIS A 548 -19.187 7.463 27.801 1.00 15.88 N ATOM 517 CA HIS A 548 -18.597 7.683 29.122 1.00 17.32 C ATOM 518 C HIS A 548 -17.073 7.829 29.143 1.00 14.12 C ATOM 519 O HIS A 548 -16.416 7.369 30.077 1.00 18.23 O ATOM 520 CB HIS A 548 -19.056 6.610 30.113 1.00 16.62 C ATOM 521 CG HIS A 548 -20.516 6.676 30.423 1.00 21.52 C ATOM 522 ND1 HIS A 548 -21.483 6.147 29.587 1.00 26.42 N ATOM 523 CD2 HIS A 548 -21.186 7.252 31.451 1.00 23.51 C ATOM 524 CE1 HIS A 548 -22.677 6.374 30.102 1.00 26.62 C ATOM 525 NE2 HIS A 548 -22.527 7.040 31.230 1.00 27.12 N ATOM 526 H HIS A 548 -18.855 6.673 27.211 1.00 0.00 H ATOM 527 N GLY A 549 -16.517 8.496 28.136 1.00 14.85 N ATOM 528 CA GLY A 549 -15.126 8.918 28.220 1.00 16.72 C ATOM 529 C GLY A 549 -14.075 8.141 27.447 1.00 13.57 C ATOM 530 O GLY A 549 -12.898 8.467 27.534 1.00 16.83 O ATOM 531 H GLY A 549 -17.076 8.717 27.287 1.00 0.00 H ATOM 532 N ALA A 550 -14.479 7.120 26.698 1.00 15.14 N ATOM 533 CA ALA A 550 -13.520 6.387 25.864 1.00 14.20 C ATOM 534 C ALA A 550 -13.049 7.257 24.710 1.00 16.35 C ATOM 535 O ALA A 550 -13.819 8.041 24.150 1.00 15.71 O ATOM 536 CB ALA A 550 -14.138 5.102 25.324 1.00 15.63 C ATOM 537 H ALA A 550 -15.480 6.839 26.703 1.00 0.00 H ATOM 538 N ASP A 551 -11.777 7.106 24.357 1.00 14.70 N ATOM 539 CA ASP A 551 -11.180 7.841 23.254 1.00 12.97 C ATOM 540 C ASP A 551 -11.240 7.019 21.966 1.00 17.18 C ATOM 541 O ASP A 551 -10.564 5.982 21.835 1.00 15.45 O ATOM 542 CB ASP A 551 -9.731 8.189 23.615 1.00 16.22 C ATOM 543 CG ASP A 551 -9.026 8.987 22.533 1.00 25.37 C ATOM 544 OD1 ASP A 551 -9.676 9.366 21.538 1.00 22.14 O ATOM 545 OD2 ASP A 551 -7.813 9.242 22.689 1.00 31.49 O ATOM 546 H ASP A 551 -11.186 6.437 24.890 1.00 0.00 H ATOM 547 N VAL A 552 -12.054 7.497 21.025 1.00 12.75 N ATOM 548 CA VAL A 552 -12.213 6.852 19.720 1.00 13.70 C ATOM 549 C VAL A 552 -10.914 6.819 18.946 1.00 15.61 C ATOM 550 O VAL A 552 -10.738 6.006 18.044 1.00 15.62 O ATOM 551 CB VAL A 552 -13.229 7.581 18.816 1.00 17.28 C ATOM 552 CG1 VAL A 552 -14.617 7.421 19.332 1.00 15.24 C ATOM 553 CG2 VAL A 552 -12.884 9.049 18.701 1.00 16.41 C ATOM 554 H VAL A 552 -12.597 8.361 21.225 1.00 0.00 H ATOM 555 N HIS A 553 -9.984 7.699 19.306 1.00 13.09 N ATOM 556 CA HIS A 553 -8.737 7.833 18.554 1.00 18.15 C ATOM 557 C HIS A 553 -7.529 7.112 19.153 1.00 20.24 C ATOM 558 O HIS A 553 -6.427 7.230 18.622 1.00 18.73 O ATOM 559 CB HIS A 553 -8.392 9.314 18.383 1.00 19.14 C ATOM 560 CG HIS A 553 -9.508 10.123 17.798 1.00 18.68 C ATOM 561 ND1 HIS A 553 -9.962 9.928 16.510 1.00 18.92 N ATOM 562 CD2 HIS A 553 -10.264 11.110 18.328 1.00 18.46 C ATOM 563 CE1 HIS A 553 -10.953 10.775 16.271 1.00 23.31 C ATOM 564 NE2 HIS A 553 -11.160 11.497 17.350 1.00 18.28 N ATOM 565 H HIS A 553 -10.147 8.303 20.137 1.00 0.00 H ATOM 566 N ALA A 554 -7.728 6.372 20.242 1.00 15.80 N ATOM 567 CA ALA A 554 -6.607 5.738 20.929 1.00 14.34 C ATOM 568 C ALA A 554 -5.932 4.702 20.038 1.00 15.33 C ATOM 569 O ALA A 554 -6.607 3.979 19.308 1.00 11.45 O ATOM 570 CB ALA A 554 -7.069 5.101 22.231 1.00 14.23 C ATOM 571 H ALA A 554 -8.693 6.244 20.607 1.00 0.00 H ATOM 572 N LYS A 555 -4.601 4.641 20.092 1.00 13.08 N ATOM 573 CA LYS A 555 -3.849 3.667 19.305 1.00 16.38 C ATOM 574 C LYS A 555 -3.311 2.560 20.195 1.00 15.33 C ATOM 575 O LYS A 555 -2.877 2.824 21.323 1.00 18.58 O ATOM 576 CB LYS A 555 -2.679 4.355 18.588 1.00 16.39 C ATOM 577 CG LYS A 555 -3.114 5.466 17.631 1.00 19.22 C ATOM 578 CD LYS A 555 -1.915 6.191 17.027 1.00 23.70 C ATOM 579 CE LYS A 555 -2.355 7.419 16.232 1.00 33.06 C ATOM 580 NZ LYS A 555 -3.188 7.048 15.059 1.00 23.61 N ATOM 581 HZ1 LYS A 555 -2.640 6.429 14.428 1.00 0.00 H ATOM 582 HZ2 LYS A 555 -4.039 6.547 15.384 1.00 0.00 H ATOM 583 HZ3 LYS A 555 -3.466 7.909 14.546 1.00 0.00 H ATOM 584 H LYS A 555 -4.087 5.302 20.709 1.00 0.00 H ATOM 585 N ASP A 556 -3.318 1.325 19.687 1.00 11.72 N ATOM 586 CA ASP A 556 -2.631 0.245 20.389 1.00 12.37 C ATOM 587 C ASP A 556 -1.157 0.223 19.969 1.00 12.85 C ATOM 588 O ASP A 556 -0.705 1.136 19.267 1.00 15.83 O ATOM 589 CB ASP A 556 -3.342 -1.112 20.211 1.00 12.70 C ATOM 590 CG ASP A 556 -3.132 -1.738 18.831 1.00 15.90 C ATOM 591 OD1 ASP A 556 -2.371 -1.204 17.988 1.00 16.53 O ATOM 592 OD2 ASP A 556 -3.730 -2.812 18.592 1.00 17.66 O ATOM 593 H ASP A 556 -3.812 1.133 18.792 1.00 0.00 H ATOM 594 N LYS A 557 -0.407 -0.799 20.383 1.00 10.59 N ATOM 595 CA LYS A 557 1.044 -0.782 20.172 1.00 12.86 C ATOM 596 C LYS A 557 1.437 -0.765 18.692 1.00 14.67 C ATOM 597 O LYS A 557 2.513 -0.284 18.335 1.00 15.07 O ATOM 598 CB LYS A 557 1.719 -1.956 20.889 1.00 15.99 C ATOM 599 CG LYS A 557 1.592 -3.282 20.168 1.00 20.50 C ATOM 600 CD LYS A 557 2.377 -4.367 20.889 1.00 26.18 C ATOM 601 CE LYS A 557 2.361 -5.668 20.098 1.00 26.39 C ATOM 602 NZ LYS A 557 2.860 -6.793 20.934 1.00 33.64 N ATOM 603 HZ1 LYS A 557 3.835 -6.593 21.236 1.00 0.00 H ATOM 604 HZ2 LYS A 557 2.251 -6.898 21.771 1.00 0.00 H ATOM 605 HZ3 LYS A 557 2.842 -7.671 20.378 1.00 0.00 H ATOM 606 H LYS A 557 -0.853 -1.610 20.857 1.00 0.00 H ATOM 607 N GLY A 558 0.560 -1.280 17.834 1.00 14.35 N ATOM 608 CA GLY A 558 0.825 -1.323 16.403 1.00 15.71 C ATOM 609 C GLY A 558 0.226 -0.134 15.676 1.00 11.79 C ATOM 610 O GLY A 558 0.266 -0.056 14.448 1.00 17.02 O ATOM 611 H GLY A 558 -0.338 -1.662 18.195 1.00 0.00 H ATOM 612 N GLY A 559 -0.333 0.799 16.441 1.00 14.69 N ATOM 613 CA GLY A 559 -0.923 1.995 15.873 1.00 14.54 C ATOM 614 C GLY A 559 -2.353 1.797 15.399 1.00 12.41 C ATOM 615 O GLY A 559 -2.889 2.642 14.664 1.00 11.81 O ATOM 616 H GLY A 559 -0.347 0.667 17.473 1.00 0.00 H ATOM 617 N LEU A 560 -2.979 0.687 15.795 1.00 9.89 N ATOM 618 CA LEU A 560 -4.364 0.443 15.385 1.00 10.67 C ATOM 619 C LEU A 560 -5.310 1.255 16.250 1.00 12.54 C ATOM 620 O LEU A 560 -5.149 1.295 17.464 1.00 12.42 O ATOM 621 CB LEU A 560 -4.745 -1.036 15.525 1.00 9.70 C ATOM 622 CG LEU A 560 -3.955 -2.019 14.659 1.00 16.95 C ATOM 623 CD1 LEU A 560 -4.346 -3.429 15.030 1.00 22.94 C ATOM 624 CD2 LEU A 560 -4.230 -1.793 13.182 1.00 18.06 C ATOM 625 H LEU A 560 -2.484 -0.004 16.394 1.00 0.00 H ATOM 626 N VAL A 561 -6.306 1.882 15.631 1.00 11.17 N ATOM 627 CA VAL A 561 -7.374 2.526 16.393 1.00 9.43 C ATOM 628 C VAL A 561 -8.537 1.545 16.466 1.00 14.15 C ATOM 629 O VAL A 561 -8.531 0.541 15.758 1.00 11.46 O ATOM 630 CB VAL A 561 -7.809 3.837 15.743 1.00 9.89 C ATOM 631 CG1 VAL A 561 -6.626 4.784 15.681 1.00 16.72 C ATOM 632 CG2 VAL A 561 -8.366 3.581 14.342 1.00 14.24 C ATOM 633 H VAL A 561 -6.325 1.915 14.592 1.00 0.00 H ATOM 634 N PRO A 562 -9.519 1.799 17.344 1.00 10.59 N ATOM 635 CA PRO A 562 -10.604 0.813 17.420 1.00 12.94 C ATOM 636 C PRO A 562 -11.296 0.586 16.075 1.00 10.08 C ATOM 637 O PRO A 562 -11.794 -0.519 15.842 1.00 12.65 O ATOM 638 CB PRO A 562 -11.540 1.423 18.468 1.00 10.78 C ATOM 639 CG PRO A 562 -10.580 2.154 19.385 1.00 12.03 C ATOM 640 CD PRO A 562 -9.610 2.792 18.430 1.00 10.07 C ATOM 641 N LEU A 563 -11.300 1.582 15.187 1.00 8.85 N ATOM 642 CA LEU A 563 -11.890 1.381 13.864 1.00 10.41 C ATOM 643 C LEU A 563 -11.173 0.282 13.083 1.00 10.99 C ATOM 644 O LEU A 563 -11.818 -0.472 12.351 1.00 9.86 O ATOM 645 CB LEU A 563 -11.940 2.687 13.046 1.00 11.23 C ATOM 646 CG LEU A 563 -12.625 2.620 11.671 1.00 11.37 C ATOM 647 CD1 LEU A 563 -14.071 2.096 11.754 1.00 12.09 C ATOM 648 CD2 LEU A 563 -12.621 3.997 11.009 1.00 13.79 C ATOM 649 H LEU A 563 -10.883 2.502 15.436 1.00 0.00 H ATOM 650 N HIS A 564 -9.849 0.178 13.235 1.00 15.16 N ATOM 651 CA HIS A 564 -9.105 -0.912 12.596 1.00 10.59 C ATOM 652 C HIS A 564 -9.597 -2.267 13.088 1.00 12.09 C ATOM 653 O HIS A 564 -9.771 -3.190 12.296 1.00 12.99 O ATOM 654 CB HIS A 564 -7.605 -0.834 12.908 1.00 11.79 C ATOM 655 CG HIS A 564 -6.853 0.175 12.097 1.00 13.29 C ATOM 656 ND1 HIS A 564 -6.317 1.325 12.652 1.00 11.32 N ATOM 657 CD2 HIS A 564 -6.508 0.196 10.791 1.00 15.72 C ATOM 658 CE1 HIS A 564 -5.688 2.006 11.719 1.00 16.75 C ATOM 659 NE2 HIS A 564 -5.783 1.349 10.574 1.00 12.97 N ATOM 660 H HIS A 564 -9.341 0.878 13.813 1.00 0.00 H ATOM 661 N ASN A 565 -9.767 -2.402 14.401 1.00 11.28 N ATOM 662 CA ASN A 565 -10.250 -3.664 14.968 1.00 14.32 C ATOM 663 C ASN A 565 -11.621 -4.035 14.407 1.00 15.03 C ATOM 664 O ASN A 565 -11.850 -5.183 14.015 1.00 14.53 O ATOM 665 CB ASN A 565 -10.308 -3.602 16.505 1.00 13.67 C ATOM 666 CG ASN A 565 -8.956 -3.272 17.139 1.00 23.50 C ATOM 667 OD1 ASN A 565 -8.380 -2.212 16.884 1.00 28.62 O ATOM 668 ND2 ASN A 565 -8.463 -4.165 17.989 1.00 17.40 N ATOM 669 HD22 ASN A 565 -8.982 -5.047 18.176 1.00 0.00 H ATOM 670 HD21 ASN A 565 -7.558 -3.983 18.468 1.00 0.00 H ATOM 671 H ASN A 565 -9.555 -1.603 15.032 1.00 0.00 H ATOM 672 N ALA A 566 -12.532 -3.065 14.354 1.00 13.48 N ATOM 673 CA ALA A 566 -13.874 -3.339 13.845 1.00 14.23 C ATOM 674 C ALA A 566 -13.828 -3.798 12.389 1.00 12.83 C ATOM 675 O ALA A 566 -14.547 -4.722 11.990 1.00 14.79 O ATOM 676 CB ALA A 566 -14.769 -2.120 13.996 1.00 12.39 C ATOM 677 H ALA A 566 -12.287 -2.107 14.677 1.00 0.00 H ATOM 678 N CYS A 567 -12.984 -3.151 11.593 1.00 12.19 N ATOM 679 CA CYS A 567 -12.905 -3.464 10.172 1.00 13.50 C ATOM 680 C CYS A 567 -12.223 -4.797 9.910 1.00 15.87 C ATOM 681 O CYS A 567 -12.654 -5.554 9.043 1.00 17.40 O ATOM 682 CB CYS A 567 -12.209 -2.338 9.408 1.00 12.85 C ATOM 683 SG CYS A 567 -13.238 -0.852 9.365 1.00 16.80 S ATOM 684 H CYS A 567 -12.371 -2.410 11.990 1.00 0.00 H ATOM 685 N SER A 568 -11.168 -5.074 10.670 1.00 14.17 N ATOM 686 CA SER A 568 -10.403 -6.309 10.544 1.00 18.18 C ATOM 687 C SER A 568 -11.201 -7.552 10.876 1.00 18.35 C ATOM 688 O SER A 568 -10.978 -8.611 10.293 1.00 18.83 O ATOM 689 CB SER A 568 -9.189 -6.263 11.469 1.00 20.44 C ATOM 690 OG SER A 568 -8.326 -5.223 11.077 1.00 32.71 O ATOM 691 HG SER A 568 -8.808 -4.360 11.127 1.00 0.00 H ATOM 692 H SER A 568 -10.875 -4.379 11.386 1.00 0.00 H ATOM 693 N TYR A 569 -12.112 -7.428 11.835 1.00 12.66 N ATOM 694 CA TYR A 569 -12.893 -8.568 12.286 1.00 14.59 C ATOM 695 C TYR A 569 -14.310 -8.527 11.754 1.00 17.46 C ATOM 696 O TYR A 569 -15.133 -9.351 12.138 1.00 14.88 O ATOM 697 CB TYR A 569 -12.899 -8.656 13.813 1.00 13.66 C ATOM 698 CG TYR A 569 -11.573 -9.085 14.364 1.00 13.42 C ATOM 699 CD1 TYR A 569 -11.186 -10.416 14.311 1.00 17.79 C ATOM 700 CD2 TYR A 569 -10.696 -8.165 14.920 1.00 15.88 C ATOM 701 CE1 TYR A 569 -9.972 -10.823 14.797 1.00 17.71 C ATOM 702 CE2 TYR A 569 -9.469 -8.565 15.416 1.00 17.97 C ATOM 703 CZ TYR A 569 -9.116 -9.900 15.349 1.00 18.24 C ATOM 704 OH TYR A 569 -7.910 -10.333 15.840 1.00 20.66 O ATOM 705 HH TYR A 569 -7.855 -10.126 16.807 1.00 0.00 H ATOM 706 H TYR A 569 -12.269 -6.497 12.272 1.00 0.00 H ATOM 707 N GLY A 570 -14.584 -7.558 10.883 1.00 13.54 N ATOM 708 CA GLY A 570 -15.810 -7.519 10.102 1.00 15.92 C ATOM 709 C GLY A 570 -17.067 -7.159 10.862 1.00 13.77 C ATOM 710 O GLY A 570 -18.142 -7.683 10.580 1.00 15.15 O ATOM 711 H GLY A 570 -13.890 -6.794 10.755 1.00 0.00 H ATOM 712 N HIS A 571 -16.934 -6.254 11.826 1.00 9.54 N ATOM 713 CA HIS A 571 -18.034 -5.889 12.701 1.00 12.03 C ATOM 714 C HIS A 571 -18.624 -4.565 12.231 1.00 11.22 C ATOM 715 O HIS A 571 -18.126 -3.491 12.574 1.00 10.64 O ATOM 716 CB HIS A 571 -17.517 -5.767 14.139 1.00 13.98 C ATOM 717 CG HIS A 571 -16.862 -7.020 14.648 1.00 12.15 C ATOM 718 ND1 HIS A 571 -17.294 -8.279 14.303 1.00 16.72 N ATOM 719 CD2 HIS A 571 -15.800 -7.195 15.479 1.00 11.29 C ATOM 720 CE1 HIS A 571 -16.533 -9.185 14.907 1.00 13.31 C ATOM 721 NE2 HIS A 571 -15.627 -8.551 15.623 1.00 11.35 N ATOM 722 H HIS A 571 -16.012 -5.792 11.958 1.00 0.00 H ATOM 723 N TYR A 572 -19.688 -4.642 11.448 1.00 11.84 N ATOM 724 CA TYR A 572 -20.237 -3.455 10.814 1.00 11.20 C ATOM 725 C TYR A 572 -20.811 -2.430 11.787 1.00 13.33 C ATOM 726 O TYR A 572 -20.526 -1.239 11.669 1.00 12.11 O ATOM 727 CB TYR A 572 -21.303 -3.819 9.760 1.00 12.62 C ATOM 728 CG TYR A 572 -21.996 -2.571 9.295 1.00 9.04 C ATOM 729 CD1 TYR A 572 -21.423 -1.765 8.317 1.00 11.27 C ATOM 730 CD2 TYR A 572 -23.191 -2.163 9.873 1.00 13.14 C ATOM 731 CE1 TYR A 572 -22.030 -0.583 7.920 1.00 12.20 C ATOM 732 CE2 TYR A 572 -23.799 -0.995 9.489 1.00 15.22 C ATOM 733 CZ TYR A 572 -23.215 -0.205 8.518 1.00 15.35 C ATOM 734 OH TYR A 572 -23.839 0.963 8.146 1.00 15.57 O ATOM 735 HH TYR A 572 -23.303 1.414 7.447 1.00 0.00 H ATOM 736 H TYR A 572 -20.138 -5.565 11.284 1.00 0.00 H ATOM 737 N GLU A 573 -21.678 -2.867 12.696 1.00 12.53 N ATOM 738 CA GLU A 573 -22.362 -1.915 13.567 1.00 15.24 C ATOM 739 C GLU A 573 -21.350 -1.123 14.379 1.00 15.29 C ATOM 740 O GLU A 573 -21.474 0.093 14.520 1.00 11.78 O ATOM 741 CB GLU A 573 -23.319 -2.619 14.516 1.00 15.15 C ATOM 742 CG GLU A 573 -24.523 -3.263 13.864 1.00 20.58 C ATOM 743 CD GLU A 573 -25.226 -4.187 14.843 1.00 36.95 C ATOM 744 OE1 GLU A 573 -24.917 -5.400 14.841 1.00 41.44 O ATOM 745 OE2 GLU A 573 -26.051 -3.693 15.641 1.00 33.64 O ATOM 746 H GLU A 573 -21.869 -3.885 12.786 1.00 0.00 H ATOM 747 N VAL A 574 -20.344 -1.814 14.908 1.00 14.95 N ATOM 748 CA VAL A 574 -19.258 -1.133 15.607 1.00 12.15 C ATOM 749 C VAL A 574 -18.545 -0.121 14.699 1.00 15.44 C ATOM 750 O VAL A 574 -18.307 1.020 15.102 1.00 10.01 O ATOM 751 CB VAL A 574 -18.246 -2.127 16.211 1.00 14.96 C ATOM 752 CG1 VAL A 574 -17.056 -1.378 16.777 1.00 14.78 C ATOM 753 CG2 VAL A 574 -18.907 -2.960 17.302 1.00 16.82 C ATOM 754 H VAL A 574 -20.331 -2.850 14.823 1.00 0.00 H ATOM 755 N ALA A 575 -18.222 -0.519 13.471 1.00 12.18 N ATOM 756 CA ALA A 575 -17.546 0.402 12.556 1.00 15.11 C ATOM 757 C ALA A 575 -18.385 1.660 12.303 1.00 17.28 C ATOM 758 O ALA A 575 -17.865 2.773 12.338 1.00 13.49 O ATOM 759 CB ALA A 575 -17.168 -0.283 11.242 1.00 12.82 C ATOM 760 H ALA A 575 -18.450 -1.485 13.161 1.00 0.00 H ATOM 761 N GLU A 576 -19.684 1.483 12.083 1.00 11.95 N ATOM 762 CA GLU A 576 -20.584 2.620 11.873 1.00 14.73 C ATOM 763 C GLU A 576 -20.647 3.545 13.090 1.00 14.65 C ATOM 764 O GLU A 576 -20.638 4.772 12.943 1.00 14.04 O ATOM 765 CB GLU A 576 -21.982 2.131 11.491 1.00 15.35 C ATOM 766 CG GLU A 576 -23.086 3.187 11.592 1.00 14.73 C ATOM 767 CD GLU A 576 -23.029 4.237 10.496 1.00 23.16 C ATOM 768 OE2 GLU A 576 -22.749 3.876 9.336 1.00 25.88 O ATOM 769 H GLU A 576 -20.069 0.517 12.059 1.00 0.00 H ATOM 770 N LEU A 577 -20.708 2.960 14.284 1.00 10.40 N ATOM 771 CA LEU A 577 -20.764 3.740 15.514 1.00 13.84 C ATOM 772 C LEU A 577 -19.490 4.538 15.677 1.00 14.97 C ATOM 773 O LEU A 577 -19.535 5.724 16.007 1.00 13.58 O ATOM 774 CB LEU A 577 -20.967 2.838 16.742 1.00 12.93 C ATOM 775 CG LEU A 577 -22.378 2.281 16.908 1.00 13.82 C ATOM 776 CD1 LEU A 577 -22.348 1.138 17.912 1.00 11.19 C ATOM 777 CD2 LEU A 577 -23.348 3.384 17.352 1.00 15.50 C ATOM 778 H LEU A 577 -20.716 1.922 14.341 1.00 0.00 H ATOM 779 N LEU A 578 -18.345 3.895 15.455 1.00 12.15 N ATOM 780 CA LEU A 578 -17.080 4.597 15.621 1.00 14.16 C ATOM 781 C LEU A 578 -16.970 5.738 14.620 1.00 15.05 C ATOM 782 O LEU A 578 -16.518 6.824 14.971 1.00 17.08 O ATOM 783 CB LEU A 578 -15.883 3.651 15.503 1.00 14.00 C ATOM 784 CG LEU A 578 -15.809 2.549 16.565 1.00 10.88 C ATOM 785 CD1 LEU A 578 -14.787 1.519 16.119 1.00 11.33 C ATOM 786 CD2 LEU A 578 -15.438 3.105 17.928 1.00 12.11 C ATOM 787 H LEU A 578 -18.354 2.896 15.165 1.00 0.00 H ATOM 788 N VAL A 579 -17.399 5.503 13.381 1.00 10.71 N ATOM 789 CA VAL A 579 -17.380 6.563 12.374 1.00 12.34 C ATOM 790 C VAL A 579 -18.343 7.698 12.728 1.00 18.28 C ATOM 791 O VAL A 579 -17.996 8.870 12.595 1.00 19.01 O ATOM 792 CB VAL A 579 -17.671 6.031 10.954 1.00 15.54 C ATOM 793 CG1 VAL A 579 -17.818 7.191 9.966 1.00 17.26 C ATOM 794 CG2 VAL A 579 -16.552 5.106 10.502 1.00 21.00 C ATOM 795 H VAL A 579 -17.750 4.558 13.128 1.00 0.00 H ATOM 796 N LYS A 580 -19.542 7.359 13.194 1.00 16.48 N ATOM 797 CA LYS A 580 -20.500 8.380 13.608 1.00 14.24 C ATOM 798 C LYS A 580 -19.959 9.198 14.787 1.00 18.34 C ATOM 799 O LYS A 580 -20.299 10.375 14.961 1.00 20.27 O ATOM 800 CB LYS A 580 -21.856 7.744 13.964 1.00 18.41 C ATOM 801 H LYS A 580 -19.800 6.354 13.264 1.00 0.00 H ATOM 802 N HIS A 581 -19.097 8.579 15.587 1.00 14.02 N ATOM 803 CA HIS A 581 -18.511 9.262 16.735 1.00 15.53 C ATOM 804 C HIS A 581 -17.133 9.843 16.426 1.00 17.12 C ATOM 805 O HIS A 581 -16.359 10.134 17.334 1.00 17.83 O ATOM 806 CB HIS A 581 -18.453 8.326 17.949 1.00 15.21 C ATOM 807 CG HIS A 581 -19.784 8.111 18.609 1.00 14.34 C ATOM 808 ND1 HIS A 581 -20.693 7.177 18.172 1.00 19.69 N ATOM 809 CD2 HIS A 581 -20.353 8.725 19.672 1.00 18.43 C ATOM 810 CE1 HIS A 581 -21.772 7.219 18.943 1.00 22.82 C ATOM 811 NE2 HIS A 581 -21.586 8.143 19.864 1.00 26.37 N ATOM 812 H HIS A 581 -18.836 7.591 15.391 1.00 0.00 H ATOM 813 N GLY A 582 -16.826 10.015 15.144 1.00 16.73 N ATOM 814 CA GLY A 582 -15.647 10.777 14.769 1.00 18.33 C ATOM 815 C GLY A 582 -14.387 10.013 14.407 1.00 21.08 C ATOM 816 O GLY A 582 -13.344 10.628 14.174 1.00 20.85 O ATOM 817 H GLY A 582 -17.432 9.602 14.406 1.00 0.00 H ATOM 818 N ALA A 583 -14.454 8.687 14.347 1.00 17.16 N ATOM 819 CA ALA A 583 -13.275 7.935 13.922 1.00 17.37 C ATOM 820 C ALA A 583 -12.789 8.486 12.575 1.00 19.87 C ATOM 821 O ALA A 583 -13.598 8.834 11.713 1.00 20.47 O ATOM 822 CB ALA A 583 -13.581 6.453 13.812 1.00 15.85 C ATOM 823 H ALA A 583 -15.333 8.191 14.599 1.00 0.00 H ATOM 824 N VAL A 584 -11.474 8.601 12.419 1.00 19.89 N ATOM 825 CA VAL A 584 -10.887 9.110 11.184 1.00 21.18 C ATOM 826 C VAL A 584 -10.788 7.941 10.219 1.00 18.43 C ATOM 827 O VAL A 584 -10.065 6.986 10.487 1.00 21.27 O ATOM 828 CB VAL A 584 -9.484 9.690 11.441 1.00 21.33 C ATOM 829 CG1 VAL A 584 -8.851 10.207 10.135 1.00 22.26 C ATOM 830 CG2 VAL A 584 -9.544 10.791 12.500 1.00 26.64 C ATOM 831 H VAL A 584 -10.846 8.320 13.199 1.00 0.00 H ATOM 832 N VAL A 585 -11.503 8.000 9.099 1.00 15.40 N ATOM 833 CA VAL A 585 -11.610 6.826 8.231 1.00 19.15 C ATOM 834 C VAL A 585 -10.333 6.525 7.451 1.00 20.26 C ATOM 835 O VAL A 585 -10.155 5.409 6.954 1.00 17.82 O ATOM 836 CB VAL A 585 -12.813 6.921 7.268 1.00 20.29 C ATOM 837 CG1 VAL A 585 -14.103 7.143 8.070 1.00 16.70 C ATOM 838 CG2 VAL A 585 -12.609 8.049 6.263 1.00 22.31 C ATOM 839 H VAL A 585 -11.988 8.883 8.839 1.00 0.00 H ATOM 840 N ASN A 586 -9.455 7.517 7.339 1.00 18.50 N ATOM 841 CA ASN A 586 -8.217 7.354 6.576 1.00 22.27 C ATOM 842 C ASN A 586 -6.992 7.178 7.476 1.00 23.40 C ATOM 843 O ASN A 586 -5.854 7.246 7.005 1.00 18.86 O ATOM 844 CB ASN A 586 -7.999 8.539 5.624 1.00 22.09 C ATOM 845 CG ASN A 586 -8.844 8.445 4.362 1.00 20.02 C ATOM 846 OD1 ASN A 586 -8.926 7.387 3.729 1.00 24.70 O ATOM 847 ND2 ASN A 586 -9.479 9.554 3.993 1.00 30.07 N ATOM 848 HD22 ASN A 586 -9.380 10.422 4.557 1.00 0.00 H ATOM 849 HD21 ASN A 586 -10.074 9.553 3.140 1.00 0.00 H ATOM 850 H ASN A 586 -9.652 8.427 7.803 1.00 0.00 H ATOM 851 N VAL A 587 -7.227 6.950 8.765 1.00 16.31 N ATOM 852 CA VAL A 587 -6.129 6.763 9.713 1.00 14.54 C ATOM 853 C VAL A 587 -5.268 5.557 9.322 1.00 16.96 C ATOM 854 O VAL A 587 -5.781 4.530 8.897 1.00 17.70 O ATOM 855 CB VAL A 587 -6.643 6.620 11.169 1.00 17.21 C ATOM 856 CG1 VAL A 587 -7.514 5.380 11.327 1.00 20.46 C ATOM 857 CG2 VAL A 587 -5.481 6.598 12.152 1.00 25.41 C ATOM 858 H VAL A 587 -8.209 6.904 9.105 1.00 0.00 H ATOM 859 N ALA A 588 -3.954 5.699 9.419 1.00 15.22 N ATOM 860 CA ALA A 588 -3.050 4.610 9.069 1.00 15.61 C ATOM 861 C ALA A 588 -2.402 4.047 10.328 1.00 15.57 C ATOM 862 O ALA A 588 -2.083 4.799 11.252 1.00 15.49 O ATOM 863 CB ALA A 588 -1.979 5.105 8.095 1.00 19.40 C ATOM 864 H ALA A 588 -3.561 6.603 9.751 1.00 0.00 H ATOM 865 N ASP A 589 -2.216 2.730 10.375 1.00 12.29 N ATOM 866 CA ASP A 589 -1.420 2.130 11.442 1.00 13.38 C ATOM 867 C ASP A 589 0.076 2.258 11.116 1.00 18.00 C ATOM 868 O ASP A 589 0.456 2.987 10.189 1.00 15.78 O ATOM 869 CB ASP A 589 -1.846 0.672 11.706 1.00 15.85 C ATOM 870 CG ASP A 589 -1.368 -0.313 10.620 1.00 19.75 C ATOM 871 OD1 ASP A 589 -0.867 0.117 9.561 1.00 14.72 O ATOM 872 OD2 ASP A 589 -1.513 -1.543 10.820 1.00 20.63 O ATOM 873 H ASP A 589 -2.641 2.123 9.645 1.00 0.00 H ATOM 874 N LEU A 590 0.920 1.570 11.876 1.00 12.79 N ATOM 875 CA LEU A 590 2.371 1.641 11.661 1.00 15.75 C ATOM 876 C LEU A 590 2.778 1.164 10.272 1.00 14.02 C ATOM 877 O LEU A 590 3.740 1.675 9.683 1.00 13.56 O ATOM 878 CB LEU A 590 3.119 0.841 12.738 1.00 15.06 C ATOM 879 CG LEU A 590 3.130 1.439 14.144 1.00 15.07 C ATOM 880 CD1 LEU A 590 3.961 0.589 15.099 1.00 14.59 C ATOM 881 CD2 LEU A 590 3.680 2.840 14.103 1.00 16.79 C ATOM 882 H LEU A 590 0.546 0.969 12.638 1.00 0.00 H ATOM 883 N TRP A 591 2.024 0.202 9.747 1.00 12.20 N ATOM 884 CA TRP A 591 2.283 -0.398 8.444 1.00 11.46 C ATOM 885 C TRP A 591 1.632 0.380 7.304 1.00 13.15 C ATOM 886 O TRP A 591 1.681 -0.058 6.163 1.00 12.80 O ATOM 887 CB TRP A 591 1.717 -1.817 8.401 1.00 12.29 C ATOM 888 CG TRP A 591 2.316 -2.782 9.391 1.00 13.45 C ATOM 889 CD1 TRP A 591 2.013 -2.893 10.718 1.00 18.29 C ATOM 890 CD2 TRP A 591 3.287 -3.790 9.111 1.00 16.95 C ATOM 891 NE1 TRP A 591 2.752 -3.904 11.286 1.00 13.58 N ATOM 892 CE2 TRP A 591 3.540 -4.474 10.320 1.00 20.26 C ATOM 893 CE3 TRP A 591 3.980 -4.179 7.959 1.00 16.77 C ATOM 894 CZ2 TRP A 591 4.462 -5.522 10.406 1.00 14.95 C ATOM 895 CZ3 TRP A 591 4.888 -5.220 8.045 1.00 20.45 C ATOM 896 CH2 TRP A 591 5.120 -5.881 9.261 1.00 13.59 C ATOM 897 HE1 TRP A 591 2.719 -4.190 12.285 1.00 0.00 H ATOM 898 H TRP A 591 1.208 -0.139 10.294 1.00 0.00 H ATOM 899 N LYS A 592 0.992 1.502 7.629 1.00 11.91 N ATOM 900 CA LYS A 592 0.221 2.301 6.661 1.00 14.14 C ATOM 901 C LYS A 592 -1.032 1.608 6.111 1.00 11.35 C ATOM 902 O LYS A 592 -1.514 1.973 5.036 1.00 12.46 O ATOM 903 CB LYS A 592 1.087 2.822 5.496 1.00 17.15 C ATOM 904 CG LYS A 592 2.352 3.526 5.930 1.00 21.70 C ATOM 905 CD LYS A 592 2.053 4.646 6.911 1.00 23.13 C ATOM 906 CE LYS A 592 2.174 5.999 6.238 1.00 43.68 C ATOM 907 NZ LYS A 592 2.191 7.097 7.247 1.00 50.78 N ATOM 908 HZ1 LYS A 592 1.308 7.075 7.797 1.00 0.00 H ATOM 909 HZ2 LYS A 592 3.002 6.967 7.885 1.00 0.00 H ATOM 910 HZ3 LYS A 592 2.274 8.012 6.760 1.00 0.00 H ATOM 911 H LYS A 592 1.039 1.830 8.615 1.00 0.00 H ATOM 912 N PHE A 593 -1.573 0.634 6.842 1.00 11.93 N ATOM 913 CA PHE A 593 -2.903 0.096 6.510 1.00 14.77 C ATOM 914 C PHE A 593 -3.956 1.031 7.073 1.00 12.83 C ATOM 915 O PHE A 593 -3.843 1.463 8.217 1.00 12.99 O ATOM 916 CB PHE A 593 -3.128 -1.279 7.146 1.00 14.78 C ATOM 917 CG PHE A 593 -2.446 -2.410 6.432 1.00 18.96 C ATOM 918 CD1 PHE A 593 -3.184 -3.485 5.957 1.00 18.21 C ATOM 919 CD2 PHE A 593 -1.066 -2.415 6.267 1.00 17.44 C ATOM 920 CE1 PHE A 593 -2.555 -4.544 5.313 1.00 18.25 C ATOM 921 CE2 PHE A 593 -0.433 -3.462 5.620 1.00 21.61 C ATOM 922 CZ PHE A 593 -1.186 -4.529 5.146 1.00 16.19 C ATOM 923 H PHE A 593 -1.051 0.250 7.655 1.00 0.00 H ATOM 924 N THR A 594 -4.989 1.322 6.283 1.00 15.05 N ATOM 925 CA THR A 594 -6.117 2.127 6.743 1.00 13.57 C ATOM 926 C THR A 594 -7.278 1.170 7.034 1.00 13.48 C ATOM 927 O THR A 594 -7.190 -0.006 6.697 1.00 15.52 O ATOM 928 CB THR A 594 -6.540 3.134 5.670 1.00 13.59 C ATOM 929 OG1 THR A 594 -7.119 2.423 4.573 1.00 14.52 O ATOM 930 CG2 THR A 594 -5.335 3.935 5.181 1.00 13.14 C ATOM 931 HG1 THR A 594 -7.396 3.067 3.873 1.00 0.00 H ATOM 932 H THR A 594 -4.992 0.964 5.307 1.00 0.00 H ATOM 933 N PRO A 595 -8.362 1.657 7.672 1.00 11.77 N ATOM 934 CA PRO A 595 -9.510 0.769 7.887 1.00 13.40 C ATOM 935 C PRO A 595 -10.031 0.153 6.589 1.00 10.52 C ATOM 936 O PRO A 595 -10.512 -0.985 6.591 1.00 14.25 O ATOM 937 CB PRO A 595 -10.548 1.705 8.521 1.00 14.05 C ATOM 938 CG PRO A 595 -9.693 2.667 9.316 1.00 14.32 C ATOM 939 CD PRO A 595 -8.487 2.914 8.439 1.00 14.26 C ATOM 940 N LEU A 596 -9.942 0.892 5.486 1.00 10.71 N ATOM 941 CA LEU A 596 -10.412 0.384 4.201 1.00 11.54 C ATOM 942 C LEU A 596 -9.547 -0.751 3.656 1.00 12.28 C ATOM 943 O LEU A 596 -10.067 -1.659 3.009 1.00 12.98 O ATOM 944 CB LEU A 596 -10.553 1.521 3.173 1.00 12.40 C ATOM 945 CG LEU A 596 -11.196 1.167 1.827 1.00 15.44 C ATOM 946 CD1 LEU A 596 -12.629 0.677 2.016 1.00 10.91 C ATOM 947 CD2 LEU A 596 -11.178 2.352 0.850 1.00 17.02 C ATOM 948 H LEU A 596 -9.531 1.846 5.540 1.00 0.00 H ATOM 949 N HIS A 597 -8.239 -0.708 3.917 1.00 12.42 N ATOM 950 CA HIS A 597 -7.361 -1.836 3.595 1.00 14.03 C ATOM 951 C HIS A 597 -7.865 -3.085 4.293 1.00 16.68 C ATOM 952 O HIS A 597 -7.920 -4.169 3.692 1.00 15.11 O ATOM 953 CB HIS A 597 -5.923 -1.589 4.063 1.00 11.89 C ATOM 954 CG HIS A 597 -5.120 -0.721 3.149 1.00 14.89 C ATOM 955 ND1 HIS A 597 -4.902 0.612 3.390 1.00 14.70 N ATOM 956 CD2 HIS A 597 -4.467 -1.006 1.985 1.00 14.61 C ATOM 957 CE1 HIS A 597 -4.159 1.126 2.419 1.00 15.97 C ATOM 958 NE2 HIS A 597 -3.879 0.158 1.564 1.00 15.18 N ATOM 959 H HIS A 597 -7.835 0.143 4.358 1.00 0.00 H ATOM 960 N GLU A 598 -8.203 -2.927 5.574 1.00 12.29 N ATOM 961 CA GLU A 598 -8.704 -4.028 6.399 1.00 20.21 C ATOM 962 C GLU A 598 -10.049 -4.537 5.891 1.00 16.79 C ATOM 963 O GLU A 598 -10.265 -5.739 5.729 1.00 16.92 O ATOM 964 CB GLU A 598 -8.881 -3.571 7.854 1.00 17.09 C ATOM 965 CG GLU A 598 -7.672 -2.873 8.474 1.00 23.97 C ATOM 966 CD GLU A 598 -6.661 -3.832 9.061 1.00 35.57 C ATOM 967 OE1 GLU A 598 -6.209 -3.585 10.205 1.00 41.97 O ATOM 968 OE2 GLU A 598 -6.312 -4.829 8.388 1.00 38.96 O ATOM 969 H GLU A 598 -8.107 -1.985 6.003 1.00 0.00 H ATOM 970 N ALA A 599 -10.973 -3.619 5.660 1.00 14.55 N ATOM 971 CA ALA A 599 -12.304 -4.018 5.218 1.00 14.71 C ATOM 972 C ALA A 599 -12.262 -4.678 3.838 1.00 15.49 C ATOM 973 O ALA A 599 -13.041 -5.585 3.558 1.00 15.73 O ATOM 974 CB ALA A 599 -13.246 -2.820 5.213 1.00 17.34 C ATOM 975 H ALA A 599 -10.750 -2.612 5.794 1.00 0.00 H ATOM 976 N ALA A 600 -11.358 -4.214 2.979 1.00 13.76 N ATOM 977 CA ALA A 600 -11.229 -4.760 1.632 1.00 15.00 C ATOM 978 C ALA A 600 -10.627 -6.162 1.669 1.00 20.47 C ATOM 979 O ALA A 600 -11.081 -7.063 0.960 1.00 19.07 O ATOM 980 CB ALA A 600 -10.386 -3.839 0.767 1.00 16.19 C ATOM 981 H ALA A 600 -10.727 -3.442 3.275 1.00 0.00 H ATOM 982 N ALA A 601 -9.602 -6.341 2.497 1.00 13.55 N ATOM 983 CA ALA A 601 -8.937 -7.637 2.612 1.00 17.72 C ATOM 984 C ALA A 601 -9.875 -8.672 3.202 1.00 20.95 C ATOM 985 O ALA A 601 -9.819 -9.848 2.864 1.00 20.03 O ATOM 986 CB ALA A 601 -7.689 -7.516 3.461 1.00 16.48 C ATOM 987 H ALA A 601 -9.267 -5.543 3.074 1.00 0.00 H ATOM 988 N LYS A 602 -10.748 -8.221 4.093 1.00 19.66 N ATOM 989 CA LYS A 602 -11.699 -9.092 4.773 1.00 19.36 C ATOM 990 C LYS A 602 -12.950 -9.311 3.929 1.00 18.50 C ATOM 991 O LYS A 602 -13.779 -10.165 4.238 1.00 23.58 O ATOM 992 CB LYS A 602 -12.103 -8.473 6.109 1.00 17.92 C ATOM 993 CG LYS A 602 -12.704 -9.452 7.077 1.00 17.78 C ATOM 994 CD LYS A 602 -11.659 -10.429 7.561 1.00 25.36 C ATOM 995 CE LYS A 602 -12.267 -11.348 8.583 1.00 23.47 C ATOM 996 NZ LYS A 602 -13.390 -10.656 9.280 1.00 13.03 N ATOM 997 HZ1 LYS A 602 -13.029 -9.804 9.754 1.00 0.00 H ATOM 998 HZ2 LYS A 602 -14.115 -10.387 8.584 1.00 0.00 H ATOM 999 HZ3 LYS A 602 -13.806 -11.297 9.985 1.00 0.00 H ATOM 1000 H LYS A 602 -10.754 -7.205 4.315 1.00 0.00 H ATOM 1001 N GLY A 603 -13.096 -8.509 2.881 1.00 17.53 N ATOM 1002 CA GLY A 603 -14.237 -8.604 1.986 1.00 20.25 C ATOM 1003 C GLY A 603 -15.558 -8.226 2.622 1.00 21.55 C ATOM 1004 O GLY A 603 -16.562 -8.916 2.445 1.00 23.54 O ATOM 1005 H GLY A 603 -12.369 -7.789 2.694 1.00 0.00 H ATOM 1006 N LYS A 604 -15.570 -7.127 3.368 1.00 16.02 N ATOM 1007 CA LYS A 604 -16.788 -6.725 4.059 1.00 21.39 C ATOM 1008 C LYS A 604 -17.518 -5.625 3.300 1.00 13.52 C ATOM 1009 O LYS A 604 -17.135 -4.455 3.372 1.00 16.31 O ATOM 1010 CB LYS A 604 -16.445 -6.267 5.475 1.00 18.68 C ATOM 1011 CG LYS A 604 -15.648 -7.293 6.269 1.00 17.89 C ATOM 1012 CD LYS A 604 -16.389 -8.630 6.357 1.00 17.68 C ATOM 1013 CE LYS A 604 -17.787 -8.479 6.948 1.00 25.07 C ATOM 1014 NZ LYS A 604 -18.475 -9.799 7.069 1.00 27.96 N ATOM 1015 HZ1 LYS A 604 -18.560 -10.232 6.127 1.00 0.00 H ATOM 1016 HZ2 LYS A 604 -17.920 -10.422 7.690 1.00 0.00 H ATOM 1017 HZ3 LYS A 604 -19.423 -9.659 7.474 1.00 0.00 H ATOM 1018 H LYS A 604 -14.708 -6.552 3.459 1.00 0.00 H ATOM 1019 N TYR A 605 -18.574 -5.993 2.579 1.00 15.02 N ATOM 1020 CA TYR A 605 -19.239 -5.051 1.674 1.00 16.98 C ATOM 1021 C TYR A 605 -19.764 -3.793 2.356 1.00 17.31 C ATOM 1022 O TYR A 605 -19.439 -2.668 1.950 1.00 15.97 O ATOM 1023 CB TYR A 605 -20.388 -5.734 0.931 1.00 17.67 C ATOM 1024 CG TYR A 605 -20.875 -4.926 -0.246 1.00 19.45 C ATOM 1025 CD1 TYR A 605 -20.295 -5.077 -1.499 1.00 27.21 C ATOM 1026 CD2 TYR A 605 -21.899 -3.999 -0.106 1.00 21.39 C ATOM 1027 CE1 TYR A 605 -20.729 -4.337 -2.586 1.00 28.60 C ATOM 1028 CE2 TYR A 605 -22.342 -3.253 -1.188 1.00 24.97 C ATOM 1029 CZ TYR A 605 -21.751 -3.425 -2.425 1.00 30.91 C ATOM 1030 OH TYR A 605 -22.183 -2.685 -3.505 1.00 34.26 O ATOM 1031 HH TYR A 605 -22.061 -1.721 -3.313 1.00 0.00 H ATOM 1032 H TYR A 605 -18.934 -6.966 2.659 1.00 0.00 H ATOM 1033 N GLU A 606 -20.594 -3.990 3.373 1.00 13.90 N ATOM 1034 CA GLU A 606 -21.239 -2.880 4.056 1.00 16.98 C ATOM 1035 C GLU A 606 -20.209 -1.971 4.719 1.00 12.05 C ATOM 1036 O GLU A 606 -20.360 -0.747 4.712 1.00 11.84 O ATOM 1037 CB GLU A 606 -22.254 -3.389 5.092 1.00 17.97 C ATOM 1038 CG GLU A 606 -23.411 -4.208 4.507 1.00 15.08 C ATOM 1039 CD GLU A 606 -23.110 -5.702 4.451 1.00 16.95 C ATOM 1040 OE1 GLU A 606 -21.966 -6.106 4.727 1.00 16.15 O ATOM 1041 OE2 GLU A 606 -24.027 -6.483 4.142 1.00 18.70 O ATOM 1042 H GLU A 606 -20.788 -4.962 3.689 1.00 0.00 H ATOM 1043 N ILE A 607 -19.167 -2.560 5.297 1.00 13.32 N ATOM 1044 CA ILE A 607 -18.125 -1.747 5.925 1.00 12.85 C ATOM 1045 C ILE A 607 -17.357 -0.920 4.883 1.00 14.51 C ATOM 1046 O ILE A 607 -17.089 0.259 5.104 1.00 13.62 O ATOM 1047 CB ILE A 607 -17.162 -2.583 6.792 1.00 9.69 C ATOM 1048 CG1 ILE A 607 -17.911 -3.204 7.979 1.00 10.48 C ATOM 1049 CG2 ILE A 607 -16.013 -1.709 7.303 1.00 14.13 C ATOM 1050 CD1 ILE A 607 -17.006 -4.061 8.884 1.00 13.26 C ATOM 1051 H ILE A 607 -19.092 -3.597 5.303 1.00 0.00 H ATOM 1052 N CYS A 608 -16.998 -1.533 3.757 1.00 12.62 N ATOM 1053 CA CYS A 608 -16.353 -0.793 2.666 1.00 12.46 C ATOM 1054 C CYS A 608 -17.233 0.355 2.198 1.00 14.62 C ATOM 1055 O CYS A 608 -16.758 1.471 1.984 1.00 12.71 O ATOM 1056 CB CYS A 608 -16.069 -1.714 1.480 1.00 15.16 C ATOM 1057 SG CYS A 608 -14.666 -2.825 1.721 1.00 19.26 S ATOM 1058 H CYS A 608 -17.177 -2.552 3.649 1.00 0.00 H ATOM 1059 N LYS A 609 -18.522 0.073 2.055 1.00 14.05 N ATOM 1060 CA LYS A 609 -19.483 1.080 1.635 1.00 12.38 C ATOM 1061 C LYS A 609 -19.502 2.258 2.616 1.00 17.08 C ATOM 1062 O LYS A 609 -19.418 3.427 2.209 1.00 14.60 O ATOM 1063 CB LYS A 609 -20.869 0.434 1.488 1.00 13.41 C ATOM 1064 CG LYS A 609 -21.962 1.373 1.046 1.00 25.95 C ATOM 1065 CD LYS A 609 -21.974 1.530 -0.467 1.00 35.73 C ATOM 1066 CE LYS A 609 -23.187 0.837 -1.065 1.00 30.94 C ATOM 1067 NZ LYS A 609 -23.394 1.267 -2.471 1.00 39.84 N ATOM 1068 HZ1 LYS A 609 -23.545 2.296 -2.499 1.00 0.00 H ATOM 1069 HZ2 LYS A 609 -22.554 1.023 -3.034 1.00 0.00 H ATOM 1070 HZ3 LYS A 609 -24.227 0.782 -2.861 1.00 0.00 H ATOM 1071 H LYS A 609 -18.853 -0.894 2.248 1.00 0.00 H ATOM 1072 N LEU A 610 -19.585 1.945 3.907 1.00 11.79 N ATOM 1073 CA LEU A 610 -19.542 2.946 4.967 1.00 14.21 C ATOM 1074 C LEU A 610 -18.320 3.857 4.863 1.00 14.42 C ATOM 1075 O LEU A 610 -18.432 5.087 4.898 1.00 16.41 O ATOM 1076 CB LEU A 610 -19.531 2.226 6.320 1.00 13.07 C ATOM 1077 CG LEU A 610 -18.874 2.879 7.527 1.00 14.09 C ATOM 1078 CD1 LEU A 610 -19.649 4.114 7.956 1.00 17.54 C ATOM 1079 CD2 LEU A 610 -18.822 1.853 8.654 1.00 15.04 C ATOM 1080 H LEU A 610 -19.685 0.944 4.171 1.00 0.00 H ATOM 1081 N LEU A 611 -17.151 3.244 4.726 1.00 13.25 N ATOM 1082 CA LEU A 611 -15.898 3.982 4.720 1.00 13.49 C ATOM 1083 C LEU A 611 -15.801 4.859 3.463 1.00 12.92 C ATOM 1084 O LEU A 611 -15.436 6.035 3.542 1.00 15.54 O ATOM 1085 CB LEU A 611 -14.725 3.002 4.799 1.00 12.32 C ATOM 1086 CG LEU A 611 -14.669 2.152 6.070 1.00 13.16 C ATOM 1087 CD1 LEU A 611 -13.579 1.080 5.941 1.00 12.06 C ATOM 1088 CD2 LEU A 611 -14.382 3.048 7.268 1.00 14.91 C ATOM 1089 H LEU A 611 -17.130 2.210 4.620 1.00 0.00 H ATOM 1090 N LEU A 612 -16.168 4.295 2.318 1.00 13.32 N ATOM 1091 CA LEU A 612 -16.141 5.052 1.068 1.00 15.41 C ATOM 1092 C LEU A 612 -17.074 6.260 1.114 1.00 18.61 C ATOM 1093 O LEU A 612 -16.727 7.341 0.627 1.00 18.66 O ATOM 1094 CB LEU A 612 -16.461 4.151 -0.121 1.00 17.09 C ATOM 1095 CG LEU A 612 -15.334 3.171 -0.452 1.00 17.77 C ATOM 1096 CD1 LEU A 612 -15.820 2.106 -1.418 1.00 22.08 C ATOM 1097 CD2 LEU A 612 -14.131 3.906 -1.027 1.00 17.79 C ATOM 1098 H LEU A 612 -16.478 3.302 2.311 1.00 0.00 H ATOM 1099 N GLN A 613 -18.245 6.081 1.725 1.00 17.35 N ATOM 1100 CA GLN A 613 -19.205 7.168 1.870 1.00 18.71 C ATOM 1101 C GLN A 613 -18.707 8.266 2.793 1.00 22.98 C ATOM 1102 O GLN A 613 -19.155 9.405 2.699 1.00 20.15 O ATOM 1103 CB GLN A 613 -20.548 6.646 2.371 1.00 21.88 C ATOM 1104 CG GLN A 613 -21.353 5.922 1.308 1.00 26.78 C ATOM 1105 CD GLN A 613 -22.794 5.711 1.721 1.00 49.93 C ATOM 1106 OE1 GLN A 613 -23.177 5.994 2.859 1.00 52.47 O ATOM 1107 NE2 GLN A 613 -23.605 5.215 0.794 1.00 48.26 N ATOM 1108 HE22 GLN A 613 -23.237 4.991 -0.153 1.00 0.00 H ATOM 1109 HE21 GLN A 613 -24.608 5.050 1.015 1.00 0.00 H ATOM 1110 H GLN A 613 -18.479 5.143 2.108 1.00 0.00 H ATOM 1111 N HIS A 614 -17.790 7.931 3.693 1.00 17.01 N ATOM 1112 CA HIS A 614 -17.207 8.948 4.561 1.00 19.72 C ATOM 1113 C HIS A 614 -15.829 9.409 4.103 1.00 19.58 C ATOM 1114 O HIS A 614 -15.043 9.916 4.907 1.00 22.13 O ATOM 1115 CB HIS A 614 -17.158 8.471 6.013 1.00 19.35 C ATOM 1116 CG HIS A 614 -18.500 8.443 6.667 1.00 19.85 C ATOM 1117 ND1 HIS A 614 -19.441 7.477 6.394 1.00 20.33 N ATOM 1118 CD2 HIS A 614 -19.080 9.291 7.558 1.00 24.28 C ATOM 1119 CE1 HIS A 614 -20.534 7.712 7.103 1.00 26.08 C ATOM 1120 NE2 HIS A 614 -20.335 8.805 7.816 1.00 26.49 N ATOM 1121 H HIS A 614 -17.486 6.940 3.779 1.00 0.00 H ATOM 1122 N GLY A 615 -15.541 9.220 2.818 1.00 22.75 N ATOM 1123 CA GLY A 615 -14.329 9.750 2.212 1.00 23.72 C ATOM 1124 C GLY A 615 -13.062 8.913 2.325 1.00 25.11 C ATOM 1125 O GLY A 615 -11.951 9.434 2.155 1.00 19.66 O ATOM 1126 H GLY A 615 -16.203 8.676 2.228 1.00 0.00 H ATOM 1127 N ALA A 616 -13.206 7.622 2.603 1.00 16.87 N ATOM 1128 CA ALA A 616 -12.036 6.747 2.636 1.00 21.45 C ATOM 1129 C ALA A 616 -11.389 6.730 1.259 1.00 23.40 C ATOM 1130 O ALA A 616 -12.070 6.554 0.241 1.00 22.52 O ATOM 1131 CB ALA A 616 -12.410 5.340 3.063 1.00 17.71 C ATOM 1132 H ALA A 616 -14.151 7.234 2.797 1.00 0.00 H ATOM 1133 N ASP A 617 -10.074 6.921 1.242 1.00 21.44 N ATOM 1134 CA ASP A 617 -9.293 7.018 0.014 1.00 26.25 C ATOM 1135 C ASP A 617 -8.852 5.634 -0.448 1.00 20.44 C ATOM 1136 O ASP A 617 -7.993 5.009 0.175 1.00 26.95 O ATOM 1137 CB ASP A 617 -8.069 7.896 0.287 1.00 24.47 C ATOM 1138 CG ASP A 617 -7.310 8.279 -0.973 1.00 34.74 C ATOM 1139 OD1 ASP A 617 -7.357 7.529 -1.973 1.00 28.73 O ATOM 1140 OD2 ASP A 617 -6.650 9.342 -0.949 1.00 37.06 O ATOM 1141 H ASP A 617 -9.576 7.006 2.151 1.00 0.00 H ATOM 1142 N PRO A 618 -9.418 5.153 -1.564 1.00 24.91 N ATOM 1143 CA PRO A 618 -9.055 3.820 -2.047 1.00 23.75 C ATOM 1144 C PRO A 618 -7.762 3.846 -2.863 1.00 20.91 C ATOM 1145 O PRO A 618 -7.384 2.817 -3.417 1.00 22.96 O ATOM 1146 CB PRO A 618 -10.228 3.460 -2.953 1.00 25.90 C ATOM 1147 CG PRO A 618 -10.643 4.776 -3.526 1.00 29.40 C ATOM 1148 CD PRO A 618 -10.442 5.786 -2.415 1.00 26.92 C ATOM 1149 N THR A 619 -7.108 5.003 -2.945 1.00 23.15 N ATOM 1150 CA THR A 619 -5.835 5.103 -3.662 1.00 24.43 C ATOM 1151 C THR A 619 -4.644 5.006 -2.718 1.00 25.76 C ATOM 1152 O THR A 619 -3.491 4.967 -3.157 1.00 23.11 O ATOM 1153 CB THR A 619 -5.728 6.411 -4.472 1.00 18.81 C ATOM 1154 OG1 THR A 619 -5.639 7.531 -3.584 1.00 32.86 O ATOM 1155 CG2 THR A 619 -6.946 6.585 -5.359 1.00 28.73 C ATOM 1156 HG1 THR A 619 -6.449 7.565 -3.015 1.00 0.00 H ATOM 1157 H THR A 619 -7.508 5.850 -2.492 1.00 0.00 H ATOM 1158 N LYS A 620 -4.925 4.976 -1.418 1.00 25.34 N ATOM 1159 CA LYS A 620 -3.870 4.982 -0.410 1.00 22.25 C ATOM 1160 C LYS A 620 -3.048 3.704 -0.448 1.00 17.54 C ATOM 1161 O LYS A 620 -3.599 2.608 -0.368 1.00 18.91 O ATOM 1162 CB LYS A 620 -4.463 5.190 0.985 1.00 29.15 C ATOM 1163 CG LYS A 620 -4.446 6.647 1.434 1.00 39.11 C ATOM 1164 CD LYS A 620 -5.278 6.882 2.687 1.00 34.60 C ATOM 1165 CE LYS A 620 -5.113 8.316 3.174 1.00 36.60 C ATOM 1166 NZ LYS A 620 -3.690 8.631 3.500 1.00 48.66 N ATOM 1167 HZ1 LYS A 620 -3.357 7.991 4.249 1.00 0.00 H ATOM 1168 HZ2 LYS A 620 -3.105 8.505 2.650 1.00 0.00 H ATOM 1169 HZ3 LYS A 620 -3.620 9.616 3.827 1.00 0.00 H ATOM 1170 H LYS A 620 -5.919 4.948 -1.113 1.00 0.00 H ATOM 1171 N LYS A 621 -1.728 3.838 -0.579 1.00 19.01 N ATOM 1172 CA LYS A 621 -0.864 2.660 -0.569 1.00 17.75 C ATOM 1173 C LYS A 621 -0.316 2.386 0.824 1.00 16.41 C ATOM 1174 O LYS A 621 0.130 3.302 1.525 1.00 15.24 O ATOM 1175 CB LYS A 621 0.309 2.798 -1.541 1.00 19.36 C ATOM 1176 CG LYS A 621 -0.067 2.925 -3.012 1.00 30.39 C ATOM 1177 CD LYS A 621 1.092 2.433 -3.870 1.00 44.00 C ATOM 1178 CE LYS A 621 1.298 3.264 -5.125 1.00 61.33 C ATOM 1179 NZ LYS A 621 2.758 3.380 -5.428 1.00 65.53 N ATOM 1180 HZ1 LYS A 621 3.241 3.839 -4.630 1.00 0.00 H ATOM 1181 HZ2 LYS A 621 3.157 2.431 -5.576 1.00 0.00 H ATOM 1182 HZ3 LYS A 621 2.888 3.950 -6.288 1.00 0.00 H ATOM 1183 H LYS A 621 -1.312 4.785 -0.689 1.00 0.00 H ATOM 1184 N ASN A 622 -0.337 1.118 1.224 1.00 17.59 N ATOM 1185 CA ASN A 622 0.337 0.738 2.449 1.00 14.68 C ATOM 1186 C ASN A 622 1.825 0.478 2.170 1.00 17.59 C ATOM 1187 O ASN A 622 2.310 0.750 1.064 1.00 17.61 O ATOM 1188 CB ASN A 622 -0.352 -0.463 3.115 1.00 12.80 C ATOM 1189 CG ASN A 622 -0.288 -1.734 2.276 1.00 16.30 C ATOM 1190 OD1 ASN A 622 0.555 -1.888 1.391 1.00 15.82 O ATOM 1191 ND2 ASN A 622 -1.165 -2.670 2.584 1.00 14.46 N ATOM 1192 HD22 ASN A 622 -1.861 -2.502 3.338 1.00 0.00 H ATOM 1193 HD21 ASN A 622 -1.160 -3.576 2.073 1.00 0.00 H ATOM 1194 H ASN A 622 -0.836 0.401 0.659 1.00 0.00 H ATOM 1195 N ARG A 623 2.546 -0.044 3.156 1.00 14.98 N ATOM 1196 CA ARG A 623 3.990 -0.241 3.007 1.00 17.93 C ATOM 1197 C ARG A 623 4.390 -1.384 2.073 1.00 19.15 C ATOM 1198 O ARG A 623 5.578 -1.594 1.830 1.00 21.69 O ATOM 1199 CB ARG A 623 4.662 -0.432 4.369 1.00 14.55 C ATOM 1200 CG ARG A 623 4.811 0.834 5.145 1.00 20.75 C ATOM 1201 CD ARG A 623 6.128 1.527 4.839 1.00 16.17 C ATOM 1202 NE ARG A 623 6.351 2.594 5.810 1.00 21.33 N ATOM 1203 CZ ARG A 623 6.232 3.878 5.519 1.00 20.53 C ATOM 1204 NH1 ARG A 623 5.918 4.227 4.288 1.00 24.73 N ATOM 1205 NH2 ARG A 623 6.448 4.805 6.442 1.00 27.78 N ATOM 1206 HE ARG A 623 6.617 2.331 6.780 1.00 0.00 H ATOM 1207 HH12 ARG A 623 5.820 5.233 4.042 1.00 0.00 H ATOM 1208 HH11 ARG A 623 5.768 3.497 3.563 1.00 0.00 H ATOM 1209 HH22 ARG A 623 6.351 5.812 6.200 1.00 0.00 H ATOM 1210 HH21 ARG A 623 6.714 4.525 7.408 1.00 0.00 H ATOM 1211 H ARG A 623 2.080 -0.316 4.045 1.00 0.00 H ATOM 1212 N ASP A 624 3.411 -2.128 1.566 1.00 19.10 N ATOM 1213 CA ASP A 624 3.678 -3.136 0.542 1.00 18.65 C ATOM 1214 C ASP A 624 3.423 -2.549 -0.839 1.00 21.36 C ATOM 1215 O ASP A 624 3.537 -3.242 -1.855 1.00 22.20 O ATOM 1216 CB ASP A 624 2.779 -4.352 0.747 1.00 19.05 C ATOM 1217 CG ASP A 624 3.167 -5.163 1.953 1.00 19.28 C ATOM 1218 OD1 ASP A 624 4.367 -5.471 2.088 1.00 21.67 O ATOM 1219 OD2 ASP A 624 2.275 -5.494 2.768 1.00 23.67 O ATOM 1220 H ASP A 624 2.437 -1.990 1.905 1.00 0.00 H ATOM 1221 N GLY A 625 3.071 -1.268 -0.868 1.00 14.83 N ATOM 1222 CA GLY A 625 2.713 -0.597 -2.108 1.00 22.28 C ATOM 1223 C GLY A 625 1.291 -0.917 -2.550 1.00 21.23 C ATOM 1224 O GLY A 625 0.899 -0.634 -3.690 1.00 18.49 O ATOM 1225 H GLY A 625 3.051 -0.730 0.022 1.00 0.00 H ATOM 1226 N ASN A 626 0.514 -1.513 -1.649 1.00 17.77 N ATOM 1227 CA ASN A 626 -0.847 -1.957 -1.975 1.00 16.38 C ATOM 1228 C ASN A 626 -1.958 -0.991 -1.580 1.00 13.80 C ATOM 1229 O ASN A 626 -1.992 -0.495 -0.456 1.00 15.69 O ATOM 1230 CB ASN A 626 -1.122 -3.320 -1.328 1.00 18.69 C ATOM 1231 CG ASN A 626 -0.365 -4.435 -2.000 1.00 21.31 C ATOM 1232 OD1 ASN A 626 -0.058 -4.349 -3.190 1.00 25.57 O ATOM 1233 ND2 ASN A 626 -0.056 -5.487 -1.249 1.00 16.26 N ATOM 1234 HD22 ASN A 626 -0.338 -5.512 -0.248 1.00 0.00 H ATOM 1235 HD21 ASN A 626 0.468 -6.285 -1.662 1.00 0.00 H ATOM 1236 H ASN A 626 0.881 -1.668 -0.688 1.00 0.00 H ATOM 1237 N THR A 627 -2.873 -0.741 -2.512 1.00 17.32 N ATOM 1238 CA THR A 627 -4.095 0.006 -2.224 1.00 18.76 C ATOM 1239 C THR A 627 -5.091 -0.966 -1.605 1.00 17.72 C ATOM 1240 O THR A 627 -4.858 -2.179 -1.628 1.00 15.62 O ATOM 1241 CB THR A 627 -4.703 0.598 -3.504 1.00 20.65 C ATOM 1242 OG1 THR A 627 -5.173 -0.465 -4.330 1.00 18.56 O ATOM 1243 CG2 THR A 627 -3.668 1.415 -4.282 1.00 19.36 C ATOM 1244 HG1 THR A 627 -4.416 -1.059 -4.563 1.00 0.00 H ATOM 1245 H THR A 627 -2.713 -1.089 -3.479 1.00 0.00 H ATOM 1246 N PRO A 628 -6.192 -0.452 -1.028 1.00 17.49 N ATOM 1247 CA PRO A 628 -7.200 -1.400 -0.549 1.00 16.75 C ATOM 1248 C PRO A 628 -7.716 -2.315 -1.665 1.00 15.98 C ATOM 1249 O PRO A 628 -7.931 -3.500 -1.420 1.00 15.66 O ATOM 1250 CB PRO A 628 -8.317 -0.485 -0.049 1.00 13.98 C ATOM 1251 CG PRO A 628 -7.564 0.708 0.498 1.00 14.89 C ATOM 1252 CD PRO A 628 -6.467 0.919 -0.550 1.00 14.30 C ATOM 1253 N LEU A 629 -7.899 -1.778 -2.866 1.00 16.39 N ATOM 1254 CA LEU A 629 -8.330 -2.600 -3.994 1.00 19.43 C ATOM 1255 C LEU A 629 -7.369 -3.756 -4.255 1.00 19.69 C ATOM 1256 O LEU A 629 -7.801 -4.866 -4.577 1.00 15.25 O ATOM 1257 CB LEU A 629 -8.490 -1.755 -5.259 1.00 18.95 C ATOM 1258 CG LEU A 629 -8.827 -2.555 -6.524 1.00 21.99 C ATOM 1259 CD1 LEU A 629 -10.126 -3.315 -6.327 1.00 23.62 C ATOM 1260 CD2 LEU A 629 -8.943 -1.631 -7.721 1.00 26.48 C ATOM 1261 H LEU A 629 -7.734 -0.761 -3.005 1.00 0.00 H ATOM 1262 N ASP A 630 -6.071 -3.505 -4.097 1.00 17.72 N ATOM 1263 CA ASP A 630 -5.069 -4.547 -4.285 1.00 18.11 C ATOM 1264 C ASP A 630 -5.203 -5.694 -3.285 1.00 17.71 C ATOM 1265 O ASP A 630 -4.794 -6.816 -3.574 1.00 19.09 O ATOM 1266 CB ASP A 630 -3.653 -3.970 -4.178 1.00 21.82 C ATOM 1267 CG ASP A 630 -3.327 -3.000 -5.295 1.00 32.21 C ATOM 1268 OD1 ASP A 630 -3.881 -3.157 -6.407 1.00 29.15 O ATOM 1269 OD2 ASP A 630 -2.506 -2.083 -5.055 1.00 23.93 O ATOM 1270 H ASP A 630 -5.766 -2.546 -3.834 1.00 0.00 H ATOM 1271 N LEU A 631 -5.764 -5.410 -2.110 1.00 15.93 N ATOM 1272 CA LEU A 631 -5.892 -6.419 -1.060 1.00 15.65 C ATOM 1273 C LEU A 631 -7.180 -7.243 -1.150 1.00 22.56 C ATOM 1274 O LEU A 631 -7.353 -8.210 -0.408 1.00 17.00 O ATOM 1275 CB LEU A 631 -5.816 -5.772 0.325 1.00 15.45 C ATOM 1276 CG LEU A 631 -4.553 -4.974 0.647 1.00 21.82 C ATOM 1277 CD1 LEU A 631 -4.573 -4.522 2.106 1.00 19.69 C ATOM 1278 CD2 LEU A 631 -3.325 -5.826 0.376 1.00 19.67 C ATOM 1279 H LEU A 631 -6.119 -4.448 -1.936 1.00 0.00 H ATOM 1280 N VAL A 632 -8.091 -6.862 -2.038 1.00 16.35 N ATOM 1281 CA VAL A 632 -9.312 -7.635 -2.209 1.00 15.87 C ATOM 1282 C VAL A 632 -8.950 -8.987 -2.806 1.00 20.52 C ATOM 1283 O VAL A 632 -8.155 -9.056 -3.752 1.00 15.62 O ATOM 1284 CB VAL A 632 -10.308 -6.939 -3.133 1.00 21.51 C ATOM 1285 CG1 VAL A 632 -11.586 -7.774 -3.235 1.00 18.13 C ATOM 1286 CG2 VAL A 632 -10.630 -5.550 -2.602 1.00 15.97 C ATOM 1287 H VAL A 632 -7.932 -6.010 -2.612 1.00 0.00 H ATOM 1288 N LYS A 633 -9.515 -10.058 -2.248 1.00 16.76 N ATOM 1289 CA LYS A 633 -9.239 -11.404 -2.752 1.00 22.81 C ATOM 1290 C LYS A 633 -9.779 -11.509 -4.167 1.00 19.28 C ATOM 1291 O LYS A 633 -10.867 -11.014 -4.452 1.00 16.31 O ATOM 1292 CB LYS A 633 -9.908 -12.470 -1.876 1.00 18.15 C ATOM 1293 CG LYS A 633 -9.016 -13.061 -0.774 1.00 28.39 C ATOM 1294 CD LYS A 633 -8.585 -12.011 0.243 1.00 37.68 C ATOM 1295 CE LYS A 633 -7.799 -12.634 1.397 1.00 37.34 C ATOM 1296 NZ LYS A 633 -7.338 -11.589 2.374 1.00 35.61 N ATOM 1297 HZ1 LYS A 633 -6.723 -10.907 1.886 1.00 0.00 H ATOM 1298 HZ2 LYS A 633 -8.164 -11.094 2.766 1.00 0.00 H ATOM 1299 HZ3 LYS A 633 -6.808 -12.046 3.144 1.00 0.00 H ATOM 1300 H LYS A 633 -10.161 -9.935 -1.443 1.00 0.00 H ATOM 1301 N ASP A 634 -9.019 -12.150 -5.055 1.00 17.93 N ATOM 1302 CA ASP A 634 -9.452 -12.336 -6.431 1.00 17.22 C ATOM 1303 C ASP A 634 -10.834 -12.981 -6.517 1.00 18.62 C ATOM 1304 O ASP A 634 -11.614 -12.671 -7.420 1.00 19.75 O ATOM 1305 CB ASP A 634 -8.415 -13.155 -7.207 1.00 23.77 C ATOM 1306 CG ASP A 634 -7.192 -12.333 -7.589 1.00 30.77 C ATOM 1307 OD1 ASP A 634 -7.224 -11.094 -7.394 1.00 29.14 O ATOM 1308 OD2 ASP A 634 -6.204 -12.922 -8.092 1.00 27.36 O ATOM 1309 H ASP A 634 -8.096 -12.525 -4.757 1.00 0.00 H ATOM 1310 N GLY A 635 -11.155 -13.848 -5.559 1.00 19.69 N ATOM 1311 CA GLY A 635 -12.461 -14.481 -5.535 1.00 19.32 C ATOM 1312 C GLY A 635 -13.600 -13.553 -5.131 1.00 19.06 C ATOM 1313 O GLY A 635 -14.766 -13.907 -5.262 1.00 22.69 O ATOM 1314 H GLY A 635 -10.461 -14.075 -4.818 1.00 0.00 H ATOM 1315 N ASP A 636 -13.273 -12.357 -4.648 1.00 19.08 N ATOM 1316 CA ASP A 636 -14.292 -11.485 -4.055 1.00 23.31 C ATOM 1317 C ASP A 636 -14.799 -10.409 -5.021 1.00 24.07 C ATOM 1318 O ASP A 636 -14.540 -9.217 -4.842 1.00 20.09 O ATOM 1319 CB ASP A 636 -13.733 -10.843 -2.790 1.00 18.73 C ATOM 1320 CG ASP A 636 -14.810 -10.403 -1.848 1.00 37.06 C ATOM 1321 OD1 ASP A 636 -15.986 -10.377 -2.270 1.00 33.61 O ATOM 1322 OD2 ASP A 636 -14.477 -10.077 -0.689 1.00 40.34 O ATOM 1323 H ASP A 636 -12.284 -12.037 -4.692 1.00 0.00 H ATOM 1324 N THR A 637 -15.554 -10.845 -6.024 1.00 20.67 N ATOM 1325 CA THR A 637 -15.950 -10.000 -7.148 1.00 25.97 C ATOM 1326 C THR A 637 -16.765 -8.764 -6.767 1.00 23.78 C ATOM 1327 O THR A 637 -16.566 -7.688 -7.334 1.00 23.19 O ATOM 1328 CB THR A 637 -16.734 -10.828 -8.180 1.00 27.94 C ATOM 1329 OG1 THR A 637 -16.034 -12.056 -8.420 1.00 23.91 O ATOM 1330 CG2 THR A 637 -16.896 -10.061 -9.490 1.00 22.96 C ATOM 1331 HG1 THR A 637 -15.958 -12.562 -7.573 1.00 0.00 H ATOM 1332 H THR A 637 -15.878 -11.833 -6.008 1.00 0.00 H ATOM 1333 N ASP A 638 -17.686 -8.909 -5.818 1.00 21.65 N ATOM 1334 CA ASP A 638 -18.544 -7.787 -5.424 1.00 22.26 C ATOM 1335 C ASP A 638 -17.762 -6.626 -4.784 1.00 25.26 C ATOM 1336 O ASP A 638 -18.062 -5.454 -5.020 1.00 21.01 O ATOM 1337 CB ASP A 638 -19.660 -8.267 -4.491 1.00 27.00 C ATOM 1338 H ASP A 638 -17.799 -9.830 -5.349 1.00 0.00 H ATOM 1339 N ILE A 639 -16.762 -6.955 -3.972 1.00 20.93 N ATOM 1340 CA ILE A 639 -15.921 -5.934 -3.349 1.00 21.37 C ATOM 1341 C ILE A 639 -15.053 -5.226 -4.393 1.00 22.56 C ATOM 1342 O ILE A 639 -14.937 -3.993 -4.386 1.00 22.84 O ATOM 1343 CB ILE A 639 -15.012 -6.539 -2.259 1.00 18.74 C ATOM 1344 CG1 ILE A 639 -15.852 -7.240 -1.190 1.00 29.91 C ATOM 1345 CG2 ILE A 639 -14.163 -5.458 -1.614 1.00 25.18 C ATOM 1346 CD1 ILE A 639 -16.751 -6.295 -0.432 1.00 26.56 C ATOM 1347 H ILE A 639 -16.574 -7.959 -3.776 1.00 0.00 H ATOM 1348 N GLN A 640 -14.439 -6.015 -5.278 1.00 17.92 N ATOM 1349 CA GLN A 640 -13.642 -5.488 -6.390 1.00 18.88 C ATOM 1350 C GLN A 640 -14.417 -4.450 -7.193 1.00 24.39 C ATOM 1351 O GLN A 640 -13.913 -3.363 -7.478 1.00 24.68 O ATOM 1352 CB GLN A 640 -13.231 -6.626 -7.329 1.00 25.65 C ATOM 1353 CG GLN A 640 -12.335 -7.695 -6.709 1.00 27.92 C ATOM 1354 CD GLN A 640 -10.889 -7.549 -7.138 1.00 36.15 C ATOM 1355 OE1 GLN A 640 -10.560 -6.676 -7.946 1.00 36.44 O ATOM 1356 NE2 GLN A 640 -10.015 -8.401 -6.603 1.00 29.46 N ATOM 1357 HE22 GLN A 640 -10.338 -9.121 -5.926 1.00 0.00 H ATOM 1358 HE21 GLN A 640 -9.009 -8.346 -6.863 1.00 0.00 H ATOM 1359 H GLN A 640 -14.530 -7.046 -5.174 1.00 0.00 H ATOM 1360 N ASP A 641 -15.650 -4.800 -7.551 1.00 24.93 N ATOM 1361 CA ASP A 641 -16.517 -3.905 -8.303 1.00 25.75 C ATOM 1362 C ASP A 641 -16.827 -2.631 -7.525 1.00 30.27 C ATOM 1363 O ASP A 641 -16.838 -1.536 -8.090 1.00 26.99 O ATOM 1364 CB ASP A 641 -17.817 -4.624 -8.679 1.00 23.85 C ATOM 1365 CG ASP A 641 -17.593 -5.761 -9.671 1.00 41.00 C ATOM 1366 OD1 ASP A 641 -16.470 -5.875 -10.219 1.00 37.52 O ATOM 1367 OD2 ASP A 641 -18.548 -6.533 -9.910 1.00 42.93 O ATOM 1368 H ASP A 641 -16.005 -5.741 -7.286 1.00 0.00 H ATOM 1369 N LEU A 642 -17.080 -2.780 -6.227 1.00 24.35 N ATOM 1370 CA LEU A 642 -17.420 -1.641 -5.379 1.00 24.31 C ATOM 1371 C LEU A 642 -16.278 -0.636 -5.367 1.00 28.46 C ATOM 1372 O LEU A 642 -16.485 0.575 -5.498 1.00 31.75 O ATOM 1373 CB LEU A 642 -17.723 -2.108 -3.948 1.00 24.15 C ATOM 1374 CG LEU A 642 -17.940 -1.008 -2.904 1.00 23.08 C ATOM 1375 CD1 LEU A 642 -19.148 -0.148 -3.271 1.00 28.04 C ATOM 1376 CD2 LEU A 642 -18.109 -1.606 -1.512 1.00 20.92 C ATOM 1377 H LEU A 642 -17.034 -3.730 -5.807 1.00 0.00 H ATOM 1378 N LEU A 643 -15.064 -1.153 -5.226 1.00 21.86 N ATOM 1379 CA LEU A 643 -13.881 -0.310 -5.194 1.00 27.68 C ATOM 1380 C LEU A 643 -13.374 -0.040 -6.608 1.00 36.00 C ATOM 1381 O LEU A 643 -12.347 0.618 -6.787 1.00 44.10 O ATOM 1382 CB LEU A 643 -12.782 -0.965 -4.353 1.00 25.03 C ATOM 1383 CG LEU A 643 -12.862 -0.840 -2.825 1.00 25.23 C ATOM 1384 CD1 LEU A 643 -14.022 -1.629 -2.235 1.00 28.40 C ATOM 1385 CD2 LEU A 643 -11.556 -1.290 -2.185 1.00 31.38 C ATOM 1386 H LEU A 643 -14.957 -2.184 -5.136 1.00 0.00 H ATOM 1387 N ARG A 644 -14.112 -0.548 -7.596 1.00 37.61 N ATOM 1388 CA ARG A 644 -13.765 -0.436 -9.019 1.00 42.09 C ATOM 1389 C ARG A 644 -12.532 -1.255 -9.378 1.00 39.12 C ATOM 1390 O ARG A 644 -12.620 -2.220 -10.131 1.00 41.50 O ATOM 1391 CB ARG A 644 -13.579 1.024 -9.450 1.00 43.74 C ATOM 1392 CG ARG A 644 -14.765 1.924 -9.140 1.00 50.47 C ATOM 1393 CD ARG A 644 -15.951 1.602 -10.033 1.00 58.78 C ATOM 1394 NE ARG A 644 -17.166 1.366 -9.260 1.00 67.04 N ATOM 1395 CZ ARG A 644 -18.106 2.280 -9.032 1.00 84.93 C ATOM 1396 NH1 ARG A 644 -17.980 3.506 -9.523 1.00 82.85 N ATOM 1397 NH2 ARG A 644 -19.176 1.964 -8.314 1.00 83.64 N ATOM 1398 HE ARG A 644 -17.307 0.417 -8.859 1.00 0.00 H ATOM 1399 HH12 ARG A 644 -18.717 4.217 -9.342 1.00 0.00 H ATOM 1400 HH11 ARG A 644 -17.144 3.756 -10.089 1.00 0.00 H ATOM 1401 HH22 ARG A 644 -19.911 2.677 -8.135 1.00 0.00 H ATOM 1402 HH21 ARG A 644 -19.279 1.003 -7.930 1.00 0.00 H ATOM 1403 H ARG A 644 -14.985 -1.054 -7.344 1.00 0.00 H TER 1404 ARG A 644 HETATM 1405 O HOH 1 -8.356 0.883 -3.461 1.00 29.02 O HETATM 1406 O HOH 2 -22.173 -5.575 24.326 1.00 18.46 O HETATM 1407 O HOH 3 -9.869 3.956 5.171 1.00 21.42 O HETATM 1408 O HOH 4 -2.400 5.022 13.911 1.00 25.87 O HETATM 1409 O HOH 5 -23.833 -0.505 -4.129 1.00 36.18 O HETATM 1410 O HOH 6 -5.180 -15.157 -8.437 1.00 19.85 O HETATM 1411 O HOH 7 -0.378 -2.378 12.887 1.00 25.78 O HETATM 1412 O HOH 8 -3.843 -5.863 24.233 1.00 18.23 O HETATM 1413 O HOH 9 -20.706 -4.710 14.758 1.00 19.52 O HETATM 1414 O HOH 10 -16.350 -11.454 11.266 1.00 22.84 O HETATM 1415 O HOH 11 -21.057 -8.507 4.376 1.00 23.78 O HETATM 1416 O HOH 12 -5.897 -3.995 19.381 1.00 15.91 O HETATM 1417 O HOH 13 -0.165 -5.476 1.873 1.00 18.08 O HETATM 1418 O HOH 14 3.052 -7.568 24.841 1.00 35.61 O HETATM 1419 O HOH 15 -11.427 2.729 25.912 1.00 11.09 O HETATM 1420 O HOH 16 -5.561 8.091 16.288 1.00 23.45 O HETATM 1421 O HOH 17 -1.833 4.335 3.846 1.00 29.35 O HETATM 1422 O HOH 18 -15.945 10.063 11.354 1.00 18.85 O HETATM 1423 O HOH 19 -11.277 4.568 15.849 1.00 14.93 O HETATM 1424 O HOH 20 -5.808 -9.537 1.333 1.00 23.89 O HETATM 1425 O HOH 21 -14.364 7.734 -0.640 1.00 26.44 O HETATM 1426 O HOH 22 -3.850 -9.718 25.760 1.00 38.10 O HETATM 1427 O HOH 23 -16.890 -14.334 -7.193 1.00 26.81 O HETATM 1428 O HOH 24 -6.020 -9.954 -9.569 1.00 27.47 O HETATM 1429 O HOH 25 -7.982 -10.786 23.540 1.00 34.72 O HETATM 1430 O HOH 26 -13.545 12.865 17.344 1.00 25.49 O HETATM 1431 O HOH 27 -2.495 4.864 -5.723 1.00 31.39 O HETATM 1432 O HOH 28 -8.059 4.405 2.890 1.00 23.11 O HETATM 1433 O HOH 29 -21.731 -9.504 21.033 1.00 27.89 O HETATM 1434 O HOH 30 -19.745 -5.498 6.325 1.00 18.51 O HETATM 1435 O HOH 31 -13.948 9.536 21.779 1.00 17.04 O HETATM 1436 O HOH 32 -10.811 1.959 38.049 1.00 32.67 O HETATM 1437 O HOH 33 -10.019 4.078 23.863 1.00 17.18 O HETATM 1438 O HOH 34 -19.553 -8.633 2.276 1.00 24.80 O HETATM 1439 O HOH 35 -25.108 0.750 26.074 1.00 26.43 O HETATM 1440 O HOH 36 -22.986 6.167 22.575 1.00 31.92 O HETATM 1441 O HOH 37 -16.462 -14.214 -3.004 1.00 30.73 O HETATM 1442 O HOH 38 -11.267 -9.768 0.029 1.00 21.64 O HETATM 1443 O HOH 39 1.330 5.653 10.846 1.00 33.91 O HETATM 1444 O HOH 40 -18.510 -11.343 -4.512 1.00 34.77 O HETATM 1445 O HOH 41 -14.844 -8.881 34.195 1.00 23.44 O HETATM 1446 O HOH 42 -5.399 -0.876 -7.464 1.00 36.65 O HETATM 1447 O HOH 43 -2.985 6.795 21.347 1.00 34.27 O HETATM 1448 O HOH 44 -15.855 9.894 25.306 1.00 24.46 O HETATM 1449 O HOH 45 -4.357 -4.779 41.790 1.00 38.43 O HETATM 1450 O HOH 46 -9.681 7.321 14.699 1.00 14.21 O HETATM 1451 O HOH 47 -2.892 8.703 9.788 1.00 34.17 O HETATM 1452 O HOH 48 -12.379 11.065 8.594 1.00 33.77 O HETATM 1453 O HOH 49 -10.042 10.705 7.085 1.00 31.67 O HETATM 1454 O HOH 50 -15.243 -12.720 1.395 1.00 42.84 O HETATM 1455 O HOH 51 0.996 -8.948 18.868 1.00 51.69 O HETATM 1456 O HOH 52 -3.378 -4.684 32.211 1.00 36.10 O HETATM 1457 O HOH 53 -7.057 8.942 14.714 1.00 26.85 O HETATM 1458 O HOH 54 -24.830 6.772 18.539 1.00 36.45 O HETATM 1459 O HOH 55 -16.548 -10.070 32.435 1.00 22.76 O HETATM 1460 O HOH 56 -24.069 10.903 20.506 1.00 46.77 O HETATM 1461 O HOH 57 -27.636 4.239 18.778 1.00 37.20 O HETATM 1462 O HOH 58 -2.839 3.231 31.523 1.00 35.20 O HETATM 1463 O HOH 59 -16.868 10.958 8.799 1.00 34.64 O HETATM 1464 O HOH 60 -3.524 9.142 -7.067 1.00 49.36 O HETATM 1465 O HOH 61 1.665 4.983 16.779 1.00 35.77 O HETATM 1466 O HOH 62 -5.661 10.364 12.689 1.00 29.46 O HETATM 1467 O HOH 63 -10.185 14.149 9.527 1.00 45.87 O HETATM 1468 O HOH 64 -10.150 -13.700 19.908 1.00 26.68 O HETATM 1469 O HOH 65 -3.490 -9.409 23.002 1.00 28.22 O HETATM 1470 O HOH 66 -12.202 -15.326 16.026 1.00 25.69 O HETATM 1471 O HOH 67 6.512 -13.073 12.743 1.00 32.73 O HETATM 1472 O HOH 68 -7.301 -11.339 20.280 1.00 35.89 O HETATM 1473 N GLU A 69 8.668 -9.478 11.137 1.00 0.24 N HETATM 1474 CA GLU A 69 7.531 -10.039 11.862 1.00 0.07 C HETATM 1475 C GLU A 69 6.256 -9.934 11.025 1.00 0.23 C HETATM 1476 O GLU A 69 6.128 -9.031 10.203 1.00 -0.39 O HETATM 1477 N GLU A 69 5.308 -10.846 11.239 1.00 -0.26 N HETATM 1478 CA GLU A 69 4.032 -10.790 10.527 1.00 0.13 C HETATM 1479 C GLU A 69 3.207 -9.614 11.057 1.00 0.20 C HETATM 1480 O GLU A 69 3.280 -9.298 12.241 1.00 -0.39 O HETATM 1481 N GLU A 69 2.440 -8.942 10.198 1.00 -0.26 N HETATM 1482 CA GLU A 69 1.562 -7.880 10.703 1.00 0.13 C HETATM 1483 C GLU A 69 0.352 -8.481 11.420 1.00 0.20 C HETATM 1484 O GLU A 69 -0.350 -9.318 10.852 1.00 -0.39 O HETATM 1485 N GLU A 69 0.111 -8.052 12.662 1.00 -0.26 N HETATM 1486 CA GLU A 69 -1.037 -8.518 13.456 1.00 0.13 C HETATM 1487 C GLU A 69 -2.285 -7.648 13.265 1.00 0.20 C HETATM 1488 O GLU A 69 -2.169 -6.442 13.027 1.00 -0.39 O HETATM 1489 N GLU A 69 -3.472 -8.255 13.394 1.00 -0.26 N HETATM 1490 CA GLU A 69 -4.738 -7.591 13.058 1.00 0.13 C HETATM 1491 C GLU A 69 -5.335 -6.801 14.212 1.00 0.20 C HETATM 1492 O GLU A 69 -6.273 -6.013 14.027 1.00 -0.39 O HETATM 1493 N GLU A 69 -4.811 -7.036 15.405 1.00 -0.27 N HETATM 1494 CA GLU A 69 -5.331 -6.391 16.595 1.00 0.12 C HETATM 1495 C GLU A 69 -6.191 -7.357 17.380 1.00 0.20 C HETATM 1496 O GLU A 69 -6.471 -8.470 16.915 1.00 -0.39 O HETATM 1497 N GLU A 69 -6.614 -6.934 18.567 1.00 -0.26 N HETATM 1498 CA GLU A 69 -7.402 -7.791 19.439 1.00 0.14 C HETATM 1499 C GLU A 69 -8.840 -7.855 18.972 1.00 0.21 C HETATM 1500 O GLU A 69 -9.432 -6.840 18.598 1.00 -0.39 O HETATM 1501 N GLU A 69 -9.405 -9.052 19.003 1.00 -0.27 N HETATM 1502 CA GLU A 69 -10.793 -9.209 18.617 1.00 0.12 C HETATM 1503 C GLU A 69 -11.090 -10.637 18.236 1.00 0.20 C HETATM 1504 O GLU A 69 -10.249 -11.523 18.419 1.00 -0.39 O HETATM 1505 N GLU A 69 -12.283 -10.854 17.693 1.00 -0.26 N HETATM 1506 CA GLU A 69 -12.730 -12.184 17.294 1.00 0.13 C HETATM 1507 C GLU A 69 -13.603 -12.075 16.058 1.00 0.20 C HETATM 1508 O GLU A 69 -14.284 -11.066 15.861 1.00 -0.39 O HETATM 1509 N GLU A 69 -13.609 -13.115 15.232 1.00 -0.26 N HETATM 1510 CA GLU A 69 -14.516 -13.146 14.084 1.00 0.13 C HETATM 1511 C GLU A 69 -15.952 -13.384 14.524 1.00 0.20 C HETATM 1512 O GLU A 69 -16.195 -14.000 15.563 1.00 -0.39 O HETATM 1513 N GLU A 69 -16.906 -12.898 13.730 1.00 -0.26 N HETATM 1514 CA GLU A 69 -18.297 -13.284 13.898 1.00 0.14 C HETATM 1515 C GLU A 69 -18.457 -14.663 13.277 1.00 0.21 C HETATM 1516 O GLU A 69 -17.662 -15.050 12.418 1.00 -0.39 O HETATM 1517 N GLU A 69 -19.479 -15.396 13.702 1.00 -0.27 N HETATM 1518 CA GLU A 69 -19.752 -16.719 13.143 1.00 0.10 C HETATM 1519 C GLU A 69 -20.257 -16.631 11.704 1.00 0.06 C HETATM 1520 O GLU A 69 -21.197 -15.891 11.408 1.00 -0.57 O HETATM 1521 OXT GLU A 69 -19.735 -17.298 10.809 1.00 -0.57 O HETATM 1522 CB GLU A 69 -20.768 -17.466 14.010 1.00 -0.01 C HETATM 1523 CG GLU A 69 -22.045 -16.679 14.293 1.00 0.00 C HETATM 1524 CD GLU A 69 -23.196 -17.571 14.713 1.00 0.04 C HETATM 1525 OE1 GLU A 69 -23.084 -18.247 15.758 1.00 -0.57 O HETATM 1526 OE2 GLU A 69 -24.214 -17.601 13.990 1.00 -0.57 O HETATM 1527 H76 GLU A 69 -22.334 -16.136 13.381 1.00 0.04 H HETATM 1528 H77 GLU A 69 -21.844 -15.959 15.100 1.00 0.04 H HETATM 1529 H74 GLU A 69 -20.291 -17.707 14.971 1.00 0.03 H HETATM 1530 H75 GLU A 69 -21.044 -18.398 13.494 1.00 0.03 H HETATM 1531 H73 GLU A 69 -18.811 -17.289 13.142 1.00 0.07 H HETATM 1532 H72 GLU A 69 -20.075 -15.036 14.420 1.00 0.19 H HETATM 1533 CB GLU A 69 -19.212 -12.304 13.178 1.00 0.04 C HETATM 1534 CG GLU A 69 -19.200 -10.922 13.802 1.00 0.04 C HETATM 1535 OD1 GLU A 69 -19.466 -10.809 15.020 1.00 -0.57 O HETATM 1536 OD2 GLU A 69 -18.925 -9.947 13.065 1.00 -0.57 O HETATM 1537 H70 GLU A 69 -20.240 -12.695 13.209 1.00 0.05 H HETATM 1538 H71 GLU A 69 -18.883 -12.220 12.132 1.00 0.05 H HETATM 1539 H69 GLU A 69 -18.554 -13.314 14.967 1.00 0.08 H HETATM 1540 H68 GLU A 69 -16.660 -12.255 13.005 1.00 0.19 H HETATM 1541 CB GLU A 69 -14.120 -14.258 13.108 1.00 -0.00 C HETATM 1542 CG GLU A 69 -12.736 -14.126 12.535 1.00 0.00 C HETATM 1543 CD GLU A 69 -12.618 -12.936 11.615 1.00 0.04 C HETATM 1544 OE1 GLU A 69 -13.651 -12.547 11.029 1.00 -0.57 O HETATM 1545 OE2 GLU A 69 -11.496 -12.394 11.473 1.00 -0.57 O HETATM 1546 H66 GLU A 69 -12.497 -15.038 11.969 1.00 0.04 H HETATM 1547 H67 GLU A 69 -12.019 -14.009 13.361 1.00 0.04 H HETATM 1548 H64 GLU A 69 -14.838 -14.254 12.275 1.00 0.03 H HETATM 1549 H65 GLU A 69 -14.181 -15.219 13.640 1.00 0.03 H HETATM 1550 H63 GLU A 69 -14.457 -12.177 13.567 1.00 0.08 H HETATM 1551 H62 GLU A 69 -12.989 -13.883 15.396 1.00 0.19 H HETATM 1552 CB GLU A 69 -13.513 -12.828 18.421 1.00 -0.02 C HETATM 1553 H59 GLU A 69 -13.845 -13.830 18.111 1.00 0.03 H HETATM 1554 H60 GLU A 69 -14.390 -12.208 18.659 1.00 0.03 H HETATM 1555 H61 GLU A 69 -12.872 -12.914 19.311 1.00 0.03 H HETATM 1556 H58 GLU A 69 -11.853 -12.806 17.064 1.00 0.08 H HETATM 1557 H57 GLU A 69 -12.897 -10.077 17.553 1.00 0.19 H HETATM 1558 H55 GLU A 69 -11.003 -8.556 17.757 1.00 0.08 H HETATM 1559 H56 GLU A 69 -11.436 -8.921 19.462 1.00 0.08 H HETATM 1560 H54 GLU A 69 -8.874 -9.848 19.293 1.00 0.19 H HETATM 1561 CB GLU A 69 -7.359 -7.275 20.871 1.00 0.04 C HETATM 1562 CG GLU A 69 -6.019 -7.524 21.535 1.00 0.04 C HETATM 1563 OD1 GLU A 69 -5.539 -8.679 21.496 1.00 -0.57 O HETATM 1564 OD2 GLU A 69 -5.442 -6.562 22.086 1.00 -0.57 O HETATM 1565 H52 GLU A 69 -8.142 -7.783 21.453 1.00 0.05 H HETATM 1566 H53 GLU A 69 -7.553 -6.192 20.862 1.00 0.05 H HETATM 1567 H51 GLU A 69 -6.976 -8.805 19.413 1.00 0.08 H HETATM 1568 H50 GLU A 69 -6.386 -6.008 18.867 1.00 0.19 H HETATM 1569 H48 GLU A 69 -5.937 -5.521 16.301 1.00 0.08 H HETATM 1570 H49 GLU A 69 -4.492 -6.058 17.224 1.00 0.08 H HETATM 1571 H47 GLU A 69 -4.042 -7.670 15.487 1.00 0.19 H HETATM 1572 CB GLU A 69 -5.779 -8.617 12.595 1.00 0.00 C HETATM 1573 CG GLU A 69 -5.256 -9.672 11.626 1.00 0.04 C HETATM 1574 CD GLU A 69 -5.079 -9.161 10.204 1.00 0.17 C HETATM 1575 OE1 GLU A 69 -5.020 -7.953 9.958 1.00 -0.40 O HETATM 1576 NE2 GLU A 69 -4.996 -10.088 9.255 1.00 -0.30 N HETATM 1577 H45 GLU A 69 -4.879 -9.816 8.300 1.00 0.18 H HETATM 1578 H46 GLU A 69 -5.051 -11.057 9.496 1.00 0.18 H HETATM 1579 H43 GLU A 69 -5.968 -10.510 11.608 1.00 0.05 H HETATM 1580 H44 GLU A 69 -4.281 -10.027 11.992 1.00 0.05 H HETATM 1581 H41 GLU A 69 -6.597 -8.074 12.099 1.00 0.03 H HETATM 1582 H42 GLU A 69 -6.168 -9.134 13.485 1.00 0.03 H HETATM 1583 H40 GLU A 69 -4.539 -6.893 12.232 1.00 0.08 H HETATM 1584 H39 GLU A 69 -3.497 -9.196 13.732 1.00 0.19 H HETATM 1585 CB GLU A 69 -0.657 -8.550 14.934 1.00 -0.00 C HETATM 1586 CG GLU A 69 0.436 -9.548 15.252 1.00 0.00 C HETATM 1587 CD GLU A 69 -0.049 -10.977 15.137 1.00 0.04 C HETATM 1588 OE1 GLU A 69 -0.921 -11.373 15.943 1.00 -0.57 O HETATM 1589 OE2 GLU A 69 0.433 -11.703 14.240 1.00 -0.57 O HETATM 1590 H37 GLU A 69 0.787 -9.374 16.280 1.00 0.04 H HETATM 1591 H38 GLU A 69 1.269 -9.398 14.549 1.00 0.04 H HETATM 1592 H35 GLU A 69 -1.551 -8.814 15.518 1.00 0.03 H HETATM 1593 H36 GLU A 69 -0.310 -7.548 15.227 1.00 0.03 H HETATM 1594 H34 GLU A 69 -1.282 -9.540 13.133 1.00 0.08 H HETATM 1595 H33 GLU A 69 0.737 -7.387 13.069 1.00 0.19 H HETATM 1596 CB GLU A 69 1.095 -6.952 9.577 1.00 -0.01 C HETATM 1597 CG GLU A 69 0.101 -5.888 10.044 1.00 -0.02 C HETATM 1598 CD GLU A 69 -0.460 -5.052 8.894 1.00 0.06 C HETATM 1599 NE GLU A 69 -1.423 -4.090 9.421 1.00 -0.27 N HETATM 1600 CZ GLU A 69 -2.735 -4.299 9.474 1.00 0.29 C HETATM 1601 NH1 GLU A 69 -3.250 -5.425 9.001 1.00 -0.28 N HETATM 1602 H29 GLU A 69 -4.267 -5.584 9.043 1.00 0.26 H HETATM 1603 H30 GLU A 69 -2.633 -6.141 8.591 1.00 0.26 H HETATM 1604 NH2 GLU A 69 -3.532 -3.379 9.999 1.00 -0.28 N HETATM 1605 H31 GLU A 69 -3.135 -2.503 10.367 1.00 0.26 H HETATM 1606 H32 GLU A 69 -4.548 -3.540 10.039 1.00 0.26 H HETATM 1607 H28 GLU A 69 -1.063 -3.192 9.774 1.00 0.26 H HETATM 1608 H26 GLU A 69 -0.959 -5.712 8.169 1.00 0.07 H HETATM 1609 H27 GLU A 69 0.361 -4.515 8.396 1.00 0.07 H HETATM 1610 H24 GLU A 69 0.612 -5.216 10.749 1.00 0.03 H HETATM 1611 H25 GLU A 69 -0.735 -6.389 10.554 1.00 0.03 H HETATM 1612 H22 GLU A 69 0.613 -7.562 8.799 1.00 0.03 H HETATM 1613 H23 GLU A 69 1.975 -6.446 9.154 1.00 0.03 H HETATM 1614 H21 GLU A 69 2.133 -7.281 11.428 1.00 0.08 H HETATM 1615 H20 GLU A 69 2.463 -9.159 9.222 1.00 0.19 H HETATM 1616 CB GLU A 69 3.244 -12.114 10.706 1.00 -0.00 C HETATM 1617 CG1 GLU A 69 1.908 -12.069 9.957 1.00 -0.05 C HETATM 1618 CD1 GLU A 69 1.025 -13.275 10.225 1.00 -0.06 C HETATM 1619 H17 GLU A 69 0.088 -13.176 9.658 1.00 0.02 H HETATM 1620 H18 GLU A 69 0.799 -13.332 11.300 1.00 0.02 H HETATM 1621 H19 GLU A 69 1.549 -14.190 9.911 1.00 0.02 H HETATM 1622 H12 GLU A 69 2.115 -12.021 8.878 1.00 0.03 H HETATM 1623 H13 GLU A 69 1.365 -11.164 10.267 1.00 0.03 H HETATM 1624 CG2 GLU A 69 3.016 -12.412 12.180 1.00 -0.06 C HETATM 1625 H14 GLU A 69 3.984 -12.441 12.702 1.00 0.02 H HETATM 1626 H15 GLU A 69 2.514 -13.385 12.284 1.00 0.02 H HETATM 1627 H16 GLU A 69 2.385 -11.625 12.620 1.00 0.02 H HETATM 1628 H11 GLU A 69 3.847 -12.929 10.280 1.00 0.03 H HETATM 1629 H10 GLU A 69 4.228 -10.637 9.456 1.00 0.08 H HETATM 1630 H9 GLU A 69 5.472 -11.581 11.897 1.00 0.19 H HETATM 1631 CB GLU A 69 7.349 -9.316 13.204 1.00 0.02 C HETATM 1632 CG GLU A 69 6.512 -8.040 13.157 1.00 0.01 C HETATM 1633 CD GLU A 69 7.280 -6.801 12.706 1.00 0.04 C HETATM 1634 OE1 GLU A 69 6.946 -5.700 13.200 1.00 -0.57 O HETATM 1635 OE2 GLU A 69 8.190 -6.906 11.855 1.00 -0.57 O HETATM 1636 H7 GLU A 69 6.115 -7.851 14.165 1.00 0.04 H HETATM 1637 H8 GLU A 69 5.678 -8.201 12.459 1.00 0.04 H HETATM 1638 H5 GLU A 69 8.347 -9.053 13.585 1.00 0.04 H HETATM 1639 H6 GLU A 69 6.863 -10.014 13.902 1.00 0.04 H HETATM 1640 H4 GLU A 69 7.732 -11.102 12.061 1.00 0.11 H HETATM 1641 H1 GLU A 69 9.499 -9.556 11.703 1.00 0.20 H HETATM 1642 H2 GLU A 69 8.490 -8.507 10.932 1.00 0.20 H HETATM 1643 H3 GLU A 69 8.800 -9.984 10.275 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1473 1474 1641 1642 1643 CONECT 1474 1473 1475 1631 1640 CONECT 1475 1474 1476 1477 CONECT 1476 1475 CONECT 1477 1475 1478 1630 CONECT 1478 1477 1479 1616 1629 CONECT 1479 1478 1480 1481 CONECT 1480 1479 CONECT 1481 1479 1482 1615 CONECT 1482 1481 1483 1596 1614 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1595 CONECT 1486 1485 1487 1585 1594 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1584 CONECT 1490 1489 1491 1572 1583 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 1494 1571 CONECT 1494 1493 1495 1569 1570 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1568 CONECT 1498 1497 1499 1561 1567 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 1502 1560 CONECT 1502 1501 1503 1558 1559 CONECT 1503 1502 1504 1505 CONECT 1504 1503 CONECT 1505 1503 1506 1557 CONECT 1506 1505 1507 1552 1556 CONECT 1507 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1551 CONECT 1510 1509 1511 1541 1550 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1540 CONECT 1514 1513 1515 1533 1539 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1532 CONECT 1518 1517 1519 1522 1531 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1518 1523 1529 1530 CONECT 1523 1522 1524 1527 1528 CONECT 1524 1523 1525 1526 CONECT 1525 1524 CONECT 1526 1524 CONECT 1527 1523 CONECT 1528 1523 CONECT 1529 1522 CONECT 1530 1522 CONECT 1531 1518 CONECT 1532 1517 CONECT 1533 1514 1534 1537 1538 CONECT 1534 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1533 CONECT 1538 1533 CONECT 1539 1514 CONECT 1540 1513 CONECT 1541 1510 1542 1548 1549 CONECT 1542 1541 1543 1546 1547 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1542 CONECT 1547 1542 CONECT 1548 1541 CONECT 1549 1541 CONECT 1550 1510 CONECT 1551 1509 CONECT 1552 1506 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1552 CONECT 1556 1506 CONECT 1557 1505 CONECT 1558 1502 CONECT 1559 1502 CONECT 1560 1501 CONECT 1561 1498 1562 1565 1566 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1561 CONECT 1566 1561 CONECT 1567 1498 CONECT 1568 1497 CONECT 1569 1494 CONECT 1570 1494 CONECT 1571 1493 CONECT 1572 1490 1573 1581 1582 CONECT 1573 1572 1574 1579 1580 CONECT 1574 1573 1575 1576 CONECT 1575 1574 CONECT 1576 1574 1577 1578 CONECT 1577 1576 CONECT 1578 1576 CONECT 1579 1573 CONECT 1580 1573 CONECT 1581 1572 CONECT 1582 1572 CONECT 1583 1490 CONECT 1584 1489 CONECT 1585 1486 1586 1592 1593 CONECT 1586 1585 1587 1590 1591 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 CONECT 1590 1586 CONECT 1591 1586 CONECT 1592 1585 CONECT 1593 1585 CONECT 1594 1486 CONECT 1595 1485 CONECT 1596 1482 1597 1612 1613 CONECT 1597 1596 1598 1610 1611 CONECT 1598 1597 1599 1608 1609 CONECT 1599 1598 1600 1607 CONECT 1600 1599 1601 1604 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1600 1605 1606 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1599 CONECT 1608 1598 CONECT 1609 1598 CONECT 1610 1597 CONECT 1611 1597 CONECT 1612 1596 CONECT 1613 1596 CONECT 1614 1482 CONECT 1615 1481 CONECT 1616 1478 1617 1624 1628 CONECT 1617 1616 1618 1622 1623 CONECT 1618 1617 1619 1620 1621 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1618 CONECT 1622 1617 CONECT 1623 1617 CONECT 1624 1616 1625 1626 1627 CONECT 1625 1624 CONECT 1626 1624 CONECT 1627 1624 CONECT 1628 1616 CONECT 1629 1478 CONECT 1630 1477 CONECT 1631 1474 1632 1638 1639 CONECT 1632 1631 1633 1636 1637 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1632 CONECT 1637 1632 CONECT 1638 1631 CONECT 1639 1631 CONECT 1640 1474 CONECT 1641 1473 CONECT 1642 1473 CONECT 1643 1473 MASTER 0 0 0 0 0 0 0 0 1642 1 175 12 END
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PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
4z68
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tankyrase-2
Ligand Name
12-mer
EC.Number
E.C.2.4.2.30
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
Kd=0.32uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016)Structure Vol.24: pp.1-9
Ligand Properties
Formula
C
5
2
H
8
4
N
1
6
O
2
6
Molecular Weight
1349.310
Exact Mass
1348.570
No. of atoms
178
No. of bonds
177
Polar Surface Area
717.94
LOGP Value
0.23 (
Computed with XLOGP3
)
-5.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)O)CCC(=O)N)CCC(=O)O)CCC[NH+]=C(N)N)NC(=O)[C@H](CCC(=O)O)[NH3+])C
InChI String
InChI=1S/C52H82N16O26/c1-4-22(2)41(68-43(85)24(53)7-13-35(72)73)50(92)65-25(6-5-17-57-52(55)56)46(88)64-28(10-15-37(76)77)47(89)63-26(8-12-32(54)69)44(86)58-21-34(71)61-30(18-39(80)81)45(87)59-20-33(70)60-23(3)42(84)62-27(9-14-36(74)75)48(90)67-31(19-40(82)83)49(91)66-29(51(93)94)11-16-38(78)79/h22-31,41H,4-21,53H2,1-3H3,(H2,54,69)(H,58,86)(H,59,87)(H,60,70)(H,61,71)(H,62,84)(H,63,89)(H,64,88)(H,65,92)(H,66,91)(H,67,90)(H,68,85)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)(H4,55,56,57)/p+2/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,41-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7Z6K5
Q9H2K2
Entrez Gene ID
NCBI Entrez Gene ID:
348110
80351
ASD
Information of known allosteric effects of PDB entries
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