Browse entries in the PDBbind-CN Database
HEADER 5HJC_COMPLEX COMPND 5HJC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 LYS LEU SER GLU HIS LEU ARG TYR CYS ASP SER ILE LEU SEQRES 2 A 110 ARG GLU MET LEU SER LYS LYS HIS ALA ALA TYR ALA TRP SEQRES 3 A 110 PRO PHE TYR LYS PRO VAL ASP ALA GLU ALA LEU GLU LEU SEQRES 4 A 110 HIS ASP TYR HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SEQRES 5 A 110 SER THR VAL LYS ARG LYS MET ASP GLY ARG GLU TYR PRO SEQRES 6 A 110 ASP ALA GLN GLY PHE ALA ALA ASP VAL ARG LEU MET PHE SEQRES 7 A 110 SER ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS GLU VAL SEQRES 8 A 110 VAL ALA MET ALA ARG LYS LEU GLN ASP VAL PHE GLU MET SEQRES 9 A 110 ARG PHE ALA LYS MET PRO HET ALA A 163 159 ATOM 1 N LYS A 307 -0.986 -20.309 -0.118 1.00 69.36 N ATOM 2 CA LYS A 307 -0.625 -21.493 -0.890 1.00 69.27 C ATOM 3 C LYS A 307 -1.626 -21.769 -2.006 1.00 64.00 C ATOM 4 O LYS A 307 -1.241 -22.168 -3.106 1.00 65.10 O ATOM 5 CB LYS A 307 -0.524 -22.720 0.019 1.00 58.32 C ATOM 6 CG LYS A 307 -0.357 -24.028 -0.740 1.00 50.81 C ATOM 7 CD LYS A 307 -0.636 -25.231 0.142 1.00 53.40 C ATOM 8 CE LYS A 307 -0.730 -26.503 -0.686 1.00 48.25 C ATOM 9 NZ LYS A 307 -1.055 -27.691 0.152 1.00 38.15 N ATOM 10 HZ1 LYS A 307 -0.312 -27.823 0.868 1.00 0.00 H ATOM 11 HZ2 LYS A 307 -1.970 -27.541 0.624 1.00 0.00 H ATOM 12 HZ3 LYS A 307 -1.109 -28.536 -0.452 1.00 0.00 H ATOM 13 HN3 LYS A 307 -1.923 -20.449 0.311 1.00 0.00 H ATOM 14 HN2 LYS A 307 -1.011 -19.481 -0.747 1.00 0.00 H ATOM 15 HN1 LYS A 307 -0.280 -20.156 0.631 1.00 0.00 H ATOM 16 N LEU A 308 -2.904 -21.545 -1.704 1.00 63.73 N ATOM 17 CA LEU A 308 -4.018 -21.904 -2.583 1.00 57.75 C ATOM 18 C LEU A 308 -3.798 -21.592 -4.058 1.00 54.72 C ATOM 19 O LEU A 308 -3.362 -20.499 -4.422 1.00 56.47 O ATOM 20 CB LEU A 308 -5.297 -21.204 -2.119 1.00 50.88 C ATOM 21 CG LEU A 308 -5.926 -21.695 -0.815 1.00 53.01 C ATOM 22 CD1 LEU A 308 -7.237 -20.967 -0.550 1.00 51.53 C ATOM 23 CD2 LEU A 308 -6.138 -23.201 -0.856 1.00 49.78 C ATOM 24 H LEU A 308 -3.122 -21.090 -0.794 1.00 0.00 H ATOM 25 N SER A 309 -4.104 -22.575 -4.898 1.00 46.81 N ATOM 26 CA SER A 309 -4.082 -22.401 -6.342 1.00 48.83 C ATOM 27 C SER A 309 -5.209 -21.469 -6.768 1.00 49.16 C ATOM 28 O SER A 309 -6.108 -21.176 -5.980 1.00 48.87 O ATOM 29 CB SER A 309 -4.210 -23.752 -7.045 1.00 46.71 C ATOM 30 OG SER A 309 -5.348 -24.455 -6.576 1.00 47.40 O ATOM 31 HG SER A 309 -5.412 -25.326 -7.043 1.00 0.00 H ATOM 32 H SER A 309 -4.369 -23.502 -4.509 1.00 0.00 H ATOM 33 N GLU A 310 -5.158 -21.008 -8.014 1.00 45.75 N ATOM 34 CA GLU A 310 -6.163 -20.087 -8.535 1.00 48.23 C ATOM 35 C GLU A 310 -7.564 -20.690 -8.481 1.00 50.47 C ATOM 36 O GLU A 310 -8.533 -20.004 -8.150 1.00 44.08 O ATOM 37 CB GLU A 310 -5.830 -19.684 -9.972 1.00 47.52 C ATOM 38 CG GLU A 310 -6.770 -18.635 -10.548 1.00 53.49 C ATOM 39 CD GLU A 310 -6.637 -18.494 -12.051 1.00 66.31 C ATOM 40 OE1 GLU A 310 -6.611 -17.346 -12.544 1.00 70.30 O ATOM 41 OE2 GLU A 310 -6.564 -19.534 -12.739 1.00 59.94 O ATOM 42 H GLU A 310 -4.381 -21.312 -8.634 1.00 0.00 H ATOM 43 N HIS A 311 -7.664 -21.974 -8.809 1.00 48.95 N ATOM 44 CA HIS A 311 -8.943 -22.675 -8.784 1.00 39.50 C ATOM 45 C HIS A 311 -9.478 -22.812 -7.363 1.00 37.65 C ATOM 46 O HIS A 311 -10.674 -22.657 -7.126 1.00 36.72 O ATOM 47 CB HIS A 311 -8.811 -24.056 -9.431 1.00 40.19 C ATOM 48 CG HIS A 311 -8.878 -24.031 -10.926 1.00 45.01 C ATOM 49 ND1 HIS A 311 -8.536 -25.115 -11.706 1.00 43.67 N ATOM 50 CD2 HIS A 311 -9.254 -23.055 -11.785 1.00 44.87 C ATOM 51 CE1 HIS A 311 -8.694 -24.806 -12.980 1.00 44.23 C ATOM 52 NE2 HIS A 311 -9.130 -23.561 -13.055 1.00 50.95 N ATOM 53 H HIS A 311 -6.808 -22.493 -9.091 1.00 0.00 H ATOM 54 N LEU A 312 -8.587 -23.098 -6.418 1.00 41.76 N ATOM 55 CA LEU A 312 -8.985 -23.259 -5.024 1.00 35.84 C ATOM 56 C LEU A 312 -9.272 -21.912 -4.362 1.00 37.00 C ATOM 57 O LEU A 312 -9.882 -21.856 -3.293 1.00 41.13 O ATOM 58 CB LEU A 312 -7.911 -24.019 -4.245 1.00 41.42 C ATOM 59 CG LEU A 312 -7.916 -25.536 -4.444 1.00 39.33 C ATOM 60 CD1 LEU A 312 -6.741 -26.181 -3.725 1.00 43.10 C ATOM 61 CD2 LEU A 312 -9.235 -26.127 -3.963 1.00 37.30 C ATOM 62 H LEU A 312 -7.586 -23.209 -6.678 1.00 0.00 H ATOM 63 N ARG A 313 -8.832 -20.830 -4.998 1.00 39.55 N ATOM 64 CA ARG A 313 -9.190 -19.490 -4.547 1.00 41.12 C ATOM 65 C ARG A 313 -10.625 -19.181 -4.948 1.00 37.56 C ATOM 66 O ARG A 313 -11.377 -18.566 -4.192 1.00 44.47 O ATOM 67 CB ARG A 313 -8.245 -18.439 -5.129 1.00 46.24 C ATOM 68 CG ARG A 313 -7.206 -17.920 -4.153 1.00 49.41 C ATOM 69 CD ARG A 313 -6.793 -16.504 -4.517 1.00 58.06 C ATOM 70 NE ARG A 313 -6.573 -16.361 -5.953 1.00 68.29 N ATOM 71 CZ ARG A 313 -5.417 -16.607 -6.559 1.00 73.63 C ATOM 72 NH1 ARG A 313 -4.371 -17.010 -5.850 1.00 73.14 N ATOM 73 NH2 ARG A 313 -5.306 -16.452 -7.873 1.00 58.50 N ATOM 74 HE ARG A 313 -7.373 -16.046 -6.539 1.00 0.00 H ATOM 75 HH12 ARG A 313 -3.465 -17.203 -6.323 1.00 0.00 H ATOM 76 HH11 ARG A 313 -4.457 -17.133 -4.821 1.00 0.00 H ATOM 77 HH22 ARG A 313 -4.400 -16.645 -8.345 1.00 0.00 H ATOM 78 HH21 ARG A 313 -6.126 -16.137 -8.431 1.00 0.00 H ATOM 79 H ARG A 313 -8.221 -20.941 -5.832 1.00 0.00 H ATOM 80 N TYR A 314 -10.991 -19.616 -6.149 1.00 36.89 N ATOM 81 CA TYR A 314 -12.343 -19.435 -6.659 1.00 35.75 C ATOM 82 C TYR A 314 -13.341 -20.222 -5.818 1.00 34.28 C ATOM 83 O TYR A 314 -14.481 -19.800 -5.633 1.00 33.13 O ATOM 84 CB TYR A 314 -12.425 -19.869 -8.125 1.00 29.12 C ATOM 85 CG TYR A 314 -13.749 -19.560 -8.787 1.00 28.65 C ATOM 86 CD1 TYR A 314 -13.971 -18.333 -9.399 1.00 34.18 C ATOM 87 CD2 TYR A 314 -14.775 -20.495 -8.804 1.00 24.58 C ATOM 88 CE1 TYR A 314 -15.178 -18.046 -10.006 1.00 34.26 C ATOM 89 CE2 TYR A 314 -15.984 -20.216 -9.408 1.00 29.78 C ATOM 90 CZ TYR A 314 -16.181 -18.991 -10.007 1.00 36.18 C ATOM 91 OH TYR A 314 -17.386 -18.711 -10.610 1.00 30.92 O ATOM 92 HH TYR A 314 -17.550 -19.364 -11.335 1.00 0.00 H ATOM 93 H TYR A 314 -10.289 -20.101 -6.744 1.00 0.00 H ATOM 94 N CYS A 315 -12.902 -21.369 -5.310 1.00 33.27 N ATOM 95 CA CYS A 315 -13.741 -22.200 -4.456 1.00 30.51 C ATOM 96 C CYS A 315 -14.000 -21.517 -3.119 1.00 33.60 C ATOM 97 O CYS A 315 -15.118 -21.539 -2.604 1.00 33.34 O ATOM 98 CB CYS A 315 -13.094 -23.567 -4.232 1.00 29.20 C ATOM 99 SG CYS A 315 -12.917 -24.567 -5.726 1.00 31.92 S ATOM 100 H CYS A 315 -11.934 -21.682 -5.528 1.00 0.00 H ATOM 101 N ASP A 316 -12.956 -20.911 -2.563 1.00 38.64 N ATOM 102 CA ASP A 316 -13.071 -20.183 -1.307 1.00 38.22 C ATOM 103 C ASP A 316 -13.998 -18.983 -1.486 1.00 36.20 C ATOM 104 O ASP A 316 -14.657 -18.549 -0.542 1.00 34.18 O ATOM 105 CB ASP A 316 -11.692 -19.733 -0.817 1.00 42.54 C ATOM 106 CG ASP A 316 -11.674 -19.411 0.664 1.00 40.94 C ATOM 107 OD1 ASP A 316 -12.448 -20.037 1.418 1.00 44.75 O ATOM 108 OD2 ASP A 316 -10.884 -18.535 1.076 1.00 44.43 O ATOM 109 H ASP A 316 -12.032 -20.958 -3.038 1.00 0.00 H ATOM 110 N SER A 317 -14.046 -18.460 -2.708 1.00 33.39 N ATOM 111 CA SER A 317 -14.951 -17.369 -3.050 1.00 28.98 C ATOM 112 C SER A 317 -16.399 -17.844 -3.032 1.00 34.18 C ATOM 113 O SER A 317 -17.279 -17.161 -2.509 1.00 31.47 O ATOM 114 CB SER A 317 -14.602 -16.789 -4.423 1.00 32.62 C ATOM 115 OG SER A 317 -15.548 -15.812 -4.821 1.00 43.32 O ATOM 116 HG SER A 317 -15.298 -15.455 -5.710 1.00 0.00 H ATOM 117 H SER A 317 -13.418 -18.842 -3.444 1.00 0.00 H ATOM 118 N ILE A 318 -16.638 -19.017 -3.610 1.00 32.05 N ATOM 119 CA ILE A 318 -17.967 -19.622 -3.608 1.00 28.65 C ATOM 120 C ILE A 318 -18.420 -19.924 -2.184 1.00 26.78 C ATOM 121 O ILE A 318 -19.552 -19.625 -1.801 1.00 25.68 O ATOM 122 CB ILE A 318 -17.999 -20.927 -4.431 1.00 26.52 C ATOM 123 CG1 ILE A 318 -17.529 -20.677 -5.864 1.00 29.24 C ATOM 124 CG2 ILE A 318 -19.395 -21.528 -4.430 1.00 22.12 C ATOM 125 CD1 ILE A 318 -17.426 -21.941 -6.691 1.00 28.28 C ATOM 126 H ILE A 318 -15.856 -19.518 -4.077 1.00 0.00 H ATOM 127 N LEU A 319 -17.522 -20.524 -1.409 1.00 28.26 N ATOM 128 CA LEU A 319 -17.792 -20.859 -0.016 1.00 31.93 C ATOM 129 C LEU A 319 -18.132 -19.612 0.788 1.00 25.76 C ATOM 130 O LEU A 319 -19.032 -19.631 1.627 1.00 26.82 O ATOM 131 CB LEU A 319 -16.590 -21.577 0.599 1.00 26.56 C ATOM 132 CG LEU A 319 -16.590 -21.778 2.113 1.00 30.54 C ATOM 133 CD1 LEU A 319 -17.753 -22.655 2.549 1.00 30.02 C ATOM 134 CD2 LEU A 319 -15.270 -22.379 2.552 1.00 29.39 C ATOM 135 H LEU A 319 -16.593 -20.763 -1.811 1.00 0.00 H ATOM 136 N ARG A 320 -17.411 -18.530 0.516 1.00 30.82 N ATOM 137 CA ARG A 320 -17.638 -17.261 1.193 1.00 34.17 C ATOM 138 C ARG A 320 -19.019 -16.703 0.856 1.00 31.29 C ATOM 139 O ARG A 320 -19.637 -16.021 1.672 1.00 34.09 O ATOM 140 CB ARG A 320 -16.542 -16.260 0.817 1.00 35.07 C ATOM 141 CG ARG A 320 -16.502 -15.008 1.674 1.00 45.83 C ATOM 142 CD ARG A 320 -15.196 -14.252 1.483 1.00 48.23 C ATOM 143 NE ARG A 320 -14.941 -13.933 0.080 1.00 59.89 N ATOM 144 CZ ARG A 320 -13.958 -14.463 -0.640 1.00 51.56 C ATOM 145 NH1 ARG A 320 -13.129 -15.337 -0.088 1.00 39.45 N ATOM 146 NH2 ARG A 320 -13.802 -14.115 -1.911 1.00 43.36 N ATOM 147 HE ARG A 320 -15.569 -13.247 -0.385 1.00 0.00 H ATOM 148 HH12 ARG A 320 -12.360 -15.752 -0.652 1.00 0.00 H ATOM 149 HH11 ARG A 320 -13.248 -15.608 0.909 1.00 0.00 H ATOM 150 HH22 ARG A 320 -13.032 -14.531 -2.473 1.00 0.00 H ATOM 151 HH21 ARG A 320 -14.450 -13.427 -2.345 1.00 0.00 H ATOM 152 H ARG A 320 -16.662 -18.591 -0.202 1.00 0.00 H ATOM 153 N GLU A 321 -19.501 -17.003 -0.347 1.00 31.58 N ATOM 154 CA GLU A 321 -20.817 -16.540 -0.780 1.00 28.97 C ATOM 155 C GLU A 321 -21.934 -17.377 -0.160 1.00 28.39 C ATOM 156 O GLU A 321 -22.994 -16.854 0.187 1.00 30.27 O ATOM 157 CB GLU A 321 -20.923 -16.570 -2.307 1.00 24.53 C ATOM 158 CG GLU A 321 -22.279 -16.139 -2.846 1.00 30.31 C ATOM 159 CD GLU A 321 -22.328 -16.118 -4.360 1.00 38.02 C ATOM 160 OE1 GLU A 321 -21.252 -16.156 -4.994 1.00 43.10 O ATOM 161 OE2 GLU A 321 -23.445 -16.065 -4.914 1.00 39.87 O ATOM 162 H GLU A 321 -18.928 -17.581 -0.994 1.00 0.00 H ATOM 163 N MET A 322 -21.690 -18.677 -0.019 1.00 27.30 N ATOM 164 CA MET A 322 -22.677 -19.580 0.565 1.00 25.81 C ATOM 165 C MET A 322 -22.892 -19.291 2.050 1.00 28.10 C ATOM 166 O MET A 322 -23.913 -19.672 2.621 1.00 28.09 O ATOM 167 CB MET A 322 -22.256 -21.041 0.369 1.00 21.64 C ATOM 168 CG MET A 322 -22.460 -21.560 -1.048 1.00 27.41 C ATOM 169 SD MET A 322 -22.175 -23.335 -1.211 1.00 25.43 S ATOM 170 CE MET A 322 -20.409 -23.428 -0.929 1.00 22.01 C ATOM 171 H MET A 322 -20.775 -19.059 -0.332 1.00 0.00 H ATOM 172 N LEU A 323 -21.932 -18.607 2.665 1.00 24.05 N ATOM 173 CA LEU A 323 -21.998 -18.290 4.088 1.00 20.72 C ATOM 174 C LEU A 323 -22.462 -16.857 4.343 1.00 24.64 C ATOM 175 O LEU A 323 -22.579 -16.431 5.492 1.00 31.06 O ATOM 176 CB LEU A 323 -20.633 -18.515 4.743 1.00 23.81 C ATOM 177 CG LEU A 323 -20.195 -19.964 4.955 1.00 24.71 C ATOM 178 CD1 LEU A 323 -18.721 -20.026 5.327 1.00 21.67 C ATOM 179 CD2 LEU A 323 -21.048 -20.618 6.030 1.00 20.86 C ATOM 180 H LEU A 323 -21.109 -18.288 2.115 1.00 0.00 H ATOM 181 N SER A 324 -22.724 -16.116 3.270 1.00 25.42 N ATOM 182 CA SER A 324 -23.141 -14.722 3.387 1.00 28.40 C ATOM 183 C SER A 324 -24.639 -14.602 3.661 1.00 25.71 C ATOM 184 O SER A 324 -25.379 -15.579 3.542 1.00 25.08 O ATOM 185 CB SER A 324 -22.779 -13.950 2.117 1.00 24.80 C ATOM 186 OG SER A 324 -23.444 -14.490 0.987 1.00 28.42 O ATOM 187 HG SER A 324 -23.178 -15.437 0.870 1.00 0.00 H ATOM 188 H SER A 324 -22.630 -16.540 2.325 1.00 0.00 H ATOM 189 N LYS A 325 -25.079 -13.398 4.018 1.00 24.37 N ATOM 190 CA LYS A 325 -26.486 -13.144 4.325 1.00 26.99 C ATOM 191 C LYS A 325 -27.379 -13.281 3.095 1.00 28.34 C ATOM 192 O LYS A 325 -28.600 -13.386 3.214 1.00 28.14 O ATOM 193 CB LYS A 325 -26.667 -11.746 4.921 1.00 26.97 C ATOM 194 CG LYS A 325 -25.770 -11.432 6.104 1.00 36.36 C ATOM 195 CD LYS A 325 -26.191 -10.128 6.761 1.00 32.45 C ATOM 196 CE LYS A 325 -25.067 -9.533 7.585 1.00 36.75 C ATOM 197 NZ LYS A 325 -23.934 -9.105 6.721 1.00 41.39 N ATOM 198 HZ1 LYS A 325 -23.566 -9.927 6.202 1.00 0.00 H ATOM 199 HZ2 LYS A 325 -24.266 -8.387 6.046 1.00 0.00 H ATOM 200 HZ3 LYS A 325 -23.181 -8.702 7.314 1.00 0.00 H ATOM 201 H LYS A 325 -24.400 -12.612 4.081 1.00 0.00 H ATOM 202 N LYS A 326 -26.762 -13.271 1.919 1.00 25.70 N ATOM 203 CA LYS A 326 -27.487 -13.331 0.656 1.00 24.66 C ATOM 204 C LYS A 326 -28.300 -14.618 0.523 1.00 25.63 C ATOM 205 O LYS A 326 -29.372 -14.623 -0.084 1.00 24.70 O ATOM 206 CB LYS A 326 -26.504 -13.205 -0.511 1.00 27.55 C ATOM 207 CG LYS A 326 -27.145 -13.001 -1.875 1.00 30.26 C ATOM 208 CD LYS A 326 -26.084 -12.728 -2.932 1.00 31.88 C ATOM 209 CE LYS A 326 -26.704 -12.396 -4.280 1.00 57.78 C ATOM 210 NZ LYS A 326 -27.490 -13.529 -4.838 1.00 50.44 N ATOM 211 HZ1 LYS A 326 -26.867 -14.352 -4.965 1.00 0.00 H ATOM 212 HZ2 LYS A 326 -28.259 -13.772 -4.182 1.00 0.00 H ATOM 213 HZ3 LYS A 326 -27.891 -13.252 -5.757 1.00 0.00 H ATOM 214 H LYS A 326 -25.724 -13.218 1.899 1.00 0.00 H ATOM 215 N HIS A 327 -27.792 -15.703 1.102 1.00 21.34 N ATOM 216 CA HIS A 327 -28.428 -17.009 0.970 1.00 23.24 C ATOM 217 C HIS A 327 -28.834 -17.605 2.317 1.00 22.26 C ATOM 218 O HIS A 327 -29.186 -18.782 2.397 1.00 19.65 O ATOM 219 CB HIS A 327 -27.491 -17.980 0.247 1.00 21.50 C ATOM 220 CG HIS A 327 -26.952 -17.453 -1.047 1.00 21.83 C ATOM 221 ND1 HIS A 327 -27.737 -17.283 -2.167 1.00 22.95 N ATOM 222 CD2 HIS A 327 -25.704 -17.065 -1.401 1.00 22.86 C ATOM 223 CE1 HIS A 327 -26.997 -16.809 -3.153 1.00 23.74 C ATOM 224 NE2 HIS A 327 -25.759 -16.668 -2.715 1.00 26.59 N ATOM 225 H HIS A 327 -26.920 -15.618 1.662 1.00 0.00 H ATOM 226 N ALA A 328 -28.798 -16.783 3.364 1.00 22.57 N ATOM 227 CA ALA A 328 -29.018 -17.240 4.736 1.00 19.77 C ATOM 228 C ALA A 328 -30.353 -17.958 4.934 1.00 21.96 C ATOM 229 O ALA A 328 -30.469 -18.832 5.793 1.00 24.17 O ATOM 230 CB ALA A 328 -28.915 -16.061 5.698 1.00 20.83 C ATOM 231 H ALA A 328 -28.605 -15.774 3.199 1.00 0.00 H ATOM 232 N ALA A 329 -31.350 -17.592 4.134 1.00 19.98 N ATOM 233 CA ALA A 329 -32.695 -18.148 4.265 1.00 18.89 C ATOM 234 C ALA A 329 -32.718 -19.663 4.077 1.00 19.95 C ATOM 235 O ALA A 329 -33.562 -20.353 4.649 1.00 21.16 O ATOM 236 CB ALA A 329 -33.636 -17.485 3.269 1.00 18.94 C ATOM 237 H ALA A 329 -31.167 -16.887 3.391 1.00 0.00 H ATOM 238 N TYR A 330 -31.787 -20.173 3.278 1.00 19.85 N ATOM 239 CA TYR A 330 -31.745 -21.598 2.966 1.00 19.25 C ATOM 240 C TYR A 330 -30.371 -22.216 3.220 1.00 19.54 C ATOM 241 O TYR A 330 -30.166 -23.404 2.970 1.00 20.27 O ATOM 242 CB TYR A 330 -32.166 -21.838 1.508 1.00 19.15 C ATOM 243 CG TYR A 330 -31.638 -20.821 0.515 1.00 25.44 C ATOM 244 CD1 TYR A 330 -32.359 -19.671 0.221 1.00 25.21 C ATOM 245 CD2 TYR A 330 -30.429 -21.019 -0.141 1.00 24.18 C ATOM 246 CE1 TYR A 330 -31.888 -18.742 -0.687 1.00 23.39 C ATOM 247 CE2 TYR A 330 -29.951 -20.095 -1.052 1.00 19.03 C ATOM 248 CZ TYR A 330 -30.685 -18.958 -1.319 1.00 24.21 C ATOM 249 OH TYR A 330 -30.215 -18.034 -2.224 1.00 24.93 O ATOM 250 HH TYR A 330 -29.340 -17.689 -1.917 1.00 0.00 H ATOM 251 H TYR A 330 -31.071 -19.542 2.865 1.00 0.00 H ATOM 252 N ALA A 331 -29.437 -21.418 3.726 1.00 24.47 N ATOM 253 CA ALA A 331 -28.072 -21.893 3.930 1.00 19.05 C ATOM 254 C ALA A 331 -27.752 -22.167 5.397 1.00 20.16 C ATOM 255 O ALA A 331 -26.819 -22.910 5.700 1.00 21.13 O ATOM 256 CB ALA A 331 -27.079 -20.892 3.362 1.00 16.82 C ATOM 257 H ALA A 331 -29.682 -20.440 3.981 1.00 0.00 H ATOM 258 N TRP A 332 -28.526 -21.576 6.303 1.00 18.62 N ATOM 259 CA TRP A 332 -28.242 -21.684 7.735 1.00 18.55 C ATOM 260 C TRP A 332 -28.301 -23.109 8.322 1.00 18.55 C ATOM 261 O TRP A 332 -27.607 -23.385 9.302 1.00 22.28 O ATOM 262 CB TRP A 332 -29.176 -20.761 8.538 1.00 19.27 C ATOM 263 CG TRP A 332 -30.620 -21.178 8.615 1.00 18.11 C ATOM 264 CD1 TRP A 332 -31.649 -20.707 7.853 1.00 19.11 C ATOM 265 CD2 TRP A 332 -31.196 -22.130 9.521 1.00 16.74 C ATOM 266 NE1 TRP A 332 -32.825 -21.313 8.219 1.00 17.32 N ATOM 267 CE2 TRP A 332 -32.574 -22.194 9.240 1.00 14.82 C ATOM 268 CE3 TRP A 332 -30.678 -22.943 10.535 1.00 16.76 C ATOM 269 CZ2 TRP A 332 -33.442 -23.034 9.934 1.00 17.65 C ATOM 270 CZ3 TRP A 332 -31.540 -23.775 11.225 1.00 16.30 C ATOM 271 CH2 TRP A 332 -32.908 -23.815 10.922 1.00 17.91 C ATOM 272 HE1 TRP A 332 -33.756 -21.133 7.791 1.00 0.00 H ATOM 273 H TRP A 332 -29.350 -21.026 5.987 1.00 0.00 H ATOM 274 N PRO A 333 -29.110 -24.025 7.745 1.00 23.79 N ATOM 275 CA PRO A 333 -29.013 -25.365 8.339 1.00 19.29 C ATOM 276 C PRO A 333 -27.703 -26.085 8.011 1.00 21.96 C ATOM 277 O PRO A 333 -27.490 -27.202 8.483 1.00 19.95 O ATOM 278 CB PRO A 333 -30.200 -26.113 7.720 1.00 15.80 C ATOM 279 CG PRO A 333 -31.136 -25.052 7.276 1.00 19.15 C ATOM 280 CD PRO A 333 -30.257 -23.934 6.822 1.00 19.51 C ATOM 281 N PHE A 334 -26.838 -25.451 7.225 1.00 21.70 N ATOM 282 CA PHE A 334 -25.588 -26.072 6.810 1.00 23.10 C ATOM 283 C PHE A 334 -24.372 -25.307 7.328 1.00 24.40 C ATOM 284 O PHE A 334 -23.233 -25.643 7.002 1.00 26.14 O ATOM 285 CB PHE A 334 -25.538 -26.179 5.285 1.00 19.91 C ATOM 286 CG PHE A 334 -26.746 -26.842 4.685 1.00 19.68 C ATOM 287 CD1 PHE A 334 -26.836 -28.222 4.626 1.00 16.60 C ATOM 288 CD2 PHE A 334 -27.791 -26.084 4.182 1.00 19.74 C ATOM 289 CE1 PHE A 334 -27.948 -28.836 4.076 1.00 17.75 C ATOM 290 CE2 PHE A 334 -28.904 -26.690 3.630 1.00 14.62 C ATOM 291 CZ PHE A 334 -28.982 -28.068 3.578 1.00 13.77 C ATOM 292 H PHE A 334 -27.059 -24.489 6.899 1.00 0.00 H ATOM 293 N TYR A 335 -24.620 -24.281 8.136 1.00 23.67 N ATOM 294 CA TYR A 335 -23.544 -23.487 8.722 1.00 22.11 C ATOM 295 C TYR A 335 -22.647 -24.336 9.617 1.00 24.04 C ATOM 296 O TYR A 335 -21.424 -24.305 9.497 1.00 31.58 O ATOM 297 CB TYR A 335 -24.111 -22.315 9.529 1.00 15.91 C ATOM 298 CG TYR A 335 -24.627 -21.165 8.696 1.00 18.39 C ATOM 299 CD1 TYR A 335 -24.488 -21.163 7.314 1.00 19.46 C ATOM 300 CD2 TYR A 335 -25.240 -20.070 9.294 1.00 17.27 C ATOM 301 CE1 TYR A 335 -24.955 -20.110 6.552 1.00 17.28 C ATOM 302 CE2 TYR A 335 -25.708 -19.012 8.537 1.00 19.79 C ATOM 303 CZ TYR A 335 -25.563 -19.038 7.169 1.00 17.98 C ATOM 304 OH TYR A 335 -26.028 -17.987 6.411 1.00 19.94 O ATOM 305 HH TYR A 335 -25.845 -18.165 5.455 1.00 0.00 H ATOM 306 H TYR A 335 -25.607 -24.037 8.357 1.00 0.00 H ATOM 307 N LYS A 336 -23.274 -25.090 10.514 1.00 21.08 N ATOM 308 CA LYS A 336 -22.565 -25.934 11.467 1.00 22.00 C ATOM 309 C LYS A 336 -22.937 -27.400 11.242 1.00 24.18 C ATOM 310 O LYS A 336 -23.899 -27.687 10.527 1.00 25.17 O ATOM 311 CB LYS A 336 -22.898 -25.504 12.902 1.00 29.87 C ATOM 312 CG LYS A 336 -22.498 -24.077 13.241 1.00 30.59 C ATOM 313 CD LYS A 336 -20.989 -23.904 13.226 1.00 32.26 C ATOM 314 CE LYS A 336 -20.598 -22.511 13.686 1.00 39.99 C ATOM 315 NZ LYS A 336 -19.123 -22.326 13.722 1.00 42.86 N ATOM 316 HZ1 LYS A 336 -18.705 -23.014 14.380 1.00 0.00 H ATOM 317 HZ2 LYS A 336 -18.733 -22.474 12.769 1.00 0.00 H ATOM 318 HZ3 LYS A 336 -18.904 -21.361 14.042 1.00 0.00 H ATOM 319 H LYS A 336 -24.314 -25.077 10.537 1.00 0.00 H ATOM 320 N PRO A 337 -22.167 -28.335 11.835 1.00 28.80 N ATOM 321 CA PRO A 337 -22.550 -29.752 11.767 1.00 24.89 C ATOM 322 C PRO A 337 -23.960 -30.002 12.295 1.00 23.91 C ATOM 323 O PRO A 337 -24.438 -29.255 13.150 1.00 28.80 O ATOM 324 CB PRO A 337 -21.515 -30.440 12.662 1.00 18.16 C ATOM 325 CG PRO A 337 -20.324 -29.555 12.610 1.00 17.99 C ATOM 326 CD PRO A 337 -20.848 -28.153 12.471 1.00 21.42 C ATOM 327 N VAL A 338 -24.613 -31.041 11.787 1.00 21.93 N ATOM 328 CA VAL A 338 -25.952 -31.393 12.243 1.00 25.55 C ATOM 329 C VAL A 338 -25.912 -31.878 13.685 1.00 26.45 C ATOM 330 O VAL A 338 -25.350 -32.932 13.981 1.00 28.93 O ATOM 331 CB VAL A 338 -26.588 -32.479 11.356 1.00 30.38 C ATOM 332 CG1 VAL A 338 -27.907 -32.948 11.950 1.00 23.06 C ATOM 333 CG2 VAL A 338 -26.795 -31.950 9.950 1.00 25.35 C ATOM 334 H VAL A 338 -24.159 -31.616 11.048 1.00 0.00 H ATOM 335 N ASP A 339 -26.505 -31.098 14.582 1.00 26.18 N ATOM 336 CA ASP A 339 -26.530 -31.452 15.994 1.00 27.88 C ATOM 337 C ASP A 339 -27.567 -32.538 16.249 1.00 30.53 C ATOM 338 O ASP A 339 -28.734 -32.243 16.513 1.00 28.82 O ATOM 339 CB ASP A 339 -26.828 -30.223 16.855 1.00 32.43 C ATOM 340 CG ASP A 339 -26.397 -30.404 18.298 1.00 31.35 C ATOM 341 OD1 ASP A 339 -26.015 -31.532 18.673 1.00 34.17 O ATOM 342 OD2 ASP A 339 -26.441 -29.417 19.061 1.00 33.46 O ATOM 343 H ASP A 339 -26.960 -30.217 14.269 1.00 0.00 H ATOM 344 N ALA A 340 -27.132 -33.792 16.168 1.00 31.10 N ATOM 345 CA ALA A 340 -28.010 -34.932 16.407 1.00 27.80 C ATOM 346 C ALA A 340 -28.516 -34.935 17.847 1.00 30.64 C ATOM 347 O ALA A 340 -29.571 -35.496 18.142 1.00 35.82 O ATOM 348 CB ALA A 340 -27.287 -36.233 16.092 1.00 25.66 C ATOM 349 H ALA A 340 -26.135 -33.965 15.927 1.00 0.00 H ATOM 350 N GLU A 341 -27.755 -34.304 18.737 1.00 33.28 N ATOM 351 CA GLU A 341 -28.169 -34.135 20.127 1.00 31.33 C ATOM 352 C GLU A 341 -29.396 -33.240 20.243 1.00 27.52 C ATOM 353 O GLU A 341 -30.468 -33.688 20.650 1.00 31.00 O ATOM 354 CB GLU A 341 -27.034 -33.541 20.965 1.00 31.49 C ATOM 355 CG GLU A 341 -26.046 -34.543 21.525 1.00 32.30 C ATOM 356 CD GLU A 341 -25.161 -33.931 22.595 1.00 39.40 C ATOM 357 OE1 GLU A 341 -25.605 -33.852 23.760 1.00 39.12 O ATOM 358 OE2 GLU A 341 -24.028 -33.519 22.270 1.00 42.52 O ATOM 359 H GLU A 341 -26.838 -33.919 18.434 1.00 0.00 H ATOM 360 N ALA A 342 -29.220 -31.971 19.885 1.00 27.66 N ATOM 361 CA ALA A 342 -30.256 -30.955 20.046 1.00 28.76 C ATOM 362 C ALA A 342 -31.525 -31.295 19.276 1.00 31.90 C ATOM 363 O ALA A 342 -32.633 -31.127 19.783 1.00 35.36 O ATOM 364 CB ALA A 342 -29.727 -29.595 19.609 1.00 26.56 C ATOM 365 H ALA A 342 -28.307 -31.691 19.473 1.00 0.00 H ATOM 366 N LEU A 343 -31.355 -31.774 18.049 1.00 31.43 N ATOM 367 CA LEU A 343 -32.489 -32.112 17.199 1.00 27.97 C ATOM 368 C LEU A 343 -33.033 -33.495 17.547 1.00 32.07 C ATOM 369 O LEU A 343 -34.070 -33.911 17.029 1.00 31.10 O ATOM 370 CB LEU A 343 -32.088 -32.045 15.722 1.00 33.26 C ATOM 371 CG LEU A 343 -31.502 -30.708 15.254 1.00 21.05 C ATOM 372 CD1 LEU A 343 -31.077 -30.776 13.793 1.00 28.14 C ATOM 373 CD2 LEU A 343 -32.486 -29.570 15.478 1.00 20.91 C ATOM 374 H LEU A 343 -30.390 -31.911 17.686 1.00 0.00 H ATOM 375 N GLU A 344 -32.322 -34.190 18.433 1.00 33.70 N ATOM 376 CA GLU A 344 -32.703 -35.523 18.903 1.00 33.26 C ATOM 377 C GLU A 344 -32.874 -36.508 17.747 1.00 32.29 C ATOM 378 O GLU A 344 -33.896 -37.184 17.634 1.00 32.81 O ATOM 379 CB GLU A 344 -33.984 -35.451 19.742 1.00 33.69 C ATOM 380 CG GLU A 344 -33.877 -34.523 20.948 1.00 42.85 C ATOM 381 CD GLU A 344 -35.111 -34.556 21.832 1.00 52.79 C ATOM 382 OE1 GLU A 344 -35.147 -35.380 22.770 1.00 60.46 O ATOM 383 OE2 GLU A 344 -36.041 -33.755 21.594 1.00 55.78 O ATOM 384 H GLU A 344 -31.452 -33.764 18.810 1.00 0.00 H ATOM 385 N LEU A 345 -31.857 -36.578 16.893 1.00 31.87 N ATOM 386 CA LEU A 345 -31.846 -37.501 15.764 1.00 34.22 C ATOM 387 C LEU A 345 -30.993 -38.719 16.101 1.00 36.86 C ATOM 388 O LEU A 345 -29.811 -38.776 15.760 1.00 36.44 O ATOM 389 CB LEU A 345 -31.320 -36.805 14.508 1.00 34.33 C ATOM 390 CG LEU A 345 -31.964 -35.454 14.182 1.00 33.72 C ATOM 391 CD1 LEU A 345 -31.314 -34.815 12.963 1.00 39.06 C ATOM 392 CD2 LEU A 345 -33.462 -35.607 13.976 1.00 29.56 C ATOM 393 H LEU A 345 -31.039 -35.951 17.036 1.00 0.00 H ATOM 394 N HIS A 346 -31.603 -39.692 16.770 1.00 37.45 N ATOM 395 CA HIS A 346 -30.873 -40.831 17.326 1.00 37.50 C ATOM 396 C HIS A 346 -30.347 -41.796 16.266 1.00 38.46 C ATOM 397 O HIS A 346 -29.614 -42.733 16.581 1.00 41.71 O ATOM 398 CB HIS A 346 -31.765 -41.594 18.307 1.00 38.54 C ATOM 399 CG HIS A 346 -32.549 -40.708 19.226 1.00 49.82 C ATOM 400 ND1 HIS A 346 -31.952 -39.820 20.096 1.00 49.52 N ATOM 401 CD2 HIS A 346 -33.883 -40.576 19.413 1.00 48.37 C ATOM 402 CE1 HIS A 346 -32.884 -39.178 20.776 1.00 45.77 C ATOM 403 NE2 HIS A 346 -34.066 -39.619 20.382 1.00 52.45 N ATOM 404 H HIS A 346 -32.633 -39.642 16.903 1.00 0.00 H ATOM 405 N ASP A 347 -30.717 -41.566 15.011 1.00 38.22 N ATOM 406 CA ASP A 347 -30.337 -42.470 13.932 1.00 36.80 C ATOM 407 C ASP A 347 -29.509 -41.776 12.853 1.00 31.39 C ATOM 408 O ASP A 347 -29.197 -42.378 11.826 1.00 34.82 O ATOM 409 CB ASP A 347 -31.591 -43.086 13.307 1.00 34.26 C ATOM 410 CG ASP A 347 -32.508 -42.041 12.693 1.00 32.40 C ATOM 411 OD1 ASP A 347 -32.483 -40.879 13.154 1.00 33.95 O ATOM 412 OD2 ASP A 347 -33.253 -42.376 11.749 1.00 30.87 O ATOM 413 H ASP A 347 -31.289 -40.725 14.794 1.00 0.00 H ATOM 414 N TYR A 348 -29.156 -40.515 13.087 1.00 24.21 N ATOM 415 CA TYR A 348 -28.465 -39.716 12.078 1.00 26.47 C ATOM 416 C TYR A 348 -27.081 -40.263 11.739 1.00 29.47 C ATOM 417 O TYR A 348 -26.698 -40.321 10.571 1.00 31.56 O ATOM 418 CB TYR A 348 -28.340 -38.261 12.535 1.00 28.74 C ATOM 419 CG TYR A 348 -27.756 -37.348 11.481 1.00 24.82 C ATOM 420 CD1 TYR A 348 -28.550 -36.844 10.459 1.00 22.90 C ATOM 421 CD2 TYR A 348 -26.411 -36.995 11.502 1.00 23.42 C ATOM 422 CE1 TYR A 348 -28.024 -36.012 9.489 1.00 22.68 C ATOM 423 CE2 TYR A 348 -25.875 -36.163 10.535 1.00 26.23 C ATOM 424 CZ TYR A 348 -26.686 -35.675 9.531 1.00 28.51 C ATOM 425 OH TYR A 348 -26.159 -34.847 8.565 1.00 28.08 O ATOM 426 HH TYR A 348 -26.871 -34.591 7.927 1.00 0.00 H ATOM 427 H TYR A 348 -29.377 -40.088 14.009 1.00 0.00 H ATOM 428 N HIS A 349 -26.335 -40.662 12.764 1.00 29.11 N ATOM 429 CA HIS A 349 -24.969 -41.142 12.573 1.00 28.77 C ATOM 430 C HIS A 349 -24.933 -42.608 12.150 1.00 31.15 C ATOM 431 O HIS A 349 -23.891 -43.119 11.742 1.00 37.69 O ATOM 432 CB HIS A 349 -24.150 -40.940 13.850 1.00 29.76 C ATOM 433 CG HIS A 349 -23.860 -39.504 14.160 1.00 30.15 C ATOM 434 ND1 HIS A 349 -22.927 -38.766 13.464 1.00 25.13 N ATOM 435 CD2 HIS A 349 -24.378 -38.671 15.094 1.00 30.74 C ATOM 436 CE1 HIS A 349 -22.884 -37.540 13.954 1.00 27.91 C ATOM 437 NE2 HIS A 349 -23.754 -37.456 14.944 1.00 29.32 N ATOM 438 H HIS A 349 -26.733 -40.632 13.724 1.00 0.00 H ATOM 439 N ASP A 350 -26.075 -43.279 12.258 1.00 30.71 N ATOM 440 CA ASP A 350 -26.208 -44.647 11.770 1.00 37.40 C ATOM 441 C ASP A 350 -26.544 -44.633 10.283 1.00 39.68 C ATOM 442 O ASP A 350 -26.320 -45.613 9.571 1.00 41.10 O ATOM 443 CB ASP A 350 -27.285 -45.402 12.548 1.00 37.09 C ATOM 444 CG ASP A 350 -26.919 -45.607 14.003 1.00 50.45 C ATOM 445 OD1 ASP A 350 -25.735 -45.892 14.290 1.00 53.46 O ATOM 446 OD2 ASP A 350 -27.817 -45.485 14.864 1.00 53.00 O ATOM 447 H ASP A 350 -26.894 -42.817 12.702 1.00 0.00 H ATOM 448 N ILE A 351 -27.088 -43.509 9.826 1.00 35.61 N ATOM 449 CA ILE A 351 -27.477 -43.344 8.431 1.00 30.35 C ATOM 450 C ILE A 351 -26.434 -42.532 7.670 1.00 33.87 C ATOM 451 O ILE A 351 -26.034 -42.899 6.565 1.00 31.46 O ATOM 452 CB ILE A 351 -28.855 -42.661 8.316 1.00 24.73 C ATOM 453 CG1 ILE A 351 -29.942 -43.578 8.876 1.00 23.23 C ATOM 454 CG2 ILE A 351 -29.158 -42.296 6.868 1.00 23.61 C ATOM 455 CD1 ILE A 351 -31.283 -42.910 9.038 1.00 28.79 C ATOM 456 H ILE A 351 -27.241 -42.721 10.487 1.00 0.00 H ATOM 457 N ILE A 352 -25.995 -41.430 8.269 1.00 29.65 N ATOM 458 CA ILE A 352 -24.938 -40.613 7.684 1.00 28.03 C ATOM 459 C ILE A 352 -23.580 -41.035 8.233 1.00 28.93 C ATOM 460 O ILE A 352 -23.255 -40.767 9.389 1.00 32.82 O ATOM 461 CB ILE A 352 -25.154 -39.114 7.959 1.00 27.04 C ATOM 462 CG1 ILE A 352 -26.532 -38.676 7.460 1.00 26.94 C ATOM 463 CG2 ILE A 352 -24.048 -38.289 7.317 1.00 22.86 C ATOM 464 CD1 ILE A 352 -26.790 -39.008 6.010 1.00 29.06 C ATOM 465 H ILE A 352 -26.415 -41.143 9.176 1.00 0.00 H ATOM 466 N LYS A 353 -22.791 -41.699 7.397 1.00 33.26 N ATOM 467 CA LYS A 353 -21.498 -42.221 7.820 1.00 32.32 C ATOM 468 C LYS A 353 -20.406 -41.158 7.774 1.00 30.91 C ATOM 469 O LYS A 353 -19.464 -41.185 8.568 1.00 32.64 O ATOM 470 CB LYS A 353 -21.103 -43.414 6.949 1.00 30.17 C ATOM 471 CG LYS A 353 -22.037 -44.606 7.070 1.00 37.30 C ATOM 472 CD LYS A 353 -22.111 -45.090 8.506 1.00 43.90 C ATOM 473 CE LYS A 353 -23.004 -46.309 8.633 1.00 57.70 C ATOM 474 NZ LYS A 353 -23.088 -46.792 10.039 1.00 62.59 N ATOM 475 HZ1 LYS A 353 -22.137 -47.048 10.374 1.00 0.00 H ATOM 476 HZ2 LYS A 353 -23.477 -46.038 10.641 1.00 0.00 H ATOM 477 HZ3 LYS A 353 -23.708 -47.626 10.081 1.00 0.00 H ATOM 478 H LYS A 353 -23.103 -41.850 6.417 1.00 0.00 H ATOM 479 N HIS A 354 -20.532 -40.227 6.836 1.00 30.82 N ATOM 480 CA HIS A 354 -19.543 -39.168 6.686 1.00 28.07 C ATOM 481 C HIS A 354 -20.199 -37.790 6.651 1.00 25.86 C ATOM 482 O HIS A 354 -20.421 -37.233 5.577 1.00 24.02 O ATOM 483 CB HIS A 354 -18.712 -39.389 5.421 1.00 25.25 C ATOM 484 CG HIS A 354 -18.043 -40.727 5.365 1.00 34.04 C ATOM 485 ND1 HIS A 354 -16.877 -41.006 6.046 1.00 32.28 N ATOM 486 CD2 HIS A 354 -18.376 -41.864 4.709 1.00 39.91 C ATOM 487 CE1 HIS A 354 -16.522 -42.257 5.812 1.00 38.38 C ATOM 488 NE2 HIS A 354 -17.415 -42.800 5.004 1.00 42.96 N ATOM 489 H HIS A 354 -21.352 -40.254 6.197 1.00 0.00 H ATOM 490 N PRO A 355 -20.509 -37.237 7.836 1.00 29.17 N ATOM 491 CA PRO A 355 -21.125 -35.911 7.968 1.00 23.60 C ATOM 492 C PRO A 355 -20.258 -34.808 7.368 1.00 21.24 C ATOM 493 O PRO A 355 -19.036 -34.947 7.310 1.00 21.09 O ATOM 494 CB PRO A 355 -21.259 -35.734 9.485 1.00 23.74 C ATOM 495 CG PRO A 355 -21.255 -37.120 10.031 1.00 26.61 C ATOM 496 CD PRO A 355 -20.329 -37.890 9.143 1.00 25.47 C ATOM 497 N MET A 356 -20.892 -33.725 6.930 1.00 20.97 N ATOM 498 CA MET A 356 -20.178 -32.613 6.317 1.00 18.16 C ATOM 499 C MET A 356 -21.025 -31.345 6.348 1.00 20.77 C ATOM 500 O MET A 356 -22.245 -31.400 6.193 1.00 23.47 O ATOM 501 CB MET A 356 -19.785 -32.962 4.877 1.00 23.37 C ATOM 502 CG MET A 356 -18.950 -31.901 4.175 1.00 23.54 C ATOM 503 SD MET A 356 -17.412 -31.528 5.040 1.00 30.25 S ATOM 504 CE MET A 356 -16.669 -33.156 5.128 1.00 19.38 C ATOM 505 H MET A 356 -21.926 -33.670 7.028 1.00 0.00 H ATOM 506 N ASP A 357 -20.371 -30.207 6.556 1.00 20.69 N ATOM 507 CA ASP A 357 -21.057 -28.922 6.596 1.00 21.76 C ATOM 508 C ASP A 357 -20.125 -27.801 6.149 1.00 24.53 C ATOM 509 O ASP A 357 -18.953 -28.038 5.861 1.00 25.42 O ATOM 510 CB ASP A 357 -21.587 -28.643 7.999 1.00 24.08 C ATOM 511 CG ASP A 357 -20.477 -28.466 9.011 1.00 28.72 C ATOM 512 OD1 ASP A 357 -19.931 -29.484 9.487 1.00 25.28 O ATOM 513 OD2 ASP A 357 -20.145 -27.305 9.326 1.00 25.60 O ATOM 514 H ASP A 357 -19.341 -30.234 6.694 1.00 0.00 H ATOM 515 N LEU A 358 -20.649 -26.580 6.101 1.00 26.62 N ATOM 516 CA LEU A 358 -19.900 -25.442 5.577 1.00 22.82 C ATOM 517 C LEU A 358 -18.747 -25.010 6.482 1.00 25.63 C ATOM 518 O LEU A 358 -17.720 -24.535 5.997 1.00 27.36 O ATOM 519 CB LEU A 358 -20.841 -24.260 5.337 1.00 19.73 C ATOM 520 CG LEU A 358 -21.864 -24.437 4.212 1.00 24.83 C ATOM 521 CD1 LEU A 358 -22.816 -23.249 4.146 1.00 19.02 C ATOM 522 CD2 LEU A 358 -21.163 -24.642 2.878 1.00 17.70 C ATOM 523 H LEU A 358 -21.619 -26.432 6.446 1.00 0.00 H ATOM 524 N SER A 359 -18.917 -25.168 7.792 1.00 26.31 N ATOM 525 CA SER A 359 -17.869 -24.797 8.739 1.00 28.33 C ATOM 526 C SER A 359 -16.684 -25.745 8.620 1.00 29.17 C ATOM 527 O SER A 359 -15.530 -25.334 8.746 1.00 30.89 O ATOM 528 CB SER A 359 -18.397 -24.801 10.175 1.00 21.66 C ATOM 529 OG SER A 359 -18.569 -26.125 10.653 1.00 27.75 O ATOM 530 HG SER A 359 -19.217 -26.601 10.076 1.00 0.00 H ATOM 531 H SER A 359 -19.811 -25.562 8.148 1.00 0.00 H ATOM 532 N THR A 360 -16.983 -27.018 8.385 1.00 23.42 N ATOM 533 CA THR A 360 -15.949 -28.020 8.173 1.00 26.90 C ATOM 534 C THR A 360 -15.210 -27.745 6.869 1.00 32.66 C ATOM 535 O THR A 360 -13.986 -27.849 6.808 1.00 35.27 O ATOM 536 CB THR A 360 -16.534 -29.446 8.141 1.00 24.84 C ATOM 537 OG1 THR A 360 -17.272 -29.691 9.345 1.00 30.56 O ATOM 538 CG2 THR A 360 -15.422 -30.480 8.013 1.00 22.04 C ATOM 539 HG1 THR A 360 -18.009 -29.034 9.418 1.00 0.00 H ATOM 540 H THR A 360 -17.982 -27.306 8.352 1.00 0.00 H ATOM 541 N VAL A 361 -15.960 -27.388 5.830 1.00 26.33 N ATOM 542 CA VAL A 361 -15.376 -27.063 4.534 1.00 28.26 C ATOM 543 C VAL A 361 -14.480 -25.835 4.649 1.00 32.27 C ATOM 544 O VAL A 361 -13.406 -25.783 4.051 1.00 33.48 O ATOM 545 CB VAL A 361 -16.465 -26.823 3.467 1.00 22.37 C ATOM 546 CG1 VAL A 361 -15.855 -26.282 2.186 1.00 21.58 C ATOM 547 CG2 VAL A 361 -17.225 -28.112 3.192 1.00 22.82 C ATOM 548 H VAL A 361 -16.992 -27.339 5.945 1.00 0.00 H ATOM 549 N LYS A 362 -14.917 -24.855 5.435 1.00 31.36 N ATOM 550 CA LYS A 362 -14.112 -23.663 5.681 1.00 35.20 C ATOM 551 C LYS A 362 -12.847 -24.015 6.455 1.00 38.24 C ATOM 552 O LYS A 362 -11.773 -23.477 6.186 1.00 39.01 O ATOM 553 CB LYS A 362 -14.915 -22.608 6.445 1.00 33.66 C ATOM 554 CG LYS A 362 -14.085 -21.405 6.870 1.00 35.47 C ATOM 555 CD LYS A 362 -14.882 -20.439 7.724 1.00 45.47 C ATOM 556 CE LYS A 362 -13.967 -19.433 8.400 1.00 53.95 C ATOM 557 NZ LYS A 362 -13.164 -18.649 7.425 1.00 53.62 N ATOM 558 HZ1 LYS A 362 -12.572 -19.296 6.866 1.00 0.00 H ATOM 559 HZ2 LYS A 362 -13.803 -18.127 6.792 1.00 0.00 H ATOM 560 HZ3 LYS A 362 -12.557 -17.978 7.938 1.00 0.00 H ATOM 561 H LYS A 362 -15.852 -24.940 5.883 1.00 0.00 H ATOM 562 N ARG A 363 -12.988 -24.923 7.414 1.00 36.31 N ATOM 563 CA ARG A 363 -11.871 -25.356 8.243 1.00 35.18 C ATOM 564 C ARG A 363 -10.783 -25.996 7.388 1.00 42.41 C ATOM 565 O ARG A 363 -9.607 -25.647 7.495 1.00 46.00 O ATOM 566 CB ARG A 363 -12.357 -26.338 9.311 1.00 37.50 C ATOM 567 CG ARG A 363 -11.718 -26.157 10.677 1.00 33.42 C ATOM 568 CD ARG A 363 -10.960 -27.402 11.099 1.00 42.80 C ATOM 569 NE ARG A 363 -11.746 -28.613 10.888 1.00 45.19 N ATOM 570 CZ ARG A 363 -11.239 -29.760 10.449 1.00 52.80 C ATOM 571 NH1 ARG A 363 -9.945 -29.849 10.177 1.00 51.70 N ATOM 572 NH2 ARG A 363 -12.024 -30.815 10.281 1.00 43.30 N ATOM 573 HE ARG A 363 -12.765 -28.576 11.094 1.00 0.00 H ATOM 574 HH12 ARG A 363 -9.546 -30.746 9.833 1.00 0.00 H ATOM 575 HH11 ARG A 363 -9.328 -29.022 10.307 1.00 0.00 H ATOM 576 HH22 ARG A 363 -11.624 -31.711 9.937 1.00 0.00 H ATOM 577 HH21 ARG A 363 -13.040 -30.746 10.493 1.00 0.00 H ATOM 578 H ARG A 363 -13.927 -25.339 7.579 1.00 0.00 H ATOM 579 N LYS A 364 -11.190 -26.925 6.529 1.00 41.96 N ATOM 580 CA LYS A 364 -10.259 -27.639 5.662 1.00 38.26 C ATOM 581 C LYS A 364 -9.679 -26.721 4.592 1.00 40.25 C ATOM 582 O LYS A 364 -8.537 -26.894 4.167 1.00 44.73 O ATOM 583 CB LYS A 364 -10.955 -28.839 5.015 1.00 36.58 C ATOM 584 CG LYS A 364 -11.574 -29.790 6.026 1.00 35.67 C ATOM 585 CD LYS A 364 -12.385 -30.893 5.367 1.00 33.91 C ATOM 586 CE LYS A 364 -11.490 -31.929 4.715 1.00 38.19 C ATOM 587 NZ LYS A 364 -12.200 -33.230 4.569 1.00 36.84 N ATOM 588 HZ1 LYS A 364 -12.483 -33.576 5.508 1.00 0.00 H ATOM 589 HZ2 LYS A 364 -13.045 -33.098 3.977 1.00 0.00 H ATOM 590 HZ3 LYS A 364 -11.566 -33.921 4.120 1.00 0.00 H ATOM 591 H LYS A 364 -12.204 -27.150 6.473 1.00 0.00 H ATOM 592 N MET A 365 -10.471 -25.745 4.160 1.00 39.24 N ATOM 593 CA MET A 365 -10.014 -24.772 3.176 1.00 34.34 C ATOM 594 C MET A 365 -8.966 -23.845 3.778 1.00 43.10 C ATOM 595 O MET A 365 -7.955 -23.544 3.145 1.00 50.24 O ATOM 596 CB MET A 365 -11.189 -23.956 2.634 1.00 32.72 C ATOM 597 CG MET A 365 -10.794 -22.886 1.626 1.00 39.66 C ATOM 598 SD MET A 365 -10.091 -23.561 0.108 1.00 50.93 S ATOM 599 CE MET A 365 -11.497 -24.455 -0.546 1.00 36.52 C ATOM 600 H MET A 365 -11.439 -25.674 4.533 1.00 0.00 H ATOM 601 N ASP A 366 -9.213 -23.392 5.004 1.00 46.23 N ATOM 602 CA ASP A 366 -8.260 -22.541 5.708 1.00 45.27 C ATOM 603 C ASP A 366 -6.986 -23.309 6.045 1.00 45.15 C ATOM 604 O ASP A 366 -5.890 -22.749 6.037 1.00 49.02 O ATOM 605 CB ASP A 366 -8.882 -21.971 6.986 1.00 47.66 C ATOM 606 CG ASP A 366 -9.986 -20.969 6.704 1.00 43.57 C ATOM 607 OD1 ASP A 366 -10.012 -20.405 5.590 1.00 40.83 O ATOM 608 OD2 ASP A 366 -10.824 -20.742 7.602 1.00 43.26 O ATOM 609 H ASP A 366 -10.106 -23.650 5.471 1.00 0.00 H ATOM 610 N GLY A 367 -7.139 -24.598 6.335 1.00 45.89 N ATOM 611 CA GLY A 367 -6.013 -25.443 6.687 1.00 46.29 C ATOM 612 C GLY A 367 -5.347 -26.074 5.479 1.00 46.61 C ATOM 613 O GLY A 367 -4.448 -26.903 5.622 1.00 42.66 O ATOM 614 H GLY A 367 -8.093 -25.012 6.309 1.00 0.00 H ATOM 615 N ARG A 368 -5.798 -25.677 4.290 1.00 46.52 N ATOM 616 CA ARG A 368 -5.243 -26.148 3.020 1.00 44.60 C ATOM 617 C ARG A 368 -5.253 -27.673 2.910 1.00 43.69 C ATOM 618 O ARG A 368 -4.238 -28.283 2.577 1.00 47.74 O ATOM 619 CB ARG A 368 -3.813 -25.627 2.826 1.00 39.92 C ATOM 620 CG ARG A 368 -3.602 -24.155 3.175 1.00 42.74 C ATOM 621 CD ARG A 368 -4.577 -23.238 2.446 1.00 49.39 C ATOM 622 NE ARG A 368 -4.059 -21.877 2.334 1.00 56.99 N ATOM 623 CZ ARG A 368 -4.814 -20.783 2.315 1.00 53.09 C ATOM 624 NH1 ARG A 368 -6.134 -20.880 2.410 1.00 47.12 N ATOM 625 NH2 ARG A 368 -4.247 -19.589 2.204 1.00 60.65 N ATOM 626 HE ARG A 368 -3.028 -21.755 2.264 1.00 0.00 H ATOM 627 HH12 ARG A 368 -6.721 -20.022 2.395 1.00 0.00 H ATOM 628 HH11 ARG A 368 -6.582 -21.814 2.500 1.00 0.00 H ATOM 629 HH22 ARG A 368 -4.837 -18.733 2.189 1.00 0.00 H ATOM 630 HH21 ARG A 368 -3.213 -19.509 2.132 1.00 0.00 H ATOM 631 H ARG A 368 -6.585 -24.998 4.263 1.00 0.00 H ATOM 632 N GLU A 369 -6.402 -28.285 3.185 1.00 43.11 N ATOM 633 CA GLU A 369 -6.510 -29.742 3.168 1.00 37.42 C ATOM 634 C GLU A 369 -7.045 -30.272 1.844 1.00 34.64 C ATOM 635 O GLU A 369 -7.220 -31.478 1.676 1.00 37.50 O ATOM 636 CB GLU A 369 -7.405 -30.227 4.311 1.00 42.31 C ATOM 637 CG GLU A 369 -6.870 -29.915 5.693 1.00 44.43 C ATOM 638 CD GLU A 369 -7.621 -30.650 6.783 1.00 54.95 C ATOM 639 OE1 GLU A 369 -8.055 -31.796 6.537 1.00 50.90 O ATOM 640 OE2 GLU A 369 -7.778 -30.080 7.884 1.00 52.40 O ATOM 641 H GLU A 369 -7.240 -27.715 3.417 1.00 0.00 H ATOM 642 N TYR A 370 -7.301 -29.368 0.906 1.00 31.17 N ATOM 643 CA TYR A 370 -7.850 -29.751 -0.389 1.00 35.56 C ATOM 644 C TYR A 370 -6.773 -29.785 -1.470 1.00 39.82 C ATOM 645 O TYR A 370 -6.137 -28.768 -1.752 1.00 37.01 O ATOM 646 CB TYR A 370 -8.978 -28.797 -0.789 1.00 33.22 C ATOM 647 CG TYR A 370 -10.249 -28.990 0.009 1.00 35.54 C ATOM 648 CD1 TYR A 370 -10.729 -30.262 0.290 1.00 26.91 C ATOM 649 CD2 TYR A 370 -10.966 -27.901 0.486 1.00 31.26 C ATOM 650 CE1 TYR A 370 -11.891 -30.445 1.018 1.00 25.26 C ATOM 651 CE2 TYR A 370 -12.128 -28.074 1.216 1.00 33.64 C ATOM 652 CZ TYR A 370 -12.586 -29.347 1.479 1.00 32.97 C ATOM 653 OH TYR A 370 -13.742 -29.527 2.205 1.00 29.51 O ATOM 654 HH TYR A 370 -13.923 -30.496 2.300 1.00 0.00 H ATOM 655 H TYR A 370 -7.106 -28.365 1.099 1.00 0.00 H ATOM 656 N PRO A 371 -6.562 -30.965 -2.072 1.00 39.64 N ATOM 657 CA PRO A 371 -5.575 -31.150 -3.141 1.00 33.19 C ATOM 658 C PRO A 371 -5.945 -30.381 -4.404 1.00 39.15 C ATOM 659 O PRO A 371 -5.070 -29.823 -5.066 1.00 38.55 O ATOM 660 CB PRO A 371 -5.605 -32.661 -3.390 1.00 33.86 C ATOM 661 CG PRO A 371 -6.957 -33.094 -2.928 1.00 34.61 C ATOM 662 CD PRO A 371 -7.275 -32.215 -1.755 1.00 34.51 C ATOM 663 N ASP A 372 -7.234 -30.355 -4.726 1.00 38.28 N ATOM 664 CA ASP A 372 -7.716 -29.674 -5.922 1.00 39.59 C ATOM 665 C ASP A 372 -9.156 -29.202 -5.747 1.00 39.21 C ATOM 666 O ASP A 372 -9.732 -29.337 -4.669 1.00 38.96 O ATOM 667 CB ASP A 372 -7.602 -30.593 -7.142 1.00 40.52 C ATOM 668 CG ASP A 372 -8.048 -32.012 -6.849 1.00 44.04 C ATOM 669 OD1 ASP A 372 -8.897 -32.205 -5.953 1.00 38.86 O ATOM 670 OD2 ASP A 372 -7.546 -32.937 -7.520 1.00 50.20 O ATOM 671 H ASP A 372 -7.919 -30.834 -4.107 1.00 0.00 H ATOM 672 N ALA A 373 -9.728 -28.646 -6.811 1.00 36.48 N ATOM 673 CA ALA A 373 -11.101 -28.154 -6.773 1.00 32.27 C ATOM 674 C ALA A 373 -12.092 -29.309 -6.683 1.00 34.26 C ATOM 675 O ALA A 373 -13.191 -29.157 -6.146 1.00 39.18 O ATOM 676 CB ALA A 373 -11.392 -27.297 -7.998 1.00 33.24 C ATOM 677 H ALA A 373 -9.183 -28.560 -7.692 1.00 0.00 H ATOM 678 N GLN A 374 -11.694 -30.463 -7.211 1.00 34.64 N ATOM 679 CA GLN A 374 -12.533 -31.656 -7.192 1.00 34.37 C ATOM 680 C GLN A 374 -12.739 -32.166 -5.769 1.00 31.36 C ATOM 681 O GLN A 374 -13.786 -32.727 -5.445 1.00 25.90 O ATOM 682 CB GLN A 374 -11.923 -32.760 -8.062 1.00 37.70 C ATOM 683 CG GLN A 374 -11.877 -32.438 -9.549 1.00 48.93 C ATOM 684 CD GLN A 374 -10.624 -31.685 -9.952 1.00 51.10 C ATOM 685 OE1 GLN A 374 -9.521 -32.015 -9.519 1.00 52.79 O ATOM 686 NE2 GLN A 374 -10.790 -30.667 -10.787 1.00 46.70 N ATOM 687 HE22 GLN A 374 -11.742 -30.424 -11.128 1.00 0.00 H ATOM 688 HE21 GLN A 374 -9.968 -30.112 -11.101 1.00 0.00 H ATOM 689 H GLN A 374 -10.754 -30.517 -7.652 1.00 0.00 H ATOM 690 N GLY A 375 -11.731 -31.972 -4.925 1.00 32.41 N ATOM 691 CA GLY A 375 -11.823 -32.357 -3.529 1.00 25.64 C ATOM 692 C GLY A 375 -12.783 -31.456 -2.779 1.00 24.82 C ATOM 693 O GLY A 375 -13.506 -31.902 -1.888 1.00 19.49 O ATOM 694 H GLY A 375 -10.855 -31.534 -5.274 1.00 0.00 H ATOM 695 N PHE A 376 -12.785 -30.179 -3.150 1.00 27.74 N ATOM 696 CA PHE A 376 -13.687 -29.199 -2.557 1.00 29.70 C ATOM 697 C PHE A 376 -15.136 -29.503 -2.914 1.00 31.82 C ATOM 698 O PHE A 376 -16.005 -29.544 -2.043 1.00 26.47 O ATOM 699 CB PHE A 376 -13.312 -27.786 -3.016 1.00 29.95 C ATOM 700 CG PHE A 376 -14.370 -26.751 -2.743 1.00 28.23 C ATOM 701 CD1 PHE A 376 -14.501 -26.187 -1.485 1.00 28.92 C ATOM 702 CD2 PHE A 376 -15.223 -26.329 -3.751 1.00 28.37 C ATOM 703 CE1 PHE A 376 -15.468 -25.232 -1.235 1.00 30.27 C ATOM 704 CE2 PHE A 376 -16.191 -25.372 -3.506 1.00 26.03 C ATOM 705 CZ PHE A 376 -16.313 -24.824 -2.247 1.00 28.91 C ATOM 706 H PHE A 376 -12.121 -29.869 -3.888 1.00 0.00 H ATOM 707 N ALA A 377 -15.385 -29.716 -4.202 1.00 25.39 N ATOM 708 CA ALA A 377 -16.727 -29.993 -4.698 1.00 24.34 C ATOM 709 C ALA A 377 -17.284 -31.290 -4.120 1.00 22.10 C ATOM 710 O ALA A 377 -18.487 -31.408 -3.893 1.00 27.18 O ATOM 711 CB ALA A 377 -16.724 -30.052 -6.219 1.00 24.60 C ATOM 712 H ALA A 377 -14.596 -29.684 -4.879 1.00 0.00 H ATOM 713 N ALA A 378 -16.402 -32.258 -3.887 1.00 20.73 N ATOM 714 CA ALA A 378 -16.805 -33.553 -3.353 1.00 19.05 C ATOM 715 C ALA A 378 -17.409 -33.416 -1.960 1.00 20.68 C ATOM 716 O ALA A 378 -18.412 -34.056 -1.648 1.00 23.43 O ATOM 717 CB ALA A 378 -15.619 -34.508 -3.325 1.00 15.55 C ATOM 718 H ALA A 378 -15.397 -32.086 -4.092 1.00 0.00 H ATOM 719 N ASP A 379 -16.792 -32.585 -1.125 1.00 21.08 N ATOM 720 CA ASP A 379 -17.283 -32.352 0.230 1.00 21.81 C ATOM 721 C ASP A 379 -18.594 -31.577 0.224 1.00 20.14 C ATOM 722 O ASP A 379 -19.527 -31.918 0.949 1.00 20.37 O ATOM 723 CB ASP A 379 -16.239 -31.602 1.062 1.00 24.68 C ATOM 724 CG ASP A 379 -15.256 -32.534 1.743 1.00 29.43 C ATOM 725 OD1 ASP A 379 -15.571 -33.734 1.879 1.00 26.85 O ATOM 726 OD2 ASP A 379 -14.174 -32.061 2.148 1.00 33.38 O ATOM 727 H ASP A 379 -15.937 -32.088 -1.446 1.00 0.00 H ATOM 728 N VAL A 380 -18.655 -30.534 -0.597 1.00 19.36 N ATOM 729 CA VAL A 380 -19.854 -29.709 -0.709 1.00 19.25 C ATOM 730 C VAL A 380 -21.048 -30.543 -1.170 1.00 24.11 C ATOM 731 O VAL A 380 -22.168 -30.365 -0.687 1.00 22.84 O ATOM 732 CB VAL A 380 -19.637 -28.530 -1.684 1.00 24.77 C ATOM 733 CG1 VAL A 380 -20.920 -27.729 -1.859 1.00 20.67 C ATOM 734 CG2 VAL A 380 -18.511 -27.634 -1.188 1.00 20.87 C ATOM 735 H VAL A 380 -17.824 -30.299 -1.177 1.00 0.00 H ATOM 736 N ARG A 381 -20.800 -31.464 -2.094 1.00 21.32 N ATOM 737 CA ARG A 381 -21.851 -32.343 -2.592 1.00 22.29 C ATOM 738 C ARG A 381 -22.182 -33.440 -1.587 1.00 19.89 C ATOM 739 O ARG A 381 -23.322 -33.898 -1.513 1.00 19.89 O ATOM 740 CB ARG A 381 -21.447 -32.959 -3.931 1.00 20.78 C ATOM 741 CG ARG A 381 -21.390 -31.960 -5.071 1.00 23.18 C ATOM 742 CD ARG A 381 -21.357 -32.669 -6.411 1.00 19.83 C ATOM 743 NE ARG A 381 -21.316 -31.733 -7.531 1.00 18.90 N ATOM 744 CZ ARG A 381 -20.224 -31.461 -8.239 1.00 21.14 C ATOM 745 NH1 ARG A 381 -19.076 -32.057 -7.949 1.00 23.32 N ATOM 746 NH2 ARG A 381 -20.283 -30.595 -9.242 1.00 24.27 N ATOM 747 HE ARG A 381 -22.198 -31.248 -7.792 1.00 0.00 H ATOM 748 HH12 ARG A 381 -18.224 -31.842 -8.505 1.00 0.00 H ATOM 749 HH11 ARG A 381 -19.028 -32.740 -7.166 1.00 0.00 H ATOM 750 HH22 ARG A 381 -19.429 -30.382 -9.796 1.00 0.00 H ATOM 751 HH21 ARG A 381 -21.183 -30.129 -9.474 1.00 0.00 H ATOM 752 H ARG A 381 -19.835 -31.560 -2.470 1.00 0.00 H ATOM 753 N LEU A 382 -21.180 -33.863 -0.820 1.00 22.54 N ATOM 754 CA LEU A 382 -21.392 -34.833 0.248 1.00 20.58 C ATOM 755 C LEU A 382 -22.363 -34.268 1.277 1.00 16.83 C ATOM 756 O LEU A 382 -23.219 -34.982 1.802 1.00 15.63 O ATOM 757 CB LEU A 382 -20.067 -35.204 0.916 1.00 17.23 C ATOM 758 CG LEU A 382 -20.157 -36.056 2.184 1.00 21.33 C ATOM 759 CD1 LEU A 382 -20.829 -37.391 1.896 1.00 17.11 C ATOM 760 CD2 LEU A 382 -18.781 -36.266 2.798 1.00 17.00 C ATOM 761 H LEU A 382 -20.222 -33.493 -0.986 1.00 0.00 H ATOM 762 N MET A 383 -22.218 -32.976 1.551 1.00 19.60 N ATOM 763 CA MET A 383 -23.100 -32.262 2.465 1.00 18.77 C ATOM 764 C MET A 383 -24.549 -32.313 1.992 1.00 19.42 C ATOM 765 O MET A 383 -25.459 -32.606 2.769 1.00 17.61 O ATOM 766 CB MET A 383 -22.642 -30.810 2.602 1.00 21.51 C ATOM 767 CG MET A 383 -23.494 -29.964 3.531 1.00 22.33 C ATOM 768 SD MET A 383 -22.985 -28.235 3.532 1.00 23.40 S ATOM 769 CE MET A 383 -23.378 -27.767 1.850 1.00 15.25 C ATOM 770 H MET A 383 -21.444 -32.453 1.095 1.00 0.00 H ATOM 771 N PHE A 384 -24.753 -32.026 0.710 1.00 20.05 N ATOM 772 CA PHE A 384 -26.082 -32.054 0.113 1.00 16.40 C ATOM 773 C PHE A 384 -26.620 -33.477 0.028 1.00 18.87 C ATOM 774 O PHE A 384 -27.809 -33.713 0.245 1.00 22.31 O ATOM 775 CB PHE A 384 -26.056 -31.420 -1.277 1.00 15.44 C ATOM 776 CG PHE A 384 -25.782 -29.944 -1.264 1.00 14.79 C ATOM 777 CD1 PHE A 384 -26.465 -29.106 -0.398 1.00 17.78 C ATOM 778 CD2 PHE A 384 -24.834 -29.394 -2.110 1.00 17.38 C ATOM 779 CE1 PHE A 384 -26.213 -27.746 -0.383 1.00 19.47 C ATOM 780 CE2 PHE A 384 -24.576 -28.036 -2.098 1.00 16.13 C ATOM 781 CZ PHE A 384 -25.267 -27.211 -1.234 1.00 19.47 C ATOM 782 H PHE A 384 -23.939 -31.774 0.115 1.00 0.00 H ATOM 783 N SER A 385 -25.738 -34.421 -0.288 1.00 18.46 N ATOM 784 CA SER A 385 -26.118 -35.825 -0.412 1.00 17.08 C ATOM 785 C SER A 385 -26.648 -36.377 0.906 1.00 19.50 C ATOM 786 O SER A 385 -27.649 -37.093 0.931 1.00 24.40 O ATOM 787 CB SER A 385 -24.928 -36.657 -0.890 1.00 17.56 C ATOM 788 OG SER A 385 -24.462 -36.195 -2.146 1.00 33.98 O ATOM 789 HG SER A 385 -24.179 -35.250 -2.064 1.00 0.00 H ATOM 790 H SER A 385 -24.747 -34.151 -0.452 1.00 0.00 H ATOM 791 N ASN A 386 -25.969 -36.036 1.998 1.00 19.40 N ATOM 792 CA ASN A 386 -26.387 -36.454 3.331 1.00 20.22 C ATOM 793 C ASN A 386 -27.768 -35.914 3.683 1.00 22.56 C ATOM 794 O ASN A 386 -28.576 -36.608 4.300 1.00 26.18 O ATOM 795 CB ASN A 386 -25.370 -36.000 4.378 1.00 19.53 C ATOM 796 CG ASN A 386 -24.025 -36.679 4.216 1.00 21.50 C ATOM 797 OD1 ASN A 386 -23.948 -37.839 3.809 1.00 27.26 O ATOM 798 ND2 ASN A 386 -22.956 -35.961 4.538 1.00 20.10 N ATOM 799 HD22 ASN A 386 -23.068 -34.984 4.878 1.00 0.00 H ATOM 800 HD21 ASN A 386 -22.006 -36.375 4.451 1.00 0.00 H ATOM 801 H ASN A 386 -25.113 -35.453 1.898 1.00 0.00 H ATOM 802 N CYS A 387 -28.031 -34.674 3.282 1.00 20.22 N ATOM 803 CA CYS A 387 -29.319 -34.036 3.537 1.00 17.27 C ATOM 804 C CYS A 387 -30.437 -34.739 2.773 1.00 22.82 C ATOM 805 O CYS A 387 -31.511 -34.991 3.320 1.00 25.35 O ATOM 806 CB CYS A 387 -29.265 -32.554 3.156 1.00 18.25 C ATOM 807 SG CYS A 387 -30.749 -31.611 3.587 1.00 19.92 S ATOM 808 H CYS A 387 -27.297 -34.143 2.771 1.00 0.00 H ATOM 809 N TYR A 388 -30.174 -35.057 1.509 1.00 17.51 N ATOM 810 CA TYR A 388 -31.140 -35.767 0.680 1.00 18.45 C ATOM 811 C TYR A 388 -31.363 -37.185 1.194 1.00 20.65 C ATOM 812 O TYR A 388 -32.473 -37.713 1.127 1.00 27.93 O ATOM 813 CB TYR A 388 -30.675 -35.817 -0.779 1.00 23.31 C ATOM 814 CG TYR A 388 -30.408 -34.469 -1.406 1.00 22.56 C ATOM 815 CD1 TYR A 388 -31.154 -33.353 -1.052 1.00 15.81 C ATOM 816 CD2 TYR A 388 -29.406 -34.312 -2.356 1.00 15.68 C ATOM 817 CE1 TYR A 388 -30.910 -32.120 -1.628 1.00 15.29 C ATOM 818 CE2 TYR A 388 -29.154 -33.083 -2.934 1.00 17.29 C ATOM 819 CZ TYR A 388 -29.909 -31.992 -2.567 1.00 17.11 C ATOM 820 OH TYR A 388 -29.663 -30.766 -3.141 1.00 19.03 O ATOM 821 HH TYR A 388 -28.732 -30.492 -2.946 1.00 0.00 H ATOM 822 H TYR A 388 -29.255 -34.792 1.101 1.00 0.00 H ATOM 823 N LYS A 389 -30.300 -37.796 1.706 1.00 24.30 N ATOM 824 CA LYS A 389 -30.353 -39.188 2.137 1.00 25.23 C ATOM 825 C LYS A 389 -31.113 -39.365 3.449 1.00 26.13 C ATOM 826 O LYS A 389 -31.906 -40.296 3.591 1.00 28.68 O ATOM 827 CB LYS A 389 -28.937 -39.756 2.279 1.00 19.87 C ATOM 828 CG LYS A 389 -28.891 -41.215 2.713 1.00 18.71 C ATOM 829 CD LYS A 389 -27.492 -41.797 2.566 1.00 30.40 C ATOM 830 CE LYS A 389 -27.480 -43.281 2.900 1.00 46.14 C ATOM 831 NZ LYS A 389 -26.174 -43.925 2.583 1.00 51.75 N ATOM 832 HZ1 LYS A 389 -25.976 -43.823 1.567 1.00 0.00 H ATOM 833 HZ2 LYS A 389 -25.420 -43.466 3.133 1.00 0.00 H ATOM 834 HZ3 LYS A 389 -26.218 -44.935 2.829 1.00 0.00 H ATOM 835 H LYS A 389 -29.409 -37.269 1.802 1.00 0.00 H ATOM 836 N TYR A 390 -30.872 -38.473 4.404 1.00 19.49 N ATOM 837 CA TYR A 390 -31.461 -38.615 5.730 1.00 22.51 C ATOM 838 C TYR A 390 -32.912 -38.151 5.792 1.00 19.34 C ATOM 839 O TYR A 390 -33.769 -38.844 6.338 1.00 22.52 O ATOM 840 CB TYR A 390 -30.637 -37.848 6.767 1.00 18.61 C ATOM 841 CG TYR A 390 -31.189 -37.982 8.166 1.00 22.55 C ATOM 842 CD1 TYR A 390 -31.054 -39.169 8.871 1.00 25.12 C ATOM 843 CD2 TYR A 390 -31.854 -36.928 8.779 1.00 20.12 C ATOM 844 CE1 TYR A 390 -31.559 -39.302 10.146 1.00 25.10 C ATOM 845 CE2 TYR A 390 -32.363 -37.053 10.057 1.00 24.74 C ATOM 846 CZ TYR A 390 -32.212 -38.243 10.735 1.00 30.99 C ATOM 847 OH TYR A 390 -32.714 -38.380 12.008 1.00 33.50 O ATOM 848 HH TYR A 390 -32.518 -39.291 12.342 1.00 0.00 H ATOM 849 H TYR A 390 -30.254 -37.661 4.202 1.00 0.00 H ATOM 850 N ASN A 391 -33.180 -36.975 5.236 1.00 20.32 N ATOM 851 CA ASN A 391 -34.499 -36.362 5.339 1.00 24.54 C ATOM 852 C ASN A 391 -35.463 -36.824 4.250 1.00 24.23 C ATOM 853 O ASN A 391 -35.041 -37.131 3.134 1.00 30.38 O ATOM 854 CB ASN A 391 -34.370 -34.836 5.299 1.00 23.56 C ATOM 855 CG ASN A 391 -33.484 -34.298 6.405 1.00 22.59 C ATOM 856 OD1 ASN A 391 -33.922 -34.134 7.544 1.00 21.44 O ATOM 857 ND2 ASN A 391 -32.232 -34.012 6.071 1.00 17.33 N ATOM 858 HD22 ASN A 391 -31.906 -34.167 5.096 1.00 0.00 H ATOM 859 HD21 ASN A 391 -31.577 -33.633 6.784 1.00 0.00 H ATOM 860 H ASN A 391 -32.430 -36.479 4.714 1.00 0.00 H ATOM 861 N PRO A 392 -36.765 -36.878 4.578 1.00 19.52 N ATOM 862 CA PRO A 392 -37.801 -37.189 3.586 1.00 23.94 C ATOM 863 C PRO A 392 -37.817 -36.166 2.453 1.00 22.37 C ATOM 864 O PRO A 392 -37.509 -34.997 2.690 1.00 20.38 O ATOM 865 CB PRO A 392 -39.100 -37.137 4.400 1.00 20.99 C ATOM 866 CG PRO A 392 -38.763 -36.352 5.630 1.00 22.06 C ATOM 867 CD PRO A 392 -37.333 -36.679 5.922 1.00 18.08 C ATOM 868 N PRO A 393 -38.166 -36.605 1.233 1.00 25.43 N ATOM 869 CA PRO A 393 -38.139 -35.767 0.027 1.00 21.10 C ATOM 870 C PRO A 393 -38.981 -34.496 0.132 1.00 22.07 C ATOM 871 O PRO A 393 -38.712 -33.531 -0.584 1.00 22.93 O ATOM 872 CB PRO A 393 -38.707 -36.693 -1.053 1.00 21.99 C ATOM 873 CG PRO A 393 -38.408 -38.066 -0.565 1.00 25.76 C ATOM 874 CD PRO A 393 -38.555 -37.994 0.927 1.00 23.66 C ATOM 875 N ASP A 394 -39.979 -34.498 1.010 1.00 21.15 N ATOM 876 CA ASP A 394 -40.903 -33.374 1.121 1.00 25.38 C ATOM 877 C ASP A 394 -40.477 -32.366 2.183 1.00 21.27 C ATOM 878 O ASP A 394 -41.111 -31.324 2.343 1.00 22.52 O ATOM 879 CB ASP A 394 -42.312 -33.879 1.430 1.00 24.83 C ATOM 880 CG ASP A 394 -42.443 -34.407 2.843 1.00 42.24 C ATOM 881 OD1 ASP A 394 -41.936 -35.516 3.116 1.00 38.43 O ATOM 882 OD2 ASP A 394 -43.058 -33.715 3.681 1.00 46.55 O ATOM 883 H ASP A 394 -40.104 -35.321 1.633 1.00 0.00 H ATOM 884 N HIS A 395 -39.402 -32.677 2.901 1.00 23.49 N ATOM 885 CA HIS A 395 -38.929 -31.819 3.983 1.00 20.95 C ATOM 886 C HIS A 395 -38.404 -30.486 3.451 1.00 20.71 C ATOM 887 O HIS A 395 -37.797 -30.427 2.381 1.00 24.70 O ATOM 888 CB HIS A 395 -37.841 -32.532 4.790 1.00 21.20 C ATOM 889 CG HIS A 395 -37.661 -31.992 6.176 1.00 23.16 C ATOM 890 ND1 HIS A 395 -37.197 -30.719 6.427 1.00 21.59 N ATOM 891 CD2 HIS A 395 -37.877 -32.558 7.388 1.00 20.52 C ATOM 892 CE1 HIS A 395 -37.138 -30.522 7.732 1.00 21.79 C ATOM 893 NE2 HIS A 395 -37.545 -31.623 8.338 1.00 22.55 N ATOM 894 H HIS A 395 -38.885 -33.554 2.686 1.00 0.00 H ATOM 895 N GLU A 396 -38.646 -29.422 4.208 1.00 19.01 N ATOM 896 CA GLU A 396 -38.228 -28.078 3.824 1.00 19.69 C ATOM 897 C GLU A 396 -36.711 -27.944 3.754 1.00 22.27 C ATOM 898 O GLU A 396 -36.188 -27.166 2.955 1.00 21.87 O ATOM 899 CB GLU A 396 -38.807 -27.050 4.803 1.00 18.96 C ATOM 900 CG GLU A 396 -38.206 -25.648 4.726 1.00 36.82 C ATOM 901 CD GLU A 396 -38.507 -24.932 3.423 1.00 38.69 C ATOM 902 OE1 GLU A 396 -39.359 -25.416 2.646 1.00 43.80 O ATOM 903 OE2 GLU A 396 -37.886 -23.876 3.180 1.00 37.61 O ATOM 904 H GLU A 396 -39.152 -29.552 5.107 1.00 0.00 H ATOM 905 N VAL A 397 -36.006 -28.704 4.587 1.00 19.79 N ATOM 906 CA VAL A 397 -34.549 -28.658 4.609 1.00 20.86 C ATOM 907 C VAL A 397 -33.977 -29.212 3.304 1.00 17.77 C ATOM 908 O VAL A 397 -32.861 -28.873 2.911 1.00 17.33 O ATOM 909 CB VAL A 397 -33.974 -29.441 5.815 1.00 22.58 C ATOM 910 CG1 VAL A 397 -34.045 -30.943 5.573 1.00 20.52 C ATOM 911 CG2 VAL A 397 -32.544 -29.012 6.097 1.00 19.16 C ATOM 912 H VAL A 397 -36.505 -29.345 5.237 1.00 0.00 H ATOM 913 N VAL A 398 -34.752 -30.056 2.630 1.00 20.65 N ATOM 914 CA VAL A 398 -34.357 -30.585 1.331 1.00 23.34 C ATOM 915 C VAL A 398 -34.507 -29.496 0.274 1.00 20.70 C ATOM 916 O VAL A 398 -33.650 -29.335 -0.597 1.00 18.79 O ATOM 917 CB VAL A 398 -35.192 -31.819 0.939 1.00 23.82 C ATOM 918 CG1 VAL A 398 -34.989 -32.171 -0.526 1.00 18.96 C ATOM 919 CG2 VAL A 398 -34.842 -33.000 1.833 1.00 17.18 C ATOM 920 H VAL A 398 -35.663 -30.346 3.040 1.00 0.00 H ATOM 921 N ALA A 399 -35.598 -28.740 0.367 1.00 20.28 N ATOM 922 CA ALA A 399 -35.843 -27.622 -0.537 1.00 17.22 C ATOM 923 C ALA A 399 -34.768 -26.553 -0.366 1.00 19.62 C ATOM 924 O ALA A 399 -34.362 -25.906 -1.331 1.00 21.52 O ATOM 925 CB ALA A 399 -37.225 -27.035 -0.295 1.00 18.90 C ATOM 926 H ALA A 399 -36.297 -28.953 1.107 1.00 0.00 H ATOM 927 N MET A 400 -34.315 -26.376 0.872 1.00 20.92 N ATOM 928 CA MET A 400 -33.237 -25.444 1.178 1.00 19.47 C ATOM 929 C MET A 400 -31.925 -25.904 0.557 1.00 15.10 C ATOM 930 O MET A 400 -31.193 -25.109 -0.033 1.00 16.70 O ATOM 931 CB MET A 400 -33.073 -25.294 2.692 1.00 19.10 C ATOM 932 CG MET A 400 -34.183 -24.510 3.366 1.00 17.66 C ATOM 933 SD MET A 400 -34.088 -24.600 5.162 1.00 26.81 S ATOM 934 CE MET A 400 -35.120 -23.211 5.623 1.00 26.90 C ATOM 935 H MET A 400 -34.744 -26.921 1.647 1.00 0.00 H ATOM 936 N ALA A 401 -31.638 -27.194 0.698 1.00 16.70 N ATOM 937 CA ALA A 401 -30.423 -27.784 0.152 1.00 17.43 C ATOM 938 C ALA A 401 -30.371 -27.637 -1.363 1.00 20.15 C ATOM 939 O ALA A 401 -29.314 -27.370 -1.935 1.00 21.97 O ATOM 940 CB ALA A 401 -30.327 -29.253 0.542 1.00 14.80 C ATOM 941 H ALA A 401 -32.303 -27.803 1.216 1.00 0.00 H ATOM 942 N ARG A 402 -31.522 -27.809 -2.003 1.00 18.67 N ATOM 943 CA ARG A 402 -31.615 -27.745 -3.456 1.00 21.08 C ATOM 944 C ARG A 402 -31.363 -26.340 -3.987 1.00 16.20 C ATOM 945 O ARG A 402 -30.712 -26.171 -5.016 1.00 23.88 O ATOM 946 CB ARG A 402 -32.984 -28.247 -3.922 1.00 22.90 C ATOM 947 CG ARG A 402 -33.011 -29.731 -4.247 1.00 25.37 C ATOM 948 CD ARG A 402 -34.427 -30.252 -4.421 1.00 29.79 C ATOM 949 NE ARG A 402 -34.435 -31.654 -4.833 1.00 37.08 N ATOM 950 CZ ARG A 402 -35.497 -32.450 -4.766 1.00 37.70 C ATOM 951 NH1 ARG A 402 -36.646 -31.987 -4.293 1.00 38.07 N ATOM 952 NH2 ARG A 402 -35.408 -33.712 -5.166 1.00 40.05 N ATOM 953 HE ARG A 402 -33.550 -32.056 -5.204 1.00 0.00 H ATOM 954 HH12 ARG A 402 -37.476 -32.611 -4.241 1.00 0.00 H ATOM 955 HH11 ARG A 402 -36.717 -31.000 -3.974 1.00 0.00 H ATOM 956 HH22 ARG A 402 -36.240 -34.334 -5.113 1.00 0.00 H ATOM 957 HH21 ARG A 402 -34.507 -34.079 -5.532 1.00 0.00 H ATOM 958 H ARG A 402 -32.383 -27.995 -1.450 1.00 0.00 H ATOM 959 N LYS A 403 -31.874 -25.334 -3.285 1.00 16.11 N ATOM 960 CA LYS A 403 -31.678 -23.955 -3.713 1.00 22.59 C ATOM 961 C LYS A 403 -30.237 -23.519 -3.479 1.00 22.46 C ATOM 962 O LYS A 403 -29.675 -22.764 -4.271 1.00 25.43 O ATOM 963 CB LYS A 403 -32.645 -23.012 -2.991 1.00 19.49 C ATOM 964 CG LYS A 403 -32.626 -21.591 -3.539 1.00 25.55 C ATOM 965 CD LYS A 403 -33.861 -20.806 -3.129 1.00 41.12 C ATOM 966 CE LYS A 403 -33.962 -19.503 -3.907 1.00 46.55 C ATOM 967 NZ LYS A 403 -35.208 -18.750 -3.594 1.00 54.40 N ATOM 968 HZ1 LYS A 403 -36.034 -19.334 -3.835 1.00 0.00 H ATOM 969 HZ2 LYS A 403 -35.228 -18.521 -2.580 1.00 0.00 H ATOM 970 HZ3 LYS A 403 -35.229 -17.871 -4.149 1.00 0.00 H ATOM 971 H LYS A 403 -32.419 -25.533 -2.422 1.00 0.00 H ATOM 972 N LEU A 404 -29.636 -24.000 -2.396 1.00 17.98 N ATOM 973 CA LEU A 404 -28.242 -23.680 -2.109 1.00 19.69 C ATOM 974 C LEU A 404 -27.309 -24.404 -3.076 1.00 23.21 C ATOM 975 O LEU A 404 -26.284 -23.859 -3.485 1.00 25.04 O ATOM 976 CB LEU A 404 -27.883 -24.034 -0.664 1.00 20.72 C ATOM 977 CG LEU A 404 -26.469 -23.646 -0.223 1.00 16.45 C ATOM 978 CD1 LEU A 404 -26.241 -22.152 -0.405 1.00 20.03 C ATOM 979 CD2 LEU A 404 -26.207 -24.059 1.219 1.00 17.85 C ATOM 980 H LEU A 404 -30.166 -24.613 -1.744 1.00 0.00 H ATOM 981 N GLN A 405 -27.669 -25.631 -3.443 1.00 19.19 N ATOM 982 CA GLN A 405 -26.865 -26.405 -4.384 1.00 19.59 C ATOM 983 C GLN A 405 -26.946 -25.796 -5.781 1.00 22.37 C ATOM 984 O GLN A 405 -25.999 -25.891 -6.561 1.00 22.25 O ATOM 985 CB GLN A 405 -27.312 -27.870 -4.415 1.00 17.91 C ATOM 986 CG GLN A 405 -26.399 -28.779 -5.229 1.00 16.44 C ATOM 987 CD GLN A 405 -26.732 -30.250 -5.067 1.00 19.65 C ATOM 988 OE1 GLN A 405 -27.784 -30.607 -4.538 1.00 22.15 O ATOM 989 NE2 GLN A 405 -25.829 -31.114 -5.520 1.00 18.60 N ATOM 990 HE22 GLN A 405 -24.953 -30.767 -5.961 1.00 0.00 H ATOM 991 HE21 GLN A 405 -25.999 -32.136 -5.434 1.00 0.00 H ATOM 992 H GLN A 405 -28.539 -26.046 -3.052 1.00 0.00 H ATOM 993 N ASP A 406 -28.079 -25.171 -6.090 1.00 20.40 N ATOM 994 CA ASP A 406 -28.224 -24.435 -7.343 1.00 24.87 C ATOM 995 C ASP A 406 -27.179 -23.331 -7.423 1.00 26.17 C ATOM 996 O ASP A 406 -26.558 -23.121 -8.464 1.00 29.91 O ATOM 997 CB ASP A 406 -29.628 -23.839 -7.474 1.00 29.20 C ATOM 998 CG ASP A 406 -30.692 -24.892 -7.721 1.00 30.75 C ATOM 999 OD1 ASP A 406 -30.330 -26.037 -8.062 1.00 37.15 O ATOM 1000 OD2 ASP A 406 -31.891 -24.572 -7.577 1.00 34.29 O ATOM 1001 H ASP A 406 -28.878 -25.207 -5.425 1.00 0.00 H ATOM 1002 N VAL A 407 -26.992 -22.634 -6.306 1.00 25.76 N ATOM 1003 CA VAL A 407 -25.994 -21.578 -6.207 1.00 25.06 C ATOM 1004 C VAL A 407 -24.588 -22.142 -6.384 1.00 25.37 C ATOM 1005 O VAL A 407 -23.774 -21.577 -7.113 1.00 26.51 O ATOM 1006 CB VAL A 407 -26.080 -20.845 -4.852 1.00 26.89 C ATOM 1007 CG1 VAL A 407 -24.972 -19.811 -4.730 1.00 21.90 C ATOM 1008 CG2 VAL A 407 -27.446 -20.193 -4.686 1.00 21.04 C ATOM 1009 H VAL A 407 -27.578 -22.850 -5.475 1.00 0.00 H ATOM 1010 N PHE A 408 -24.309 -23.263 -5.724 1.00 24.54 N ATOM 1011 CA PHE A 408 -22.981 -23.870 -5.780 1.00 23.89 C ATOM 1012 C PHE A 408 -22.616 -24.353 -7.179 1.00 21.83 C ATOM 1013 O PHE A 408 -21.566 -23.993 -7.711 1.00 22.75 O ATOM 1014 CB PHE A 408 -22.880 -25.039 -4.799 1.00 18.44 C ATOM 1015 CG PHE A 408 -21.687 -25.924 -5.036 1.00 21.87 C ATOM 1016 CD1 PHE A 408 -20.415 -25.505 -4.683 1.00 23.15 C ATOM 1017 CD2 PHE A 408 -21.837 -27.176 -5.614 1.00 23.87 C ATOM 1018 CE1 PHE A 408 -19.316 -26.315 -4.902 1.00 25.60 C ATOM 1019 CE2 PHE A 408 -20.743 -27.990 -5.835 1.00 25.47 C ATOM 1020 CZ PHE A 408 -19.481 -27.559 -5.479 1.00 24.70 C ATOM 1021 H PHE A 408 -25.052 -23.717 -5.156 1.00 0.00 H ATOM 1022 N GLU A 409 -23.480 -25.177 -7.763 1.00 22.24 N ATOM 1023 CA GLU A 409 -23.215 -25.766 -9.071 1.00 20.11 C ATOM 1024 C GLU A 409 -23.065 -24.697 -10.151 1.00 22.24 C ATOM 1025 O GLU A 409 -22.275 -24.850 -11.081 1.00 24.05 O ATOM 1026 CB GLU A 409 -24.329 -26.745 -9.452 1.00 15.55 C ATOM 1027 CG GLU A 409 -24.522 -27.910 -8.485 1.00 15.59 C ATOM 1028 CD GLU A 409 -23.408 -28.940 -8.555 1.00 22.70 C ATOM 1029 OE1 GLU A 409 -22.548 -28.840 -9.456 1.00 25.70 O ATOM 1030 OE2 GLU A 409 -23.395 -29.855 -7.705 1.00 23.48 O ATOM 1031 H GLU A 409 -24.369 -25.408 -7.274 1.00 0.00 H ATOM 1032 N MET A 410 -23.821 -23.612 -10.017 1.00 22.85 N ATOM 1033 CA MET A 410 -23.769 -22.518 -10.981 1.00 24.58 C ATOM 1034 C MET A 410 -22.447 -21.762 -10.896 1.00 26.26 C ATOM 1035 O MET A 410 -21.860 -21.406 -11.917 1.00 34.30 O ATOM 1036 CB MET A 410 -24.938 -21.555 -10.762 1.00 24.21 C ATOM 1037 CG MET A 410 -24.951 -20.365 -11.709 1.00 38.87 C ATOM 1038 SD MET A 410 -24.996 -20.868 -13.440 1.00 50.14 S ATOM 1039 CE MET A 410 -26.516 -21.812 -13.482 1.00 25.73 C ATOM 1040 H MET A 410 -24.466 -23.541 -9.204 1.00 0.00 H ATOM 1041 N ARG A 411 -21.989 -21.515 -9.673 1.00 24.23 N ATOM 1042 CA ARG A 411 -20.703 -20.863 -9.451 1.00 26.29 C ATOM 1043 C ARG A 411 -19.550 -21.762 -9.892 1.00 27.38 C ATOM 1044 O ARG A 411 -18.621 -21.313 -10.562 1.00 31.17 O ATOM 1045 CB ARG A 411 -20.529 -20.493 -7.977 1.00 25.52 C ATOM 1046 CG ARG A 411 -21.498 -19.444 -7.456 1.00 29.22 C ATOM 1047 CD ARG A 411 -21.286 -18.100 -8.126 1.00 31.75 C ATOM 1048 NE ARG A 411 -22.139 -17.067 -7.546 1.00 41.64 N ATOM 1049 CZ ARG A 411 -23.410 -16.873 -7.884 1.00 54.22 C ATOM 1050 NH1 ARG A 411 -23.978 -17.649 -8.797 1.00 48.25 N ATOM 1051 NH2 ARG A 411 -24.113 -15.906 -7.308 1.00 55.89 N ATOM 1052 HE ARG A 411 -21.726 -16.444 -6.823 1.00 0.00 H ATOM 1053 HH12 ARG A 411 -24.972 -17.498 -9.062 1.00 0.00 H ATOM 1054 HH11 ARG A 411 -23.429 -18.409 -9.248 1.00 0.00 H ATOM 1055 HH22 ARG A 411 -25.107 -15.756 -7.574 1.00 0.00 H ATOM 1056 HH21 ARG A 411 -23.670 -15.298 -6.590 1.00 0.00 H ATOM 1057 H ARG A 411 -22.563 -21.794 -8.852 1.00 0.00 H ATOM 1058 N PHE A 412 -19.623 -23.034 -9.509 1.00 23.09 N ATOM 1059 CA PHE A 412 -18.544 -23.986 -9.755 1.00 20.52 C ATOM 1060 C PHE A 412 -18.336 -24.252 -11.242 1.00 25.22 C ATOM 1061 O PHE A 412 -17.208 -24.446 -11.694 1.00 29.54 O ATOM 1062 CB PHE A 412 -18.824 -25.300 -9.021 1.00 20.57 C ATOM 1063 CG PHE A 412 -17.673 -26.264 -9.040 1.00 22.48 C ATOM 1064 CD1 PHE A 412 -16.506 -25.984 -8.347 1.00 28.14 C ATOM 1065 CD2 PHE A 412 -17.761 -27.455 -9.740 1.00 19.97 C ATOM 1066 CE1 PHE A 412 -15.446 -26.871 -8.358 1.00 31.14 C ATOM 1067 CE2 PHE A 412 -16.705 -28.346 -9.754 1.00 23.98 C ATOM 1068 CZ PHE A 412 -15.547 -28.054 -9.063 1.00 28.85 C ATOM 1069 H PHE A 412 -20.479 -23.362 -9.017 1.00 0.00 H ATOM 1070 N ALA A 413 -19.429 -24.255 -11.996 1.00 23.77 N ATOM 1071 CA ALA A 413 -19.367 -24.519 -13.428 1.00 25.70 C ATOM 1072 C ALA A 413 -18.702 -23.369 -14.178 1.00 30.03 C ATOM 1073 O ALA A 413 -18.022 -23.583 -15.183 1.00 35.57 O ATOM 1074 CB ALA A 413 -20.761 -24.773 -13.980 1.00 18.99 C ATOM 1075 H ALA A 413 -20.351 -24.064 -11.554 1.00 0.00 H ATOM 1076 N LYS A 414 -18.896 -22.150 -13.685 1.00 31.54 N ATOM 1077 CA LYS A 414 -18.338 -20.969 -14.335 1.00 27.82 C ATOM 1078 C LYS A 414 -16.955 -20.615 -13.796 1.00 27.43 C ATOM 1079 O LYS A 414 -16.508 -19.475 -13.915 1.00 30.74 O ATOM 1080 CB LYS A 414 -19.279 -19.774 -14.175 1.00 28.65 C ATOM 1081 CG LYS A 414 -20.608 -19.934 -14.896 1.00 32.36 C ATOM 1082 CD LYS A 414 -21.447 -18.673 -14.791 1.00 34.48 C ATOM 1083 CE LYS A 414 -22.781 -18.840 -15.497 1.00 27.51 C ATOM 1084 NZ LYS A 414 -22.608 -19.145 -16.945 1.00 34.48 N ATOM 1085 HZ1 LYS A 414 -22.091 -18.367 -17.403 1.00 0.00 H ATOM 1086 HZ2 LYS A 414 -22.070 -20.029 -17.050 1.00 0.00 H ATOM 1087 HZ3 LYS A 414 -23.542 -19.251 -17.390 1.00 0.00 H ATOM 1088 H LYS A 414 -19.458 -22.036 -12.817 1.00 0.00 H ATOM 1089 N MET A 415 -16.281 -21.597 -13.207 1.00 28.02 N ATOM 1090 CA MET A 415 -14.921 -21.407 -12.717 1.00 29.11 C ATOM 1091 C MET A 415 -13.941 -21.312 -13.881 1.00 38.62 C ATOM 1092 O MET A 415 -13.853 -22.229 -14.696 1.00 40.34 O ATOM 1093 CB MET A 415 -14.522 -22.551 -11.782 1.00 32.42 C ATOM 1094 CG MET A 415 -13.095 -22.462 -11.265 1.00 38.95 C ATOM 1095 SD MET A 415 -12.638 -23.857 -10.216 1.00 41.51 S ATOM 1096 CE MET A 415 -12.799 -25.218 -11.370 1.00 41.37 C ATOM 1097 H MET A 415 -16.735 -22.525 -13.093 1.00 0.00 H ATOM 1098 N PRO A 416 -13.204 -20.194 -13.964 1.00 46.78 N ATOM 1099 CA PRO A 416 -12.215 -19.985 -15.027 1.00 46.51 C ATOM 1100 C PRO A 416 -11.068 -20.988 -14.955 1.00 51.89 C ATOM 1101 O PRO A 416 -10.563 -21.291 -13.874 1.00 51.90 O ATOM 1102 CB PRO A 416 -11.706 -18.561 -14.764 1.00 43.45 C ATOM 1103 CG PRO A 416 -12.762 -17.921 -13.925 1.00 48.61 C ATOM 1104 CD PRO A 416 -13.321 -19.021 -13.083 1.00 41.72 C ATOM 1105 OXT PRO A 416 -10.618 -21.517 -15.971 1.00 54.42 O TER 1106 PRO A 416 HETATM 1107 O HOH 1 -25.778 -17.905 4.087 1.00 21.29 O HETATM 1108 O HOH 2 -0.752 -28.082 2.471 1.00 39.39 O HETATM 1109 O HOH 3 -15.129 -12.464 -3.057 1.00 28.68 O HETATM 1110 O HOH 4 -28.780 -27.372 -9.372 1.00 29.63 O HETATM 1111 O HOH 5 -25.734 -28.836 8.890 1.00 22.12 O HETATM 1112 O HOH 6 -22.557 -18.385 -19.270 1.00 32.33 O HETATM 1113 O HOH 7 -24.123 -47.109 12.686 1.00 47.31 O HETATM 1114 O HOH 8 -26.009 -32.516 5.373 1.00 23.31 O HETATM 1115 O HOH 9 -35.780 -25.451 -3.558 1.00 25.33 O HETATM 1116 O HOH 10 -38.780 -30.762 -0.116 1.00 19.57 O HETATM 1117 O HOH 11 -24.704 -30.275 6.592 1.00 27.80 O HETATM 1118 O HOH 12 -7.515 -15.230 -8.949 1.00 43.97 O HETATM 1119 O HOH 13 -22.557 -40.013 4.758 1.00 25.54 O HETATM 1120 O HOH 14 -23.799 -33.965 7.463 1.00 18.26 O HETATM 1121 O HOH 15 -19.112 -36.580 -2.564 1.00 25.83 O HETATM 1122 O HOH 16 -25.688 -29.915 21.704 1.00 34.99 O HETATM 1123 O HOH 17 -21.269 -27.449 -11.516 1.00 22.70 O HETATM 1124 O HOH 18 -37.257 -29.748 -2.731 1.00 22.78 O HETATM 1125 O HOH 19 -20.267 -32.266 9.746 1.00 25.57 O HETATM 1126 O HOH 20 -19.513 -14.822 4.215 1.00 34.00 O HETATM 1127 O HOH 21 -22.572 -37.246 -3.958 1.00 30.13 O HETATM 1128 O HOH 22 -16.693 -36.332 6.539 1.00 31.32 O HETATM 1129 O HOH 23 -23.308 -30.567 -11.564 1.00 19.01 O HETATM 1130 O HOH 24 -35.941 -35.430 9.044 1.00 29.40 O HETATM 1131 O HOH 25 -13.110 -34.305 -0.414 1.00 30.08 O HETATM 1132 O HOH 26 -10.190 -33.263 7.735 1.00 40.56 O HETATM 1133 O HOH 27 -12.963 -24.947 -14.779 1.00 39.88 O HETATM 1134 O HOH 28 -23.222 -32.254 9.575 1.00 26.07 O HETATM 1135 O HOH 29 -15.384 -34.007 -7.510 1.00 21.87 O HETATM 1136 O HOH 30 -33.440 -41.687 6.960 1.00 31.34 O HETATM 1137 O HOH 31 -35.518 -38.016 8.607 1.00 23.25 O HETATM 1138 O HOH 32 -24.193 -39.290 1.153 1.00 27.87 O HETATM 1139 O HOH 33 -27.965 -28.636 13.545 1.00 30.02 O HETATM 1140 O HOH 34 -31.854 -15.286 1.591 1.00 25.85 O HETATM 1141 O HOH 35 -23.287 -34.050 11.983 1.00 26.54 O HETATM 1142 O HOH 36 -24.133 -34.481 16.402 1.00 35.86 O HETATM 1143 O HOH 37 -31.551 -15.240 -2.329 1.00 36.73 O HETATM 1144 O HOH 38 -31.659 -13.566 3.808 1.00 25.49 O HETATM 1145 O HOH 39 -23.561 -42.529 4.370 1.00 33.17 O HETATM 1146 O HOH 40 -40.750 -29.790 6.676 1.00 22.07 O HETATM 1147 O HOH 41 -18.122 -34.831 -6.435 1.00 23.26 O HETATM 1148 O HOH 42 -16.391 -32.278 -10.080 1.00 37.19 O HETATM 1149 O HOH 43 -1.179 -29.970 3.810 1.00 33.93 O HETATM 1150 O HOH 44 -17.113 -37.594 -0.753 1.00 34.08 O HETATM 1151 O HOH 45 -25.910 -22.359 12.786 1.00 35.24 O HETATM 1152 O HOH 46 -37.158 -40.934 4.626 1.00 28.44 O HETATM 1153 O HOH 47 -37.716 -27.625 -3.785 1.00 29.96 O HETATM 1154 O HOH 48 -27.927 -34.003 6.623 1.00 20.31 O HETATM 1155 O HOH 49 -35.255 -26.385 16.572 1.00 43.11 O HETATM 1156 O HOH 50 -41.467 -22.334 16.714 1.00 41.70 O HETATM 1157 O HOH 51 -38.899 -28.395 10.265 1.00 26.60 O HETATM 1158 O HOH 52 -29.602 -28.597 10.394 1.00 27.95 O HETATM 1159 N ALA A 53 -40.143 -42.837 13.839 1.00 0.24 N HETATM 1160 CA ALA A 53 -38.919 -42.451 13.148 1.00 0.06 C HETATM 1161 C ALA A 53 -38.633 -40.965 13.333 1.00 0.23 C HETATM 1162 O ALA A 53 -39.513 -40.129 13.128 1.00 -0.39 O HETATM 1163 N ALA A 53 -37.393 -40.635 13.725 1.00 -0.25 N HETATM 1164 CA ALA A 53 -36.971 -39.257 14.001 1.00 0.13 C HETATM 1165 C ALA A 53 -37.014 -38.349 12.774 1.00 0.20 C HETATM 1166 O ALA A 53 -36.488 -38.704 11.718 1.00 -0.39 O HETATM 1167 N ALA A 53 -37.635 -37.184 12.925 1.00 -0.26 N HETATM 1168 CA ALA A 53 -37.665 -36.177 11.871 1.00 0.13 C HETATM 1169 C ALA A 53 -37.085 -34.870 12.399 1.00 0.20 C HETATM 1170 O ALA A 53 -37.489 -34.391 13.459 1.00 -0.39 O HETATM 1171 N ALA A 53 -36.132 -34.297 11.670 1.00 -0.26 N HETATM 1172 CA ALA A 53 -35.487 -33.081 12.121 1.00 0.13 C HETATM 1173 CB ALA A 53 -34.099 -32.728 11.536 1.00 -0.01 C HETATM 1174 CG ALA A 53 -34.127 -31.934 10.250 1.00 -0.05 C HETATM 1175 CD ALA A 53 -32.876 -31.086 10.120 1.00 -0.03 C HETATM 1176 CE ALA A 53 -31.733 -31.877 9.476 1.00 0.03 C HETATM 1177 NZ ALA A 53 -30.713 -31.052 8.890 1.00 -0.29 N HETATM 1178 CH ALA A 53 -29.898 -31.446 7.841 1.00 0.17 C HETATM 1179 OH ALA A 53 -29.996 -32.575 7.320 1.00 -0.40 O HETATM 1180 CH3 ALA A 53 -28.880 -30.444 7.350 1.00 0.03 C HETATM 1181 H28 ALA A 53 -28.961 -29.520 7.941 1.00 0.05 H HETATM 1182 H29 ALA A 53 -29.069 -30.219 6.290 1.00 0.05 H HETATM 1183 H30 ALA A 53 -27.869 -30.863 7.461 1.00 0.05 H HETATM 1184 H31 ALA A 53 -30.583 -30.134 9.264 1.00 0.18 H HETATM 1185 H32 ALA A 53 -31.268 -32.506 10.249 1.00 0.05 H HETATM 1186 H33 ALA A 53 -32.156 -32.517 8.688 1.00 0.05 H HETATM 1187 H34 ALA A 53 -33.101 -30.209 9.496 1.00 0.03 H HETATM 1188 H35 ALA A 53 -32.563 -30.754 11.121 1.00 0.03 H HETATM 1189 H36 ALA A 53 -34.184 -32.627 9.398 1.00 0.03 H HETATM 1190 H37 ALA A 53 -35.010 -31.278 10.249 1.00 0.03 H HETATM 1191 H38 ALA A 53 -33.552 -32.140 12.288 1.00 0.03 H HETATM 1192 H39 ALA A 53 -33.561 -33.668 11.344 1.00 0.03 H HETATM 1193 C ALA A 53 -36.444 -31.902 11.987 1.00 0.20 C HETATM 1194 O ALA A 53 -37.146 -31.674 10.998 1.00 -0.39 O HETATM 1195 N ALA A 53 -36.483 -31.124 13.065 1.00 -0.26 N HETATM 1196 CA ALA A 53 -37.410 -30.004 13.176 1.00 0.13 C HETATM 1197 C ALA A 53 -36.676 -28.666 13.155 1.00 0.20 C HETATM 1198 O ALA A 53 -35.970 -28.318 14.103 1.00 -0.39 O HETATM 1199 N ALA A 53 -36.851 -27.919 12.070 1.00 -0.26 N HETATM 1200 CA ALA A 53 -36.171 -26.640 11.897 1.00 0.13 C HETATM 1201 C ALA A 53 -36.820 -25.530 12.715 1.00 0.20 C HETATM 1202 O ALA A 53 -36.205 -24.491 12.956 1.00 -0.39 O HETATM 1203 N ALA A 53 -38.064 -25.754 13.131 1.00 -0.26 N HETATM 1204 CA ALA A 53 -38.836 -24.749 13.857 1.00 0.13 C HETATM 1205 C ALA A 53 -38.100 -24.251 15.097 1.00 0.20 C HETATM 1206 O ALA A 53 -37.478 -25.031 15.818 1.00 -0.39 O HETATM 1207 N ALA A 53 -38.175 -22.945 15.330 1.00 -0.26 N HETATM 1208 CA ALA A 53 -37.445 -22.306 16.419 1.00 0.16 C HETATM 1209 C ALA A 53 -37.965 -22.698 17.799 1.00 0.21 C HETATM 1210 O ALA A 53 -39.115 -23.110 17.953 1.00 -0.39 O HETATM 1211 N ALA A 53 -37.103 -22.552 18.800 1.00 -0.27 N HETATM 1212 CA ALA A 53 -37.429 -22.935 20.168 1.00 0.09 C HETATM 1213 C ALA A 53 -37.399 -21.727 21.100 1.00 0.06 C HETATM 1214 O ALA A 53 -38.446 -21.208 21.492 1.00 -0.57 O HETATM 1215 OXT ALA A 53 -36.327 -21.249 21.477 1.00 -0.57 O HETATM 1216 CB ALA A 53 -36.456 -24.005 20.660 1.00 -0.02 C HETATM 1217 CG ALA A 53 -36.302 -25.174 19.698 1.00 -0.04 C HETATM 1218 CD ALA A 53 -35.093 -26.042 20.025 1.00 -0.01 C HETATM 1219 CE ALA A 53 -35.372 -27.031 21.149 1.00 -0.04 C HETATM 1220 NZ ALA A 53 -35.406 -26.402 22.496 1.00 0.22 N HETATM 1221 H83 ALA A 53 -35.594 -27.107 23.191 1.00 0.20 H HETATM 1222 H84 ALA A 53 -36.131 -25.703 22.522 1.00 0.20 H HETATM 1223 H85 ALA A 53 -34.516 -25.970 22.688 1.00 0.20 H HETATM 1224 H81 ALA A 53 -34.583 -27.798 21.142 1.00 0.08 H HETATM 1225 H82 ALA A 53 -36.346 -27.506 20.962 1.00 0.08 H HETATM 1226 H79 ALA A 53 -34.261 -25.389 20.328 1.00 0.03 H HETATM 1227 H80 ALA A 53 -34.808 -26.604 19.123 1.00 0.03 H HETATM 1228 H77 ALA A 53 -36.187 -24.779 18.678 1.00 0.03 H HETATM 1229 H78 ALA A 53 -37.208 -25.796 19.751 1.00 0.03 H HETATM 1230 H75 ALA A 53 -36.822 -24.392 21.622 1.00 0.03 H HETATM 1231 H76 ALA A 53 -35.470 -23.540 20.803 1.00 0.03 H HETATM 1232 H74 ALA A 53 -38.446 -23.355 20.178 1.00 0.07 H HETATM 1233 H73 ALA A 53 -36.200 -22.166 18.608 1.00 0.19 H HETATM 1234 CB ALA A 53 -37.493 -20.773 16.293 1.00 0.09 C HETATM 1235 OG1 ALA A 53 -37.482 -20.188 17.601 1.00 -0.39 O HETATM 1236 H69 ALA A 53 -37.512 -19.242 17.524 1.00 0.21 H HETATM 1237 CG2 ALA A 53 -38.757 -20.339 15.573 1.00 -0.03 C HETATM 1238 H70 ALA A 53 -38.775 -19.242 15.492 1.00 0.03 H HETATM 1239 H71 ALA A 53 -39.637 -20.679 16.139 1.00 0.03 H HETATM 1240 H72 ALA A 53 -38.776 -20.781 14.566 1.00 0.03 H HETATM 1241 H68 ALA A 53 -36.615 -20.428 15.728 1.00 0.06 H HETATM 1242 H67 ALA A 53 -36.395 -22.627 16.347 1.00 0.08 H HETATM 1243 H66 ALA A 53 -38.752 -22.381 14.739 1.00 0.19 H HETATM 1244 CB ALA A 53 -40.197 -25.306 14.240 1.00 -0.02 C HETATM 1245 H63 ALA A 53 -40.767 -24.539 14.785 1.00 0.03 H HETATM 1246 H64 ALA A 53 -40.064 -26.190 14.882 1.00 0.03 H HETATM 1247 H65 ALA A 53 -40.745 -25.592 13.330 1.00 0.03 H HETATM 1248 H62 ALA A 53 -38.991 -23.891 13.187 1.00 0.08 H HETATM 1249 H61 ALA A 53 -38.485 -26.641 12.940 1.00 0.19 H HETATM 1250 CB ALA A 53 -36.153 -26.244 10.420 1.00 -0.01 C HETATM 1251 CG ALA A 53 -35.531 -27.236 9.436 1.00 -0.04 C HETATM 1252 CD1 ALA A 53 -35.610 -26.693 8.017 1.00 -0.06 C HETATM 1253 H55 ALA A 53 -35.159 -27.417 7.322 1.00 0.02 H HETATM 1254 H56 ALA A 53 -35.065 -25.740 7.958 1.00 0.02 H HETATM 1255 H57 ALA A 53 -36.663 -26.530 7.745 1.00 0.02 H HETATM 1256 CD2 ALA A 53 -34.093 -27.545 9.814 1.00 -0.06 C HETATM 1257 H58 ALA A 53 -34.060 -27.936 10.842 1.00 0.02 H HETATM 1258 H59 ALA A 53 -33.492 -26.626 9.752 1.00 0.02 H HETATM 1259 H60 ALA A 53 -33.686 -28.297 9.123 1.00 0.02 H HETATM 1260 H54 ALA A 53 -36.106 -28.172 9.480 1.00 0.03 H HETATM 1261 H52 ALA A 53 -35.593 -25.301 10.337 1.00 0.03 H HETATM 1262 H53 ALA A 53 -37.195 -26.080 10.109 1.00 0.03 H HETATM 1263 H51 ALA A 53 -35.133 -26.757 12.240 1.00 0.08 H HETATM 1264 H50 ALA A 53 -37.467 -28.243 11.351 1.00 0.19 H HETATM 1265 CB ALA A 53 -38.241 -30.128 14.456 1.00 0.00 C HETATM 1266 CG ALA A 53 -38.967 -31.455 14.614 1.00 0.04 C HETATM 1267 CD ALA A 53 -40.124 -31.615 13.647 1.00 0.17 C HETATM 1268 OE1 ALA A 53 -40.559 -30.653 13.012 1.00 -0.40 O HETATM 1269 NE2 ALA A 53 -40.631 -32.836 13.531 1.00 -0.30 N HETATM 1270 H48 ALA A 53 -41.395 -33.003 12.908 1.00 0.18 H HETATM 1271 H49 ALA A 53 -40.248 -33.589 14.066 1.00 0.18 H HETATM 1272 H46 ALA A 53 -39.356 -31.522 15.641 1.00 0.05 H HETATM 1273 H47 ALA A 53 -38.249 -32.270 14.440 1.00 0.05 H HETATM 1274 H44 ALA A 53 -38.992 -29.324 14.457 1.00 0.03 H HETATM 1275 H45 ALA A 53 -37.567 -30.001 15.316 1.00 0.03 H HETATM 1276 H43 ALA A 53 -38.092 -30.036 12.313 1.00 0.08 H HETATM 1277 H42 ALA A 53 -35.858 -31.313 13.822 1.00 0.19 H HETATM 1278 H40 ALA A 53 -35.315 -33.228 13.197 1.00 0.08 H HETATM 1279 H41 ALA A 53 -35.858 -34.710 10.801 1.00 0.19 H HETATM 1280 CB ALA A 53 -39.093 -35.961 11.365 1.00 -0.01 C HETATM 1281 CG ALA A 53 -39.232 -34.858 10.328 1.00 -0.02 C HETATM 1282 CD ALA A 53 -40.695 -34.597 10.002 1.00 0.06 C HETATM 1283 NE ALA A 53 -41.046 -35.005 8.645 1.00 -0.27 N HETATM 1284 CZ ALA A 53 -41.201 -34.163 7.627 1.00 0.29 C HETATM 1285 NH1 ALA A 53 -41.043 -32.860 7.814 1.00 -0.28 N HETATM 1286 H24 ALA A 53 -41.163 -32.208 7.026 1.00 0.26 H HETATM 1287 H25 ALA A 53 -40.800 -32.499 8.748 1.00 0.26 H HETATM 1288 NH2 ALA A 53 -41.520 -34.623 6.425 1.00 -0.28 N HETATM 1289 H26 ALA A 53 -41.643 -35.635 6.277 1.00 0.26 H HETATM 1290 H27 ALA A 53 -41.644 -33.968 5.639 1.00 0.26 H HETATM 1291 H23 ALA A 53 -41.182 -36.010 8.464 1.00 0.26 H HETATM 1292 H21 ALA A 53 -40.894 -33.520 10.109 1.00 0.07 H HETATM 1293 H22 ALA A 53 -41.320 -35.158 10.712 1.00 0.07 H HETATM 1294 H19 ALA A 53 -38.707 -35.160 9.409 1.00 0.03 H HETATM 1295 H20 ALA A 53 -38.781 -33.935 10.722 1.00 0.03 H HETATM 1296 H17 ALA A 53 -39.728 -35.706 12.226 1.00 0.03 H HETATM 1297 H18 ALA A 53 -39.445 -36.901 10.916 1.00 0.03 H HETATM 1298 H16 ALA A 53 -37.046 -36.526 11.032 1.00 0.08 H HETATM 1299 H15 ALA A 53 -38.097 -36.992 13.791 1.00 0.19 H HETATM 1300 CB ALA A 53 -35.528 -39.424 14.493 1.00 -0.01 C HETATM 1301 CG ALA A 53 -35.432 -40.841 14.940 1.00 -0.03 C HETATM 1302 CD ALA A 53 -36.320 -41.602 14.009 1.00 0.04 C HETATM 1303 H13 ALA A 53 -35.785 -41.882 13.090 1.00 0.05 H HETATM 1304 H14 ALA A 53 -36.718 -42.507 14.491 1.00 0.05 H HETATM 1305 H11 ALA A 53 -35.782 -40.944 15.978 1.00 0.03 H HETATM 1306 H12 ALA A 53 -34.395 -41.200 14.865 1.00 0.03 H HETATM 1307 H9 ALA A 53 -35.324 -38.740 15.330 1.00 0.03 H HETATM 1308 H10 ALA A 53 -34.817 -39.227 13.677 1.00 0.03 H HETATM 1309 H8 ALA A 53 -37.603 -38.818 14.787 1.00 0.08 H HETATM 1310 CB ALA A 53 -39.015 -42.794 11.672 1.00 -0.00 C HETATM 1311 H5 ALA A 53 -38.085 -42.497 11.165 1.00 0.03 H HETATM 1312 H6 ALA A 53 -39.864 -42.256 11.225 1.00 0.03 H HETATM 1313 H7 ALA A 53 -39.166 -43.877 11.556 1.00 0.03 H HETATM 1314 H4 ALA A 53 -38.084 -43.019 13.582 1.00 0.11 H HETATM 1315 H1 ALA A 53 -40.310 -43.822 13.702 1.00 0.20 H HETATM 1316 H2 ALA A 53 -40.918 -42.310 13.469 1.00 0.20 H HETATM 1317 H3 ALA A 53 -40.047 -42.646 14.824 1.00 0.20 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1159 1160 1315 1316 1317 CONECT 1160 1159 1161 1310 1314 CONECT 1161 1160 1162 1163 CONECT 1162 1161 CONECT 1163 1161 1164 1302 CONECT 1164 1163 1165 1300 1309 CONECT 1165 1164 1166 1167 CONECT 1166 1165 CONECT 1167 1165 1168 1299 CONECT 1168 1167 1169 1280 1298 CONECT 1169 1168 1170 1171 CONECT 1170 1169 CONECT 1171 1169 1172 1279 CONECT 1172 1171 1173 1193 1278 CONECT 1173 1172 1174 1191 1192 CONECT 1174 1173 1175 1189 1190 CONECT 1175 1174 1176 1187 1188 CONECT 1176 1175 1177 1185 1186 CONECT 1177 1176 1178 1184 CONECT 1178 1177 1179 1180 CONECT 1179 1178 CONECT 1180 1178 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1177 CONECT 1185 1176 CONECT 1186 1176 CONECT 1187 1175 CONECT 1188 1175 CONECT 1189 1174 CONECT 1190 1174 CONECT 1191 1173 CONECT 1192 1173 CONECT 1193 1172 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1277 CONECT 1196 1195 1197 1265 1276 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1264 CONECT 1200 1199 1201 1250 1263 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 1204 1249 CONECT 1204 1203 1205 1244 1248 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 1208 1243 CONECT 1208 1207 1209 1234 1242 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1233 CONECT 1212 1211 1213 1216 1232 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1212 1217 1230 1231 CONECT 1217 1216 1218 1228 1229 CONECT 1218 1217 1219 1226 1227 CONECT 1219 1218 1220 1224 1225 CONECT 1220 1219 1221 1222 1223 CONECT 1221 1220 CONECT 1222 1220 CONECT 1223 1220 CONECT 1224 1219 CONECT 1225 1219 CONECT 1226 1218 CONECT 1227 1218 CONECT 1228 1217 CONECT 1229 1217 CONECT 1230 1216 CONECT 1231 1216 CONECT 1232 1212 CONECT 1233 1211 CONECT 1234 1208 1235 1237 1241 CONECT 1235 1234 1236 CONECT 1236 1235 CONECT 1237 1234 1238 1239 1240 CONECT 1238 1237 CONECT 1239 1237 CONECT 1240 1237 CONECT 1241 1234 CONECT 1242 1208 CONECT 1243 1207 CONECT 1244 1204 1245 1246 1247 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1244 CONECT 1248 1204 CONECT 1249 1203 CONECT 1250 1200 1251 1261 1262 CONECT 1251 1250 1252 1256 1260 CONECT 1252 1251 1253 1254 1255 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1252 CONECT 1256 1251 1257 1258 1259 CONECT 1257 1256 CONECT 1258 1256 CONECT 1259 1256 CONECT 1260 1251 CONECT 1261 1250 CONECT 1262 1250 CONECT 1263 1200 CONECT 1264 1199 CONECT 1265 1196 1266 1274 1275 CONECT 1266 1265 1267 1272 1273 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1271 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1266 CONECT 1273 1266 CONECT 1274 1265 CONECT 1275 1265 CONECT 1276 1196 CONECT 1277 1195 CONECT 1278 1172 CONECT 1279 1171 CONECT 1280 1168 1281 1296 1297 CONECT 1281 1280 1282 1294 1295 CONECT 1282 1281 1283 1292 1293 CONECT 1283 1282 1284 1291 CONECT 1284 1283 1285 1288 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1284 1289 1290 CONECT 1289 1288 CONECT 1290 1288 CONECT 1291 1283 CONECT 1292 1282 CONECT 1293 1282 CONECT 1294 1281 CONECT 1295 1281 CONECT 1296 1280 CONECT 1297 1280 CONECT 1298 1168 CONECT 1299 1167 CONECT 1300 1164 1301 1307 1308 CONECT 1301 1300 1302 1305 1306 CONECT 1302 1163 1301 1303 1304 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1301 CONECT 1306 1301 CONECT 1307 1300 CONECT 1308 1300 CONECT 1309 1164 CONECT 1310 1160 1311 1312 1313 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1310 CONECT 1314 1160 CONECT 1315 1159 CONECT 1316 1159 CONECT 1317 1159 MASTER 0 0 0 0 0 0 0 0 1316 1 163 9 END
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Related entries of code: 5hjc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5a7c
RCSB PDB
PDBbind
113aa, >5A7C_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
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3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
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6i41
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6hlb
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PDBbind
9-mer
6eqa
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9-mer
6d78
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PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
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PDBbind
9-mer
6a9c
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PDBbind
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5b6g
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Entry Information
PDB ID
5hjc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BRD3 second bromodomain
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=45uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Mol.Cell Vol. 62: pp. 181-193
Ligand Properties
Formula
C
4
6
H
8
6
N
1
5
O
1
3
Molecular Weight
1057.270
Exact Mass
1056.650
No. of atoms
160
No. of bonds
160
Polar Surface Area
475.02
LOGP Value
-3.61 (
Computed with XLOGP3
)
-3.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCCNC(=O)C)CCC(=O)N)CC(C)C)C
InChI String
InChI=1S/C46H83N15O13/c1-24(2)23-33(41(69)54-26(4)37(65)60-36(27(5)62)43(71)58-32(45(73)74)14-7-9-19-47)59-40(68)31(17-18-35(49)64)56-38(66)29(13-8-10-20-52-28(6)63)55-39(67)30(15-11-21-53-46(50)51)57-42(70)34-16-12-22-61(34)44(72)25(3)48/h24-27,29-34,36,62H,7-23,47-48H2,1-6H3,(H2,49,64)(H,52,63)(H,54,69)(H,55,67)(H,56,66)(H,57,70)(H,58,71)(H,59,68)(H,60,65)(H,73,74)(H4,50,51,53)/p+3/t25-,26-,27+,29-,30-,31-,32-,33-,34-,36-/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):
Q15059
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
8019
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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