USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.0226 (180deg=-0.251) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -110:sc= 0.0435 USER MOD Single : A 13 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 72:sc= 0.446 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 155:sc= -1.63 (180deg=-4.23!) USER MOD Single : A 36 HIS : no HD1:sc= -3.96! C(o=-4!,f=-3.9!) USER MOD Single : A 38 SER OG : rot -49:sc= 0.317 USER MOD Single : A 44 MET CE :methyl -143:sc= -0.522 (180deg=-4.06!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 177:sc= -1.04 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.328 K(o=0.33,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= -3.41! K(o=-3.4!,f=-2.2) USER MOD Single : A 70 THR OG1 : rot -80:sc= 0.39 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.687 K(o=0.69,f=-0.64) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 124:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.962 15.794 28.895 1.00 0.00 N ATOM 34 CA LYS A 3 5.701 16.442 27.816 1.00 0.00 C ATOM 35 C LYS A 3 6.535 17.598 28.355 1.00 0.00 C ATOM 36 O LYS A 3 6.292 18.758 28.019 1.00 0.00 O ATOM 37 CB LYS A 3 4.731 16.956 26.757 1.00 0.00 C ATOM 38 CG LYS A 3 3.678 15.907 26.412 1.00 0.00 C ATOM 39 CD LYS A 3 2.801 16.366 25.251 1.00 0.00 C ATOM 40 CE LYS A 3 1.992 15.206 24.676 1.00 0.00 C ATOM 41 NZ LYS A 3 2.866 14.244 23.948 1.00 0.00 N ATOM 0 HA LYS A 3 6.371 15.709 27.367 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.241 17.860 27.118 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.283 17.230 25.858 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.168 14.968 26.152 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.056 15.711 27.286 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.125 17.151 25.591 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.425 16.800 24.470 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.471 14.689 25.482 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.230 15.592 23.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.284 13.651 23.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.561 14.768 23.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.364 13.641 24.633 1.00 0.00 H new ATOM 55 N VAL A 4 7.519 17.279 29.188 1.00 0.00 N ATOM 56 CA VAL A 4 8.389 18.296 29.768 1.00 0.00 C ATOM 57 C VAL A 4 9.429 17.658 30.672 1.00 0.00 C ATOM 58 O VAL A 4 9.295 16.508 31.090 1.00 0.00 O ATOM 59 CB VAL A 4 7.554 19.307 30.557 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.588 18.588 31.493 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.430 20.281 31.345 1.00 0.00 C ATOM 0 H VAL A 4 7.734 16.325 29.477 1.00 0.00 H new ATOM 0 HA VAL A 4 8.907 18.813 28.960 1.00 0.00 H new ATOM 0 HB VAL A 4 6.983 19.890 29.835 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.003 19.323 32.046 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.919 17.956 30.910 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.151 17.971 32.193 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.797 20.981 31.890 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.048 19.726 32.050 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.071 20.832 30.657 1.00 0.00 H new ATOM 71 N THR A 5 10.462 18.428 30.971 1.00 0.00 N ATOM 72 CA THR A 5 11.543 17.970 31.834 1.00 0.00 C ATOM 73 C THR A 5 12.015 19.107 32.730 1.00 0.00 C ATOM 74 O THR A 5 12.023 20.269 32.323 1.00 0.00 O ATOM 75 CB THR A 5 12.704 17.449 30.993 1.00 0.00 C ATOM 76 OG1 THR A 5 12.525 17.823 29.635 1.00 0.00 O ATOM 77 CG2 THR A 5 12.813 15.931 31.109 1.00 0.00 C ATOM 0 H THR A 5 10.577 19.381 30.627 1.00 0.00 H new ATOM 0 HA THR A 5 11.172 17.159 32.460 1.00 0.00 H new ATOM 0 HB THR A 5 13.628 17.890 31.366 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.275 17.487 29.101 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.647 15.579 30.502 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.981 15.657 32.150 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.889 15.472 30.757 1.00 0.00 H new ATOM 85 N PHE A 6 12.405 18.766 33.952 1.00 0.00 N ATOM 86 CA PHE A 6 12.878 19.756 34.912 1.00 0.00 C ATOM 87 C PHE A 6 14.331 19.481 35.276 1.00 0.00 C ATOM 88 O PHE A 6 14.857 18.406 34.992 1.00 0.00 O ATOM 89 CB PHE A 6 12.008 19.721 36.167 1.00 0.00 C ATOM 90 CG PHE A 6 10.669 20.391 35.975 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.748 19.862 35.084 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.358 21.536 36.691 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.520 20.476 34.909 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.129 22.150 36.515 1.00 0.00 C ATOM 95 CZ PHE A 6 8.210 21.620 35.625 1.00 0.00 C ATOM 0 H PHE A 6 12.403 17.808 34.303 1.00 0.00 H new ATOM 0 HA PHE A 6 12.811 20.746 34.461 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.850 18.684 36.464 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.539 20.210 36.984 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.989 18.970 34.526 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.074 21.949 37.386 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.804 20.063 34.214 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.887 23.043 37.072 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.252 22.099 35.489 1.00 0.00 H new ATOM 105 N THR A 7 14.976 20.458 35.906 1.00 0.00 N ATOM 106 CA THR A 7 16.372 20.318 36.309 1.00 0.00 C ATOM 107 C THR A 7 16.748 21.416 37.295 1.00 0.00 C ATOM 108 O THR A 7 16.862 22.585 36.925 1.00 0.00 O ATOM 109 CB THR A 7 17.285 20.385 35.086 1.00 0.00 C ATOM 110 OG1 THR A 7 16.567 20.014 33.920 1.00 0.00 O ATOM 111 CG2 THR A 7 18.496 19.474 35.265 1.00 0.00 C ATOM 0 H THR A 7 14.555 21.355 36.149 1.00 0.00 H new ATOM 0 HA THR A 7 16.498 19.349 36.792 1.00 0.00 H new ATOM 0 HB THR A 7 17.637 21.411 34.977 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.160 20.061 33.142 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.133 19.537 34.382 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.061 19.788 36.143 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.161 18.445 35.398 1.00 0.00 H new ATOM 119 N VAL A 8 16.939 21.032 38.551 1.00 0.00 N ATOM 120 CA VAL A 8 17.302 21.979 39.599 1.00 0.00 C ATOM 121 C VAL A 8 18.638 22.637 39.282 1.00 0.00 C ATOM 122 O VAL A 8 19.696 22.134 39.663 1.00 0.00 O ATOM 123 CB VAL A 8 17.377 21.255 40.938 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.780 22.218 42.050 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.038 20.597 41.258 1.00 0.00 C ATOM 0 H VAL A 8 16.848 20.067 38.870 1.00 0.00 H new ATOM 0 HA VAL A 8 16.540 22.757 39.653 1.00 0.00 H new ATOM 0 HB VAL A 8 18.139 20.479 40.869 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.828 21.681 42.997 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.758 22.645 41.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.043 23.018 42.123 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.105 20.083 42.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.261 21.359 41.308 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.790 19.878 40.477 1.00 0.00 H new ATOM 135 N GLU A 9 18.584 23.765 38.582 1.00 0.00 N ATOM 136 CA GLU A 9 19.789 24.497 38.209 1.00 0.00 C ATOM 137 C GLU A 9 20.622 24.817 39.444 1.00 0.00 C ATOM 138 O GLU A 9 20.219 24.525 40.570 1.00 0.00 O ATOM 139 CB GLU A 9 19.412 25.788 37.488 1.00 0.00 C ATOM 140 CG GLU A 9 18.805 25.500 36.117 1.00 0.00 C ATOM 141 CD GLU A 9 19.865 24.941 35.177 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.607 25.744 34.573 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.951 23.702 35.046 1.00 0.00 O ATOM 0 H GLU A 9 17.716 24.193 38.261 1.00 0.00 H new ATOM 0 HA GLU A 9 20.382 23.873 37.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.700 26.350 38.092 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.297 26.414 37.372 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.986 24.788 36.217 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.384 26.414 35.699 1.00 0.00 H new ATOM 150 N LYS A 10 21.787 25.420 39.225 1.00 0.00 N ATOM 151 CA LYS A 10 22.683 25.784 40.319 1.00 0.00 C ATOM 152 C LYS A 10 22.150 26.993 41.085 1.00 0.00 C ATOM 153 O LYS A 10 22.632 27.302 42.176 1.00 0.00 O ATOM 154 CB LYS A 10 24.074 26.092 39.772 1.00 0.00 C ATOM 155 CG LYS A 10 25.047 24.954 40.066 1.00 0.00 C ATOM 156 CD LYS A 10 26.490 25.379 39.812 1.00 0.00 C ATOM 157 CE LYS A 10 27.363 24.182 39.447 1.00 0.00 C ATOM 158 NZ LYS A 10 28.583 24.607 38.704 1.00 0.00 N ATOM 0 H LYS A 10 22.133 25.667 38.298 1.00 0.00 H new ATOM 0 HA LYS A 10 22.741 24.940 41.006 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.016 26.256 38.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.446 27.016 40.216 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.936 24.637 41.103 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.804 24.094 39.442 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.519 26.113 39.006 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.890 25.866 40.701 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.653 23.651 40.354 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.789 23.483 38.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 29.156 23.771 38.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.304 25.092 37.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 29.142 25.255 39.295 1.00 0.00 H new ATOM 172 N GLY A 11 21.157 27.680 40.517 1.00 0.00 N ATOM 173 CA GLY A 11 20.570 28.855 41.158 1.00 0.00 C ATOM 174 C GLY A 11 20.274 28.585 42.628 1.00 0.00 C ATOM 175 O GLY A 11 20.284 29.500 43.451 1.00 0.00 O ATOM 0 H GLY A 11 20.744 27.442 39.615 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.252 29.700 41.070 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.650 29.133 40.643 1.00 0.00 H new ATOM 179 N SER A 12 20.015 27.323 42.953 1.00 0.00 N ATOM 180 CA SER A 12 19.721 26.933 44.328 1.00 0.00 C ATOM 181 C SER A 12 20.819 27.429 45.260 1.00 0.00 C ATOM 182 O SER A 12 21.990 27.090 45.089 1.00 0.00 O ATOM 183 CB SER A 12 19.602 25.415 44.428 1.00 0.00 C ATOM 184 OG SER A 12 18.961 24.888 43.277 1.00 0.00 O ATOM 0 H SER A 12 20.003 26.553 42.284 1.00 0.00 H new ATOM 0 HA SER A 12 18.774 27.384 44.625 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.593 24.973 44.534 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.037 25.147 45.321 1.00 0.00 H new ATOM 0 HG SER A 12 18.070 24.559 43.520 1.00 0.00 H new ATOM 190 N ASN A 13 20.436 28.233 46.244 1.00 0.00 N ATOM 191 CA ASN A 13 21.394 28.779 47.205 1.00 0.00 C ATOM 192 C ASN A 13 21.179 28.160 48.580 1.00 0.00 C ATOM 193 O ASN A 13 21.989 27.355 49.040 1.00 0.00 O ATOM 194 CB ASN A 13 21.278 30.307 47.294 1.00 0.00 C ATOM 195 CG ASN A 13 19.859 30.781 46.987 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.029 30.918 47.887 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.583 31.030 45.711 1.00 0.00 N ATOM 0 H ASN A 13 19.471 28.523 46.400 1.00 0.00 H new ATOM 0 HA ASN A 13 22.396 28.531 46.856 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.565 30.637 48.293 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.976 30.767 46.594 1.00 0.00 H new ATOM 0 HD21 ASN A 13 18.652 31.349 45.443 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.302 30.902 44.999 1.00 0.00 H new ATOM 204 N GLU A 14 20.087 28.537 49.236 1.00 0.00 N ATOM 205 CA GLU A 14 19.776 28.013 50.562 1.00 0.00 C ATOM 206 C GLU A 14 18.289 27.703 50.679 1.00 0.00 C ATOM 207 O GLU A 14 17.902 26.568 50.958 1.00 0.00 O ATOM 208 CB GLU A 14 20.183 29.024 51.630 1.00 0.00 C ATOM 209 CG GLU A 14 21.586 29.567 51.370 1.00 0.00 C ATOM 210 CD GLU A 14 22.054 30.410 52.549 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.589 31.562 52.678 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.885 29.918 53.341 1.00 0.00 O ATOM 0 H GLU A 14 19.404 29.202 48.873 1.00 0.00 H new ATOM 0 HA GLU A 14 20.336 27.090 50.711 1.00 0.00 H new ATOM 0 HB2 GLU A 14 19.469 29.847 51.646 1.00 0.00 H new ATOM 0 HB3 GLU A 14 20.149 28.553 52.612 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.278 28.741 51.207 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.588 30.168 50.461 1.00 0.00 H new ATOM 219 N LYS A 15 17.458 28.718 50.467 1.00 0.00 N ATOM 220 CA LYS A 15 16.010 28.555 50.553 1.00 0.00 C ATOM 221 C LYS A 15 15.391 28.534 49.162 1.00 0.00 C ATOM 222 O LYS A 15 14.350 27.913 48.944 1.00 0.00 O ATOM 223 CB LYS A 15 15.410 29.695 51.368 1.00 0.00 C ATOM 224 CG LYS A 15 15.917 31.047 50.877 1.00 0.00 C ATOM 225 CD LYS A 15 15.150 32.195 51.525 1.00 0.00 C ATOM 226 CE LYS A 15 14.820 33.282 50.507 1.00 0.00 C ATOM 227 NZ LYS A 15 14.410 34.547 51.181 1.00 0.00 N ATOM 0 H LYS A 15 17.762 29.663 50.234 1.00 0.00 H new ATOM 0 HA LYS A 15 15.795 27.606 51.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.323 29.663 51.298 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.665 29.568 52.420 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.979 31.143 51.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.815 31.104 49.793 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.229 31.816 51.968 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.742 32.620 52.335 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.689 33.468 49.876 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.018 32.939 49.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.192 35.268 50.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.567 34.372 51.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.185 34.885 51.786 1.00 0.00 H new ATOM 241 N HIS A 16 16.033 29.220 48.223 1.00 0.00 N ATOM 242 CA HIS A 16 15.543 29.286 46.851 1.00 0.00 C ATOM 243 C HIS A 16 15.575 27.906 46.206 1.00 0.00 C ATOM 244 O HIS A 16 16.202 26.982 46.724 1.00 0.00 O ATOM 245 CB HIS A 16 16.395 30.259 46.043 1.00 0.00 C ATOM 246 CG HIS A 16 15.827 31.644 46.015 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.284 32.258 47.114 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.714 32.556 45.015 1.00 0.00 C ATOM 249 CE1 HIS A 16 14.862 33.466 46.819 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.109 33.684 45.538 1.00 0.00 N ATOM 0 H HIS A 16 16.895 29.739 48.387 1.00 0.00 H new ATOM 0 HA HIS A 16 14.512 29.638 46.865 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.399 30.292 46.465 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.490 29.890 45.022 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.039 32.424 43.994 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.395 34.160 47.502 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.891 34.538 45.024 1.00 0.00 H new ATOM 258 N LEU A 17 14.894 27.775 45.072 1.00 0.00 N ATOM 259 CA LEU A 17 14.842 26.508 44.350 1.00 0.00 C ATOM 260 C LEU A 17 14.775 26.756 42.848 1.00 0.00 C ATOM 261 O LEU A 17 13.693 26.789 42.262 1.00 0.00 O ATOM 262 CB LEU A 17 13.625 25.701 44.797 1.00 0.00 C ATOM 263 CG LEU A 17 13.515 24.392 44.023 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.803 23.583 44.150 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.321 23.577 44.514 1.00 0.00 C ATOM 0 H LEU A 17 14.370 28.532 44.633 1.00 0.00 H new ATOM 0 HA LEU A 17 15.747 25.943 44.573 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.697 25.490 45.864 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.720 26.291 44.649 1.00 0.00 H new ATOM 0 HG LEU A 17 13.360 24.629 42.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.705 22.652 43.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.636 24.161 43.750 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.989 23.357 45.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.259 22.646 43.950 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.445 23.352 45.573 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.405 24.150 44.370 1.00 0.00 H new ATOM 277 N ALA A 18 15.939 26.931 42.230 1.00 0.00 N ATOM 278 CA ALA A 18 16.015 27.177 40.794 1.00 0.00 C ATOM 279 C ALA A 18 15.790 25.884 40.020 1.00 0.00 C ATOM 280 O ALA A 18 16.353 24.842 40.354 1.00 0.00 O ATOM 281 CB ALA A 18 17.378 27.764 40.439 1.00 0.00 C ATOM 0 H ALA A 18 16.843 26.907 42.702 1.00 0.00 H new ATOM 0 HA ALA A 18 15.236 27.888 40.520 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.428 27.945 39.365 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.519 28.704 40.972 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.162 27.063 40.725 1.00 0.00 H new ATOM 287 N VAL A 19 14.964 25.961 38.981 1.00 0.00 N ATOM 288 CA VAL A 19 14.662 24.799 38.151 1.00 0.00 C ATOM 289 C VAL A 19 14.837 25.145 36.680 1.00 0.00 C ATOM 290 O VAL A 19 14.681 26.299 36.282 1.00 0.00 O ATOM 291 CB VAL A 19 13.231 24.333 38.403 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.048 23.911 39.858 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.242 25.434 38.036 1.00 0.00 C ATOM 0 H VAL A 19 14.491 26.818 38.693 1.00 0.00 H new ATOM 0 HA VAL A 19 15.351 23.996 38.412 1.00 0.00 H new ATOM 0 HB VAL A 19 13.036 23.467 37.771 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.021 23.583 40.015 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.730 23.092 40.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.263 24.756 40.512 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.226 25.087 38.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.440 26.318 38.643 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.353 25.686 36.981 1.00 0.00 H new ATOM 303 N LEU A 20 15.160 24.141 35.872 1.00 0.00 N ATOM 304 CA LEU A 20 15.353 24.345 34.441 1.00 0.00 C ATOM 305 C LEU A 20 14.104 23.926 33.674 1.00 0.00 C ATOM 306 O LEU A 20 13.955 22.764 33.296 1.00 0.00 O ATOM 307 CB LEU A 20 16.559 23.545 33.959 1.00 0.00 C ATOM 308 CG LEU A 20 17.318 24.293 32.868 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.511 23.472 32.387 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.391 24.625 31.702 1.00 0.00 C ATOM 0 H LEU A 20 15.294 23.179 36.183 1.00 0.00 H new ATOM 0 HA LEU A 20 15.535 25.404 34.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.226 23.346 34.798 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.229 22.578 33.578 1.00 0.00 H new ATOM 0 HG LEU A 20 17.691 25.228 33.287 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.041 24.021 31.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.185 23.286 33.223 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.160 22.521 31.985 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.950 25.159 30.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.988 23.703 31.283 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.572 25.251 32.055 1.00 0.00 H new ATOM 322 N VAL A 21 13.205 24.881 33.453 1.00 0.00 N ATOM 323 CA VAL A 21 11.961 24.616 32.736 1.00 0.00 C ATOM 324 C VAL A 21 12.073 25.064 31.284 1.00 0.00 C ATOM 325 O VAL A 21 11.880 26.240 30.972 1.00 0.00 O ATOM 326 CB VAL A 21 10.806 25.349 33.413 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.470 24.902 32.825 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.832 25.115 34.921 1.00 0.00 C ATOM 0 H VAL A 21 13.315 25.847 33.761 1.00 0.00 H new ATOM 0 HA VAL A 21 11.771 23.543 32.757 1.00 0.00 H new ATOM 0 HB VAL A 21 10.923 26.417 33.229 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.658 25.435 33.320 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.451 25.121 31.757 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.346 23.830 32.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.001 25.646 35.386 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.741 24.048 35.125 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.772 25.484 35.330 1.00 0.00 H new ATOM 338 N LYS A 22 12.381 24.121 30.400 1.00 0.00 N ATOM 339 CA LYS A 22 12.514 24.417 28.977 1.00 0.00 C ATOM 340 C LYS A 22 12.960 23.176 28.215 1.00 0.00 C ATOM 341 O LYS A 22 13.889 22.482 28.629 1.00 0.00 O ATOM 342 CB LYS A 22 13.520 25.545 28.769 1.00 0.00 C ATOM 343 CG LYS A 22 13.044 26.517 27.693 1.00 0.00 C ATOM 344 CD LYS A 22 14.137 26.779 26.662 1.00 0.00 C ATOM 345 CE LYS A 22 14.024 25.818 25.482 1.00 0.00 C ATOM 346 NZ LYS A 22 14.365 26.494 24.198 1.00 0.00 N ATOM 0 H LYS A 22 12.544 23.144 30.644 1.00 0.00 H new ATOM 0 HA LYS A 22 11.542 24.731 28.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.669 26.081 29.707 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.485 25.127 28.484 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.163 26.111 27.197 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.744 27.457 28.156 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.066 27.807 26.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.115 26.671 27.130 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.690 24.969 25.637 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.010 25.422 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.279 25.815 23.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.713 27.289 24.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.341 26.850 24.242 1.00 0.00 H new ATOM 360 N TYR A 23 12.291 22.900 27.100 1.00 0.00 N ATOM 361 CA TYR A 23 12.618 21.737 26.275 1.00 0.00 C ATOM 362 C TYR A 23 13.112 22.182 24.905 1.00 0.00 C ATOM 363 O TYR A 23 14.305 22.100 24.611 1.00 0.00 O ATOM 364 CB TYR A 23 11.403 20.811 26.112 1.00 0.00 C ATOM 365 CG TYR A 23 10.088 21.432 26.527 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.807 21.626 27.869 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.163 21.805 25.568 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.602 22.193 28.249 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.959 22.373 25.950 1.00 0.00 C ATOM 370 CZ TYR A 23 7.684 22.564 27.289 1.00 0.00 C ATOM 371 OH TYR A 23 6.488 23.127 27.668 1.00 0.00 O ATOM 0 H TYR A 23 11.519 23.464 26.745 1.00 0.00 H new ATOM 0 HA TYR A 23 13.408 21.182 26.781 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.333 20.503 25.069 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.567 19.908 26.701 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.527 21.335 28.619 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.380 21.653 24.521 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.382 22.344 29.295 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.237 22.666 25.202 1.00 0.00 H new ATOM 0 HH TYR A 23 6.644 24.038 27.994 1.00 0.00 H new ATOM 381 N GLU A 24 12.192 22.649 24.067 1.00 0.00 N ATOM 382 CA GLU A 24 12.543 23.102 22.725 1.00 0.00 C ATOM 383 C GLU A 24 11.329 23.708 22.029 1.00 0.00 C ATOM 384 O GLU A 24 11.363 24.860 21.595 1.00 0.00 O ATOM 385 CB GLU A 24 13.078 21.927 21.912 1.00 0.00 C ATOM 386 CG GLU A 24 13.386 22.338 20.475 1.00 0.00 C ATOM 387 CD GLU A 24 14.629 21.615 19.976 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.699 21.770 20.602 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.532 20.895 18.960 1.00 0.00 O ATOM 0 H GLU A 24 11.200 22.724 24.292 1.00 0.00 H new ATOM 0 HA GLU A 24 13.313 23.869 22.803 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.981 21.539 22.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.346 21.119 21.912 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.537 22.104 19.832 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.538 23.416 20.422 1.00 0.00 H new ATOM 396 N GLY A 25 10.260 22.925 21.922 1.00 0.00 N ATOM 397 CA GLY A 25 9.031 23.378 21.273 1.00 0.00 C ATOM 398 C GLY A 25 8.632 24.768 21.756 1.00 0.00 C ATOM 399 O GLY A 25 8.655 25.731 20.990 1.00 0.00 O ATOM 0 H GLY A 25 10.219 21.970 22.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.171 23.392 20.192 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.226 22.673 21.481 1.00 0.00 H new ATOM 403 N ASP A 26 8.264 24.867 23.029 1.00 0.00 N ATOM 404 CA ASP A 26 7.856 26.141 23.612 1.00 0.00 C ATOM 405 C ASP A 26 9.058 27.065 23.769 1.00 0.00 C ATOM 406 O ASP A 26 10.205 26.628 23.684 1.00 0.00 O ATOM 407 CB ASP A 26 7.201 25.907 24.969 1.00 0.00 C ATOM 408 CG ASP A 26 8.202 25.292 25.938 1.00 0.00 C ATOM 409 OD1 ASP A 26 9.265 24.825 25.477 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.922 25.277 27.155 1.00 0.00 O ATOM 0 H ASP A 26 8.240 24.080 23.677 1.00 0.00 H new ATOM 0 HA ASP A 26 7.137 26.614 22.944 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.829 26.850 25.369 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.341 25.247 24.857 1.00 0.00 H new ATOM 415 N THR A 27 8.785 28.345 24.002 1.00 0.00 N ATOM 416 CA THR A 27 9.842 29.337 24.176 1.00 0.00 C ATOM 417 C THR A 27 9.632 30.108 25.471 1.00 0.00 C ATOM 418 O THR A 27 9.739 31.334 25.500 1.00 0.00 O ATOM 419 CB THR A 27 9.856 30.303 22.997 1.00 0.00 C ATOM 420 OG1 THR A 27 9.976 29.583 21.780 1.00 0.00 O ATOM 421 CG2 THR A 27 11.003 31.299 23.134 1.00 0.00 C ATOM 0 H THR A 27 7.840 28.721 24.075 1.00 0.00 H new ATOM 0 HA THR A 27 10.800 28.819 24.223 1.00 0.00 H new ATOM 0 HB THR A 27 8.917 30.857 22.990 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.982 30.211 21.028 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.997 31.980 22.283 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.882 31.868 24.056 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.951 30.761 23.161 1.00 0.00 H new ATOM 429 N MET A 28 9.330 29.381 26.539 1.00 0.00 N ATOM 430 CA MET A 28 9.101 29.990 27.843 1.00 0.00 C ATOM 431 C MET A 28 7.936 30.966 27.778 1.00 0.00 C ATOM 432 O MET A 28 7.374 31.209 26.711 1.00 0.00 O ATOM 433 CB MET A 28 10.360 30.714 28.309 1.00 0.00 C ATOM 434 CG MET A 28 11.514 29.737 28.520 1.00 0.00 C ATOM 435 SD MET A 28 13.041 30.567 28.991 1.00 0.00 S ATOM 436 CE MET A 28 14.177 29.916 27.756 1.00 0.00 C ATOM 0 H MET A 28 9.238 28.365 26.528 1.00 0.00 H new ATOM 0 HA MET A 28 8.857 29.202 28.556 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.645 31.464 27.571 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.154 31.244 29.239 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.241 29.019 29.293 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.679 29.171 27.603 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.000 30.617 27.613 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.571 28.957 28.094 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.649 29.779 26.812 1.00 0.00 H new ATOM 446 N ALA A 29 7.577 31.523 28.929 1.00 0.00 N ATOM 447 CA ALA A 29 6.477 32.476 29.012 1.00 0.00 C ATOM 448 C ALA A 29 6.177 32.811 30.466 1.00 0.00 C ATOM 449 O ALA A 29 6.292 33.962 30.887 1.00 0.00 O ATOM 450 CB ALA A 29 5.231 31.902 28.348 1.00 0.00 C ATOM 0 H ALA A 29 8.034 31.330 29.820 1.00 0.00 H new ATOM 0 HA ALA A 29 6.770 33.388 28.491 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.417 32.623 28.417 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.442 31.692 27.299 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.942 30.980 28.852 1.00 0.00 H new ATOM 456 N GLU A 30 5.790 31.795 31.231 1.00 0.00 N ATOM 457 CA GLU A 30 5.469 31.972 32.643 1.00 0.00 C ATOM 458 C GLU A 30 5.527 30.635 33.371 1.00 0.00 C ATOM 459 O GLU A 30 5.475 29.575 32.748 1.00 0.00 O ATOM 460 CB GLU A 30 4.079 32.580 32.790 1.00 0.00 C ATOM 461 CG GLU A 30 3.907 33.242 34.155 1.00 0.00 C ATOM 462 CD GLU A 30 2.817 34.303 34.092 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.053 34.315 33.104 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.728 35.122 35.032 1.00 0.00 O ATOM 0 H GLU A 30 5.691 30.837 30.895 1.00 0.00 H new ATOM 0 HA GLU A 30 6.203 32.646 33.085 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.916 33.316 32.003 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.324 31.804 32.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.650 32.491 34.902 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.848 33.695 34.469 1.00 0.00 H new ATOM 471 N VAL A 31 5.632 30.693 34.695 1.00 0.00 N ATOM 472 CA VAL A 31 5.695 29.489 35.515 1.00 0.00 C ATOM 473 C VAL A 31 5.254 29.805 36.936 1.00 0.00 C ATOM 474 O VAL A 31 5.451 30.919 37.421 1.00 0.00 O ATOM 475 CB VAL A 31 7.117 28.935 35.527 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.174 27.622 36.304 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.629 28.733 34.105 1.00 0.00 C ATOM 0 H VAL A 31 5.675 31.564 35.224 1.00 0.00 H new ATOM 0 HA VAL A 31 5.026 28.740 35.091 1.00 0.00 H new ATOM 0 HB VAL A 31 7.761 29.660 36.024 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.196 27.242 36.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.853 27.793 37.331 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.514 26.892 35.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.644 28.338 34.137 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.982 28.029 33.582 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.628 29.688 33.579 1.00 0.00 H new ATOM 487 N GLU A 32 4.653 28.826 37.600 1.00 0.00 N ATOM 488 CA GLU A 32 4.184 29.010 38.962 1.00 0.00 C ATOM 489 C GLU A 32 4.264 27.701 39.735 1.00 0.00 C ATOM 490 O GLU A 32 3.902 26.641 39.225 1.00 0.00 O ATOM 491 CB GLU A 32 2.756 29.535 38.943 1.00 0.00 C ATOM 492 CG GLU A 32 1.771 28.485 38.447 1.00 0.00 C ATOM 493 CD GLU A 32 0.907 29.057 37.332 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.434 30.205 37.475 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.703 28.359 36.318 1.00 0.00 O ATOM 0 H GLU A 32 4.480 27.897 37.215 1.00 0.00 H new ATOM 0 HA GLU A 32 4.822 29.737 39.464 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.473 29.853 39.946 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.701 30.415 38.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.312 27.611 38.085 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.140 28.151 39.270 1.00 0.00 H new ATOM 502 N LEU A 33 4.750 27.783 40.969 1.00 0.00 N ATOM 503 CA LEU A 33 4.893 26.616 41.821 1.00 0.00 C ATOM 504 C LEU A 33 3.781 26.609 42.874 1.00 0.00 C ATOM 505 O LEU A 33 3.403 27.656 43.397 1.00 0.00 O ATOM 506 CB LEU A 33 6.294 26.649 42.457 1.00 0.00 C ATOM 507 CG LEU A 33 6.365 25.914 43.792 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.058 24.432 43.607 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.736 26.104 44.433 1.00 0.00 C ATOM 0 H LEU A 33 5.053 28.656 41.401 1.00 0.00 H new ATOM 0 HA LEU A 33 4.797 25.696 41.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.010 26.204 41.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.595 27.686 42.604 1.00 0.00 H new ATOM 0 HG LEU A 33 5.613 26.337 44.458 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.114 23.926 44.571 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.056 24.317 43.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.785 23.992 42.924 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.770 25.573 45.384 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.506 25.709 43.770 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.914 27.166 44.603 1.00 0.00 H new ATOM 521 N ARG A 34 3.263 25.422 43.173 1.00 0.00 N ATOM 522 CA ARG A 34 2.195 25.279 44.158 1.00 0.00 C ATOM 523 C ARG A 34 2.772 25.179 45.564 1.00 0.00 C ATOM 524 O ARG A 34 2.511 26.037 46.408 1.00 0.00 O ATOM 525 CB ARG A 34 1.364 24.036 43.850 1.00 0.00 C ATOM 526 CG ARG A 34 0.214 23.880 44.841 1.00 0.00 C ATOM 527 CD ARG A 34 -0.403 22.486 44.757 1.00 0.00 C ATOM 528 NE ARG A 34 -1.787 22.571 44.301 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.656 21.588 44.516 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.398 20.363 44.078 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.784 21.829 45.168 1.00 0.00 N ATOM 0 H ARG A 34 3.565 24.545 42.748 1.00 0.00 H new ATOM 0 HA ARG A 34 1.557 26.161 44.105 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.968 24.103 42.837 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.001 23.152 43.886 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.576 24.060 45.853 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.549 24.631 44.637 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.175 21.866 44.072 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.364 22.004 45.734 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.096 23.407 43.804 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.531 20.173 43.575 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.066 19.611 44.244 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.987 22.770 45.506 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.450 21.074 45.332 1.00 0.00 H new ATOM 545 N GLU A 35 3.540 24.110 45.808 1.00 0.00 N ATOM 546 CA GLU A 35 4.163 23.843 47.111 1.00 0.00 C ATOM 547 C GLU A 35 3.226 22.989 47.940 1.00 0.00 C ATOM 548 O GLU A 35 2.956 23.280 49.105 1.00 0.00 O ATOM 549 CB GLU A 35 4.513 25.132 47.860 1.00 0.00 C ATOM 550 CG GLU A 35 5.859 25.010 48.569 1.00 0.00 C ATOM 551 CD GLU A 35 5.961 26.039 49.687 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.109 26.013 50.600 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.893 26.869 49.648 1.00 0.00 O ATOM 0 H GLU A 35 3.748 23.402 45.104 1.00 0.00 H new ATOM 0 HA GLU A 35 5.100 23.314 46.939 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.542 25.966 47.159 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.734 25.355 48.589 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.973 24.006 48.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.669 25.157 47.855 1.00 0.00 H new ATOM 560 N HIS A 36 2.730 21.931 47.309 1.00 0.00 N ATOM 561 CA HIS A 36 1.805 20.993 47.935 1.00 0.00 C ATOM 562 C HIS A 36 0.718 21.728 48.718 1.00 0.00 C ATOM 563 O HIS A 36 -0.341 22.039 48.174 1.00 0.00 O ATOM 564 CB HIS A 36 2.551 20.008 48.843 1.00 0.00 C ATOM 565 CG HIS A 36 3.800 20.573 49.453 1.00 0.00 C ATOM 566 ND1 HIS A 36 3.916 20.883 50.783 1.00 0.00 N ATOM 567 CD2 HIS A 36 5.006 20.886 48.914 1.00 0.00 C ATOM 568 CE1 HIS A 36 5.111 21.357 51.053 1.00 0.00 C ATOM 569 NE2 HIS A 36 5.809 21.374 49.930 1.00 0.00 N ATOM 0 H HIS A 36 2.960 21.698 46.343 1.00 0.00 H new ATOM 0 HA HIS A 36 1.323 20.425 47.139 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.882 19.686 49.641 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.809 19.120 48.266 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.288 20.774 47.878 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.462 21.677 52.023 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.773 21.692 49.830 1.00 0.00 H new ATOM 577 N GLY A 37 0.978 22.002 49.994 1.00 0.00 N ATOM 578 CA GLY A 37 0.011 22.697 50.838 1.00 0.00 C ATOM 579 C GLY A 37 0.445 24.135 51.090 1.00 0.00 C ATOM 580 O GLY A 37 1.205 24.411 52.018 1.00 0.00 O ATOM 0 H GLY A 37 1.848 21.754 50.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.969 22.687 50.360 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.092 22.172 51.788 1.00 0.00 H new ATOM 584 N SER A 38 -0.043 25.050 50.258 1.00 0.00 N ATOM 585 CA SER A 38 0.293 26.464 50.392 1.00 0.00 C ATOM 586 C SER A 38 -0.932 27.334 50.133 1.00 0.00 C ATOM 587 O SER A 38 -0.805 28.493 49.741 1.00 0.00 O ATOM 588 CB SER A 38 1.403 26.829 49.412 1.00 0.00 C ATOM 589 OG SER A 38 1.978 28.081 49.753 1.00 0.00 O ATOM 0 H SER A 38 -0.672 24.838 49.484 1.00 0.00 H new ATOM 0 HA SER A 38 0.637 26.643 51.411 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.171 26.056 49.420 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.002 26.870 48.399 1.00 0.00 H new ATOM 0 HG SER A 38 1.267 28.741 49.889 1.00 0.00 H new ATOM 595 N ASP A 39 -2.117 26.764 50.354 1.00 0.00 N ATOM 596 CA ASP A 39 -3.388 27.463 50.153 1.00 0.00 C ATOM 597 C ASP A 39 -3.740 27.536 48.672 1.00 0.00 C ATOM 598 O ASP A 39 -4.822 27.117 48.262 1.00 0.00 O ATOM 599 CB ASP A 39 -3.322 28.868 50.743 1.00 0.00 C ATOM 600 CG ASP A 39 -2.773 28.821 52.163 1.00 0.00 C ATOM 601 OD1 ASP A 39 -3.177 27.921 52.929 1.00 0.00 O ATOM 602 OD2 ASP A 39 -1.939 29.684 52.508 1.00 0.00 O ATOM 0 H ASP A 39 -2.223 25.803 50.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.167 26.900 50.666 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.688 29.501 50.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.316 29.316 50.745 1.00 0.00 H new ATOM 607 N GLU A 40 -2.825 28.072 47.874 1.00 0.00 N ATOM 608 CA GLU A 40 -3.043 28.203 46.437 1.00 0.00 C ATOM 609 C GLU A 40 -1.711 28.316 45.708 1.00 0.00 C ATOM 610 O GLU A 40 -0.660 28.462 46.332 1.00 0.00 O ATOM 611 CB GLU A 40 -3.898 29.434 46.151 1.00 0.00 C ATOM 612 CG GLU A 40 -5.363 29.058 45.952 1.00 0.00 C ATOM 613 CD GLU A 40 -6.080 30.136 45.151 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.528 31.250 45.025 1.00 0.00 O ATOM 615 OE2 GLU A 40 -7.193 29.867 44.652 1.00 0.00 O ATOM 0 H GLU A 40 -1.924 28.424 48.197 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.564 27.315 46.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.811 30.140 46.977 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.526 29.939 45.260 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.433 28.102 45.433 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.848 28.931 46.920 1.00 0.00 H new ATOM 622 N TRP A 41 -1.762 28.249 44.382 1.00 0.00 N ATOM 623 CA TRP A 41 -0.560 28.343 43.561 1.00 0.00 C ATOM 624 C TRP A 41 0.090 29.711 43.726 1.00 0.00 C ATOM 625 O TRP A 41 -0.532 30.648 44.226 1.00 0.00 O ATOM 626 CB TRP A 41 -0.916 28.108 42.096 1.00 0.00 C ATOM 627 CG TRP A 41 -1.232 26.674 41.804 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.443 26.053 41.945 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.317 25.672 41.316 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.312 24.744 41.573 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.036 24.477 41.186 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.037 25.673 40.979 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.445 23.309 40.735 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.635 24.506 40.527 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.901 23.334 40.406 1.00 0.00 C ATOM 0 H TRP A 41 -2.625 28.130 43.852 1.00 0.00 H new ATOM 0 HA TRP A 41 0.148 27.580 43.885 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.773 28.727 41.830 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.085 28.428 41.468 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.353 26.520 42.293 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.069 24.060 41.584 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.617 26.579 41.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.020 22.399 40.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.683 24.509 40.266 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.383 22.434 40.053 1.00 0.00 H new ATOM 646 N VAL A 42 1.346 29.820 43.302 1.00 0.00 N ATOM 647 CA VAL A 42 2.081 31.077 43.402 1.00 0.00 C ATOM 648 C VAL A 42 3.044 31.220 42.233 1.00 0.00 C ATOM 649 O VAL A 42 3.944 30.400 42.054 1.00 0.00 O ATOM 650 CB VAL A 42 2.849 31.131 44.718 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.906 31.452 45.874 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.577 29.813 44.969 1.00 0.00 C ATOM 0 H VAL A 42 1.876 29.054 42.886 1.00 0.00 H new ATOM 0 HA VAL A 42 1.368 31.901 43.372 1.00 0.00 H new ATOM 0 HB VAL A 42 3.593 31.925 44.650 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.471 31.487 46.806 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.433 32.419 45.700 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.139 30.680 45.943 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.119 29.871 45.913 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.852 29.000 45.016 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.280 29.625 44.157 1.00 0.00 H new ATOM 662 N ALA A 43 2.847 32.264 41.438 1.00 0.00 N ATOM 663 CA ALA A 43 3.697 32.515 40.281 1.00 0.00 C ATOM 664 C ALA A 43 5.165 32.526 40.693 1.00 0.00 C ATOM 665 O ALA A 43 5.529 33.110 41.714 1.00 0.00 O ATOM 666 CB ALA A 43 3.325 33.848 39.639 1.00 0.00 C ATOM 0 H ALA A 43 2.105 32.951 41.573 1.00 0.00 H new ATOM 0 HA ALA A 43 3.544 31.716 39.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.965 34.027 38.775 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.283 33.820 39.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.460 34.651 40.364 1.00 0.00 H new ATOM 672 N MET A 44 6.004 31.878 39.891 1.00 0.00 N ATOM 673 CA MET A 44 7.434 31.810 40.166 1.00 0.00 C ATOM 674 C MET A 44 8.033 33.209 40.210 1.00 0.00 C ATOM 675 O MET A 44 7.309 34.205 40.209 1.00 0.00 O ATOM 676 CB MET A 44 8.125 30.983 39.085 1.00 0.00 C ATOM 677 CG MET A 44 8.449 29.578 39.579 1.00 0.00 C ATOM 678 SD MET A 44 10.204 29.353 39.915 1.00 0.00 S ATOM 679 CE MET A 44 10.204 27.711 40.652 1.00 0.00 C ATOM 0 H MET A 44 5.716 31.391 39.042 1.00 0.00 H new ATOM 0 HA MET A 44 7.585 31.336 41.136 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.483 30.922 38.206 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.043 31.482 38.775 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.880 29.375 40.486 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.129 28.851 38.832 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.943 27.671 41.452 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.216 27.495 41.060 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.452 26.971 39.891 1.00 0.00 H new ATOM 689 N THR A 45 9.359 33.277 40.246 1.00 0.00 N ATOM 690 CA THR A 45 10.061 34.555 40.286 1.00 0.00 C ATOM 691 C THR A 45 11.130 34.602 39.202 1.00 0.00 C ATOM 692 O THR A 45 12.187 33.984 39.333 1.00 0.00 O ATOM 693 CB THR A 45 10.699 34.758 41.657 1.00 0.00 C ATOM 694 OG1 THR A 45 9.703 34.717 42.667 1.00 0.00 O ATOM 695 CG2 THR A 45 11.447 36.087 41.715 1.00 0.00 C ATOM 0 H THR A 45 9.971 32.461 40.248 1.00 0.00 H new ATOM 0 HA THR A 45 9.343 35.355 40.107 1.00 0.00 H new ATOM 0 HB THR A 45 11.414 33.953 41.826 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.121 34.846 43.544 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.894 36.210 42.702 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.231 36.097 40.958 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.751 36.905 41.527 1.00 0.00 H new ATOM 703 N LYS A 46 10.849 35.334 38.130 1.00 0.00 N ATOM 704 CA LYS A 46 11.788 35.458 37.020 1.00 0.00 C ATOM 705 C LYS A 46 12.948 36.368 37.403 1.00 0.00 C ATOM 706 O LYS A 46 12.750 37.533 37.747 1.00 0.00 O ATOM 707 CB LYS A 46 11.074 36.012 35.791 1.00 0.00 C ATOM 708 CG LYS A 46 10.281 37.272 36.130 1.00 0.00 C ATOM 709 CD LYS A 46 10.730 38.455 35.278 1.00 0.00 C ATOM 710 CE LYS A 46 10.281 38.294 33.828 1.00 0.00 C ATOM 711 NZ LYS A 46 10.904 39.326 32.950 1.00 0.00 N ATOM 0 H LYS A 46 9.979 35.851 38.005 1.00 0.00 H new ATOM 0 HA LYS A 46 12.183 34.469 36.787 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.805 36.238 35.014 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.402 35.255 35.386 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.218 37.089 35.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.409 37.512 37.186 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.320 39.378 35.688 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.816 38.543 35.317 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.549 37.300 33.470 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.195 38.372 33.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.580 39.191 31.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.628 40.273 33.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.939 39.235 32.987 1.00 0.00 H new ATOM 725 N GLY A 47 14.160 35.826 37.342 1.00 0.00 N ATOM 726 CA GLY A 47 15.360 36.583 37.682 1.00 0.00 C ATOM 727 C GLY A 47 16.456 35.653 38.184 1.00 0.00 C ATOM 728 O GLY A 47 17.097 35.923 39.200 1.00 0.00 O ATOM 0 H GLY A 47 14.338 34.862 37.059 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.712 37.129 36.807 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.125 37.323 38.447 1.00 0.00 H new ATOM 732 N GLU A 48 16.665 34.554 37.466 1.00 0.00 N ATOM 733 CA GLU A 48 17.683 33.577 37.836 1.00 0.00 C ATOM 734 C GLU A 48 18.498 33.171 36.615 1.00 0.00 C ATOM 735 O GLU A 48 18.343 32.066 36.095 1.00 0.00 O ATOM 736 CB GLU A 48 17.022 32.346 38.448 1.00 0.00 C ATOM 737 CG GLU A 48 18.056 31.423 39.085 1.00 0.00 C ATOM 738 CD GLU A 48 18.559 32.018 40.394 1.00 0.00 C ATOM 739 OE1 GLU A 48 18.311 33.218 40.636 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.199 31.283 41.175 1.00 0.00 O ATOM 0 H GLU A 48 16.142 34.317 36.623 1.00 0.00 H new ATOM 0 HA GLU A 48 18.351 34.029 38.569 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.296 32.656 39.199 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.473 31.804 37.678 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.615 30.443 39.268 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.891 31.274 38.401 1.00 0.00 H new ATOM 747 N GLY A 49 19.365 34.071 36.161 1.00 0.00 N ATOM 748 CA GLY A 49 20.206 33.807 34.997 1.00 0.00 C ATOM 749 C GLY A 49 19.352 33.506 33.773 1.00 0.00 C ATOM 750 O GLY A 49 19.079 34.390 32.961 1.00 0.00 O ATOM 0 H GLY A 49 19.504 34.990 36.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.843 34.669 34.799 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.866 32.964 35.202 1.00 0.00 H new ATOM 754 N GLY A 50 18.931 32.252 33.647 1.00 0.00 N ATOM 755 CA GLY A 50 18.105 31.829 32.523 1.00 0.00 C ATOM 756 C GLY A 50 17.068 30.808 32.972 1.00 0.00 C ATOM 757 O GLY A 50 16.625 29.972 32.185 1.00 0.00 O ATOM 0 H GLY A 50 19.149 31.509 34.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.606 32.694 32.086 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.734 31.397 31.745 1.00 0.00 H new ATOM 761 N VAL A 51 16.684 30.881 34.243 1.00 0.00 N ATOM 762 CA VAL A 51 15.697 29.962 34.798 1.00 0.00 C ATOM 763 C VAL A 51 14.840 30.670 35.838 1.00 0.00 C ATOM 764 O VAL A 51 15.005 31.865 36.083 1.00 0.00 O ATOM 765 CB VAL A 51 16.397 28.763 35.430 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.925 27.821 34.352 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.531 29.222 36.342 1.00 0.00 C ATOM 0 H VAL A 51 17.042 31.567 34.908 1.00 0.00 H new ATOM 0 HA VAL A 51 15.052 29.614 33.991 1.00 0.00 H new ATOM 0 HB VAL A 51 15.669 28.221 36.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.421 26.972 34.822 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.095 27.464 33.742 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.637 28.353 33.721 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.018 28.352 36.783 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.258 29.789 35.761 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.128 29.853 37.134 1.00 0.00 H new ATOM 777 N TRP A 52 13.919 29.927 36.444 1.00 0.00 N ATOM 778 CA TRP A 52 13.028 30.484 37.456 1.00 0.00 C ATOM 779 C TRP A 52 13.434 30.008 38.845 1.00 0.00 C ATOM 780 O TRP A 52 14.055 28.955 38.995 1.00 0.00 O ATOM 781 CB TRP A 52 11.592 30.064 37.163 1.00 0.00 C ATOM 782 CG TRP A 52 11.269 30.105 35.702 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.685 29.115 34.964 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.525 31.194 34.792 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.560 29.545 33.672 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.061 30.802 33.531 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.096 32.460 34.925 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.152 31.630 32.424 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.192 33.293 33.820 1.00 0.00 C ATOM 790 CH2 TRP A 52 11.722 32.880 32.580 1.00 0.00 C ATOM 0 H TRP A 52 13.770 28.936 36.251 1.00 0.00 H new ATOM 0 HA TRP A 52 13.100 31.571 37.427 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.428 29.054 37.540 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.908 30.720 37.701 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.373 28.151 35.339 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.147 28.998 32.917 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.462 32.791 35.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.786 31.306 31.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.636 34.272 33.925 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.802 33.541 31.730 1.00 0.00 H new ATOM 801 N THR A 53 13.076 30.789 39.860 1.00 0.00 N ATOM 802 CA THR A 53 13.399 30.451 41.243 1.00 0.00 C ATOM 803 C THR A 53 12.236 30.813 42.160 1.00 0.00 C ATOM 804 O THR A 53 11.508 31.772 41.904 1.00 0.00 O ATOM 805 CB THR A 53 14.656 31.196 41.683 1.00 0.00 C ATOM 806 OG1 THR A 53 14.856 32.337 40.863 1.00 0.00 O ATOM 807 CG2 THR A 53 15.879 30.285 41.618 1.00 0.00 C ATOM 0 H THR A 53 12.561 31.662 39.750 1.00 0.00 H new ATOM 0 HA THR A 53 13.579 29.378 41.308 1.00 0.00 H new ATOM 0 HB THR A 53 14.521 31.516 42.716 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.636 32.837 41.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.762 30.839 41.936 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.730 29.429 42.276 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.019 29.936 40.595 1.00 0.00 H new ATOM 815 N PHE A 54 12.069 30.042 43.230 1.00 0.00 N ATOM 816 CA PHE A 54 10.996 30.286 44.190 1.00 0.00 C ATOM 817 C PHE A 54 11.566 30.418 45.595 1.00 0.00 C ATOM 818 O PHE A 54 12.556 29.773 45.935 1.00 0.00 O ATOM 819 CB PHE A 54 9.982 29.146 44.146 1.00 0.00 C ATOM 820 CG PHE A 54 8.777 29.405 45.014 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.739 30.191 44.541 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.707 28.858 46.285 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.632 30.430 45.339 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.601 29.098 47.083 1.00 0.00 C ATOM 825 CZ PHE A 54 6.563 29.884 46.610 1.00 0.00 C ATOM 0 H PHE A 54 12.662 29.243 43.455 1.00 0.00 H new ATOM 0 HA PHE A 54 10.495 31.217 43.923 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.657 28.994 43.117 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.465 28.223 44.468 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.793 30.617 43.550 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.515 28.244 46.654 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.823 31.042 44.970 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.548 28.672 48.074 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.700 30.071 47.232 1.00 0.00 H new ATOM 835 N ASP A 55 10.937 31.260 46.408 1.00 0.00 N ATOM 836 CA ASP A 55 11.385 31.481 47.779 1.00 0.00 C ATOM 837 C ASP A 55 10.715 30.496 48.729 1.00 0.00 C ATOM 838 O ASP A 55 9.615 30.745 49.221 1.00 0.00 O ATOM 839 CB ASP A 55 11.069 32.911 48.204 1.00 0.00 C ATOM 840 CG ASP A 55 9.578 33.187 48.059 1.00 0.00 C ATOM 841 OD1 ASP A 55 9.005 32.829 47.009 1.00 0.00 O ATOM 842 OD2 ASP A 55 8.985 33.762 48.996 1.00 0.00 O ATOM 0 H ASP A 55 10.115 31.801 46.141 1.00 0.00 H new ATOM 0 HA ASP A 55 12.463 31.323 47.821 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.376 33.067 49.238 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.637 33.613 47.594 1.00 0.00 H new ATOM 847 N SER A 56 11.388 29.380 48.986 1.00 0.00 N ATOM 848 CA SER A 56 10.863 28.356 49.884 1.00 0.00 C ATOM 849 C SER A 56 11.224 28.688 51.326 1.00 0.00 C ATOM 850 O SER A 56 12.317 28.370 51.792 1.00 0.00 O ATOM 851 CB SER A 56 11.434 26.991 49.507 1.00 0.00 C ATOM 852 OG SER A 56 11.436 26.825 48.098 1.00 0.00 O ATOM 0 H SER A 56 12.300 29.160 48.585 1.00 0.00 H new ATOM 0 HA SER A 56 9.777 28.327 49.789 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.449 26.896 49.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.842 26.202 49.971 1.00 0.00 H new ATOM 0 HG SER A 56 11.806 25.946 47.873 1.00 0.00 H new ATOM 858 N GLU A 57 10.300 29.336 52.027 1.00 0.00 N ATOM 859 CA GLU A 57 10.524 29.720 53.416 1.00 0.00 C ATOM 860 C GLU A 57 10.000 28.648 54.363 1.00 0.00 C ATOM 861 O GLU A 57 10.574 28.417 55.427 1.00 0.00 O ATOM 862 CB GLU A 57 9.832 31.049 53.705 1.00 0.00 C ATOM 863 CG GLU A 57 10.831 32.203 53.707 1.00 0.00 C ATOM 864 CD GLU A 57 10.902 32.835 55.090 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.835 33.026 55.712 1.00 0.00 O ATOM 866 OE2 GLU A 57 12.022 33.138 55.551 1.00 0.00 O ATOM 0 H GLU A 57 9.389 29.606 51.656 1.00 0.00 H new ATOM 0 HA GLU A 57 11.597 29.828 53.575 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.063 31.232 52.955 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.330 30.998 54.671 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.816 31.841 53.414 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.535 32.951 52.972 1.00 0.00 H new ATOM 873 N GLU A 58 8.905 28.000 53.978 1.00 0.00 N ATOM 874 CA GLU A 58 8.308 26.957 54.806 1.00 0.00 C ATOM 875 C GLU A 58 9.355 25.925 55.208 1.00 0.00 C ATOM 876 O GLU A 58 10.369 25.758 54.532 1.00 0.00 O ATOM 877 CB GLU A 58 7.160 26.266 54.063 1.00 0.00 C ATOM 878 CG GLU A 58 7.458 26.073 52.573 1.00 0.00 C ATOM 879 CD GLU A 58 8.851 25.491 52.363 1.00 0.00 C ATOM 880 OE1 GLU A 58 8.983 24.249 52.360 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.807 26.278 52.201 1.00 0.00 O ATOM 0 H GLU A 58 8.414 28.177 53.102 1.00 0.00 H new ATOM 0 HA GLU A 58 7.912 27.429 55.706 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.967 25.296 54.520 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.251 26.857 54.175 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.713 25.410 52.133 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.378 27.029 52.056 1.00 0.00 H new ATOM 888 N PRO A 59 9.117 25.211 56.322 1.00 0.00 N ATOM 889 CA PRO A 59 10.039 24.182 56.811 1.00 0.00 C ATOM 890 C PRO A 59 9.921 22.894 56.003 1.00 0.00 C ATOM 891 O PRO A 59 10.846 22.083 55.966 1.00 0.00 O ATOM 892 CB PRO A 59 9.603 23.957 58.251 1.00 0.00 C ATOM 893 CG PRO A 59 8.166 24.356 58.305 1.00 0.00 C ATOM 894 CD PRO A 59 7.933 25.343 57.188 1.00 0.00 C ATOM 0 HA PRO A 59 11.082 24.487 56.724 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.731 22.914 58.540 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.201 24.554 58.939 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.521 23.485 58.189 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.927 24.804 59.270 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.016 25.116 56.643 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.833 26.359 57.571 1.00 0.00 H new ATOM 902 N LEU A 60 8.771 22.716 55.357 1.00 0.00 N ATOM 903 CA LEU A 60 8.515 21.532 54.545 1.00 0.00 C ATOM 904 C LEU A 60 9.523 21.434 53.409 1.00 0.00 C ATOM 905 O LEU A 60 10.318 22.348 53.190 1.00 0.00 O ATOM 906 CB LEU A 60 7.098 21.596 53.981 1.00 0.00 C ATOM 907 CG LEU A 60 6.059 21.434 55.088 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.657 21.714 54.554 1.00 0.00 C ATOM 909 CD2 LEU A 60 6.133 20.034 55.692 1.00 0.00 C ATOM 0 H LEU A 60 7.998 23.382 55.382 1.00 0.00 H new ATOM 0 HA LEU A 60 8.616 20.646 55.172 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.948 22.549 53.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.964 20.813 53.235 1.00 0.00 H new ATOM 0 HG LEU A 60 6.278 22.159 55.872 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.931 21.593 55.358 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.610 22.734 54.172 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.428 21.015 53.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.385 19.937 56.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.941 19.293 54.916 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.125 19.871 56.112 1.00 0.00 H new ATOM 921 N GLN A 61 9.486 20.317 52.688 1.00 0.00 N ATOM 922 CA GLN A 61 10.397 20.093 51.570 1.00 0.00 C ATOM 923 C GLN A 61 10.216 18.685 51.016 1.00 0.00 C ATOM 924 O GLN A 61 10.458 17.699 51.712 1.00 0.00 O ATOM 925 CB GLN A 61 11.839 20.291 52.026 1.00 0.00 C ATOM 926 CG GLN A 61 12.367 21.662 51.613 1.00 0.00 C ATOM 927 CD GLN A 61 13.513 21.510 50.621 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.651 21.876 50.912 1.00 0.00 O ATOM 929 NE2 GLN A 61 13.213 20.969 49.446 1.00 0.00 N ATOM 0 H GLN A 61 8.834 19.552 52.859 1.00 0.00 H new ATOM 0 HA GLN A 61 10.170 20.812 50.783 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.898 20.187 53.109 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.469 19.512 51.597 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.565 22.248 51.165 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.708 22.208 52.493 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.255 20.680 49.247 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.940 20.843 48.742 1.00 0.00 H new ATOM 938 N GLY A 62 9.789 18.597 49.760 1.00 0.00 N ATOM 939 CA GLY A 62 9.574 17.307 49.112 1.00 0.00 C ATOM 940 C GLY A 62 9.058 17.498 47.688 1.00 0.00 C ATOM 941 O GLY A 62 9.683 18.192 46.886 1.00 0.00 O ATOM 0 H GLY A 62 9.585 19.404 49.170 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.507 16.744 49.094 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.858 16.720 49.688 1.00 0.00 H new ATOM 945 N PRO A 63 7.908 16.885 47.349 1.00 0.00 N ATOM 946 CA PRO A 63 7.319 17.000 46.006 1.00 0.00 C ATOM 947 C PRO A 63 6.694 18.370 45.768 1.00 0.00 C ATOM 948 O PRO A 63 6.163 18.988 46.691 1.00 0.00 O ATOM 949 CB PRO A 63 6.258 15.908 45.973 1.00 0.00 C ATOM 950 CG PRO A 63 5.887 15.674 47.400 1.00 0.00 C ATOM 951 CD PRO A 63 7.090 16.038 48.235 1.00 0.00 C ATOM 0 HA PRO A 63 8.070 16.890 45.224 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.392 16.218 45.388 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.644 14.998 45.513 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.026 16.281 47.679 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.608 14.633 47.560 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.799 16.573 49.139 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.637 15.150 48.552 1.00 0.00 H new ATOM 959 N PHE A 64 6.761 18.839 44.527 1.00 0.00 N ATOM 960 CA PHE A 64 6.203 20.138 44.168 1.00 0.00 C ATOM 961 C PHE A 64 5.292 20.007 42.954 1.00 0.00 C ATOM 962 O PHE A 64 5.068 18.906 42.451 1.00 0.00 O ATOM 963 CB PHE A 64 7.331 21.121 43.867 1.00 0.00 C ATOM 964 CG PHE A 64 8.135 21.484 45.091 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.617 22.366 46.026 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.392 20.936 45.280 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.356 22.699 47.149 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.132 21.269 46.403 1.00 0.00 C ATOM 969 CZ PHE A 64 9.614 22.150 47.337 1.00 0.00 C ATOM 0 H PHE A 64 7.196 18.339 43.752 1.00 0.00 H new ATOM 0 HA PHE A 64 5.616 20.511 45.007 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.994 20.687 43.118 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.910 22.028 43.433 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.636 22.794 45.879 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.796 20.248 44.552 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.952 23.386 47.878 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.113 20.841 46.550 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.191 22.409 48.212 1.00 0.00 H new ATOM 979 N ASN A 65 4.767 21.135 42.487 1.00 0.00 N ATOM 980 CA ASN A 65 3.879 21.144 41.329 1.00 0.00 C ATOM 981 C ASN A 65 4.100 22.405 40.503 1.00 0.00 C ATOM 982 O ASN A 65 4.462 23.452 41.039 1.00 0.00 O ATOM 983 CB ASN A 65 2.421 21.062 41.780 1.00 0.00 C ATOM 984 CG ASN A 65 2.265 20.038 42.898 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.713 18.957 42.691 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.751 20.379 44.085 1.00 0.00 N ATOM 0 H ASN A 65 4.941 22.055 42.892 1.00 0.00 H new ATOM 0 HA ASN A 65 4.106 20.275 40.711 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.085 22.040 42.125 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.788 20.787 40.936 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.675 19.734 44.872 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.201 21.286 44.211 1.00 0.00 H new ATOM 993 N PHE A 66 3.886 22.298 39.195 1.00 0.00 N ATOM 994 CA PHE A 66 4.069 23.434 38.295 1.00 0.00 C ATOM 995 C PHE A 66 2.995 23.450 37.217 1.00 0.00 C ATOM 996 O PHE A 66 2.362 22.431 36.938 1.00 0.00 O ATOM 997 CB PHE A 66 5.443 23.365 37.643 1.00 0.00 C ATOM 998 CG PHE A 66 6.566 23.679 38.601 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.084 22.682 39.412 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.081 24.963 38.669 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.115 22.970 40.291 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.113 25.250 39.547 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.630 24.254 40.358 1.00 0.00 C ATOM 0 H PHE A 66 3.586 21.439 38.735 1.00 0.00 H new ATOM 0 HA PHE A 66 3.988 24.349 38.881 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.593 22.368 37.230 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.479 24.065 36.808 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.684 21.680 39.359 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.678 25.741 38.037 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.517 22.193 40.924 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.515 26.251 39.599 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.435 24.478 41.043 1.00 0.00 H new ATOM 1013 N ARG A 67 2.798 24.617 36.610 1.00 0.00 N ATOM 1014 CA ARG A 67 1.803 24.784 35.554 1.00 0.00 C ATOM 1015 C ARG A 67 2.203 25.934 34.640 1.00 0.00 C ATOM 1016 O ARG A 67 1.486 26.927 34.525 1.00 0.00 O ATOM 1017 CB ARG A 67 0.431 25.061 36.162 1.00 0.00 C ATOM 1018 CG ARG A 67 0.174 24.175 37.378 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.199 24.448 37.994 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.188 24.711 36.953 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.081 25.689 37.070 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.849 25.763 38.148 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.208 26.593 36.108 1.00 0.00 N ATOM 0 H ARG A 67 3.318 25.466 36.833 1.00 0.00 H new ATOM 0 HA ARG A 67 1.753 23.864 34.971 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.365 26.109 36.453 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.342 24.888 35.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.240 23.127 37.086 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.949 24.347 38.125 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.512 23.592 38.592 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.137 25.302 38.668 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.194 24.130 36.115 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.755 25.069 38.890 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.534 26.514 38.236 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.620 26.539 35.276 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.894 27.342 36.200 1.00 0.00 H new ATOM 1037 N PHE A 68 3.358 25.796 34.000 1.00 0.00 N ATOM 1038 CA PHE A 68 3.868 26.828 33.101 1.00 0.00 C ATOM 1039 C PHE A 68 2.798 27.268 32.114 1.00 0.00 C ATOM 1040 O PHE A 68 1.694 26.724 32.086 1.00 0.00 O ATOM 1041 CB PHE A 68 5.079 26.305 32.336 1.00 0.00 C ATOM 1042 CG PHE A 68 4.845 24.947 31.721 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.036 24.825 30.603 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.437 23.823 32.272 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.819 23.579 30.037 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.221 22.577 31.706 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.411 22.455 30.589 1.00 0.00 C ATOM 0 H PHE A 68 3.961 24.978 34.086 1.00 0.00 H new ATOM 0 HA PHE A 68 4.160 27.687 33.706 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.340 27.014 31.550 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.933 26.250 33.011 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.574 25.701 30.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.068 23.918 33.144 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.188 23.484 29.165 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.684 21.701 32.136 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.241 21.484 30.149 1.00 0.00 H new ATOM 1057 N LEU A 69 3.147 28.254 31.299 1.00 0.00 N ATOM 1058 CA LEU A 69 2.241 28.784 30.287 1.00 0.00 C ATOM 1059 C LEU A 69 3.026 29.102 29.023 1.00 0.00 C ATOM 1060 O LEU A 69 3.156 30.263 28.641 1.00 0.00 O ATOM 1061 CB LEU A 69 1.552 30.043 30.806 1.00 0.00 C ATOM 1062 CG LEU A 69 1.083 29.863 32.246 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.625 31.196 32.829 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.039 28.831 32.320 1.00 0.00 C ATOM 0 H LEU A 69 4.060 28.707 31.319 1.00 0.00 H new ATOM 0 HA LEU A 69 1.479 28.039 30.061 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.239 30.887 30.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.699 30.282 30.170 1.00 0.00 H new ATOM 0 HG LEU A 69 1.922 29.499 32.838 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.294 31.049 33.857 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.453 31.904 32.813 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.200 31.589 32.235 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.360 28.716 33.355 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.881 29.165 31.714 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.322 27.874 31.944 1.00 0.00 H new ATOM 1076 N THR A 70 3.561 28.051 28.396 1.00 0.00 N ATOM 1077 CA THR A 70 4.371 28.163 27.174 1.00 0.00 C ATOM 1078 C THR A 70 3.954 29.342 26.298 1.00 0.00 C ATOM 1079 O THR A 70 2.769 29.569 26.057 1.00 0.00 O ATOM 1080 CB THR A 70 4.267 26.868 26.374 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.921 26.644 25.983 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.781 25.686 27.192 1.00 0.00 C ATOM 0 H THR A 70 3.445 27.091 28.722 1.00 0.00 H new ATOM 0 HA THR A 70 5.401 28.339 27.482 1.00 0.00 H new ATOM 0 HB THR A 70 4.885 26.963 25.481 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.422 26.260 26.734 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.698 24.772 26.603 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.825 25.853 27.457 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.188 25.587 28.101 1.00 0.00 H new ATOM 1090 N GLU A 71 4.953 30.086 25.826 1.00 0.00 N ATOM 1091 CA GLU A 71 4.741 31.250 24.972 1.00 0.00 C ATOM 1092 C GLU A 71 3.641 30.998 23.943 1.00 0.00 C ATOM 1093 O GLU A 71 2.863 31.896 23.621 1.00 0.00 O ATOM 1094 CB GLU A 71 6.043 31.583 24.271 1.00 0.00 C ATOM 1095 CG GLU A 71 6.622 32.907 24.761 1.00 0.00 C ATOM 1096 CD GLU A 71 6.726 33.896 23.607 1.00 0.00 C ATOM 1097 OE1 GLU A 71 7.721 33.832 22.856 1.00 0.00 O ATOM 1098 OE2 GLU A 71 5.812 34.734 23.457 1.00 0.00 O ATOM 0 H GLU A 71 5.935 29.897 26.027 1.00 0.00 H new ATOM 0 HA GLU A 71 4.421 32.087 25.593 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.764 30.784 24.443 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.875 31.635 23.195 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.990 33.320 25.547 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.607 32.742 25.198 1.00 0.00 H new ATOM 1105 N LYS A 72 3.582 29.773 23.430 1.00 0.00 N ATOM 1106 CA LYS A 72 2.577 29.407 22.437 1.00 0.00 C ATOM 1107 C LYS A 72 1.178 29.548 23.022 1.00 0.00 C ATOM 1108 O LYS A 72 0.310 30.193 22.432 1.00 0.00 O ATOM 1109 CB LYS A 72 2.804 27.973 21.967 1.00 0.00 C ATOM 1110 CG LYS A 72 2.401 27.802 20.505 1.00 0.00 C ATOM 1111 CD LYS A 72 0.884 27.823 20.344 1.00 0.00 C ATOM 1112 CE LYS A 72 0.481 27.631 18.885 1.00 0.00 C ATOM 1113 NZ LYS A 72 -0.987 27.407 18.754 1.00 0.00 N ATOM 0 H LYS A 72 4.218 29.017 23.685 1.00 0.00 H new ATOM 0 HA LYS A 72 2.669 30.079 21.584 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.854 27.709 22.091 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.227 27.288 22.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.844 28.599 19.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.797 26.861 20.124 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.440 27.036 20.953 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.490 28.771 20.711 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.770 28.509 18.307 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.020 26.781 18.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.231 27.280 17.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.257 26.556 19.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.499 28.229 19.133 1.00 0.00 H new ATOM 1127 N GLY A 73 0.963 28.941 24.185 1.00 0.00 N ATOM 1128 CA GLY A 73 -0.333 28.999 24.852 1.00 0.00 C ATOM 1129 C GLY A 73 -0.786 27.608 25.276 1.00 0.00 C ATOM 1130 O GLY A 73 -1.894 27.180 24.952 1.00 0.00 O ATOM 0 H GLY A 73 1.670 28.403 24.685 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.269 29.647 25.726 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.072 29.439 24.182 1.00 0.00 H new ATOM 1134 N MET A 74 0.077 26.905 26.003 1.00 0.00 N ATOM 1135 CA MET A 74 -0.233 25.559 26.475 1.00 0.00 C ATOM 1136 C MET A 74 0.124 25.417 27.948 1.00 0.00 C ATOM 1137 O MET A 74 1.240 25.732 28.360 1.00 0.00 O ATOM 1138 CB MET A 74 0.537 24.527 25.655 1.00 0.00 C ATOM 1139 CG MET A 74 0.401 24.791 24.158 1.00 0.00 C ATOM 1140 SD MET A 74 1.764 24.091 23.213 1.00 0.00 S ATOM 1141 CE MET A 74 1.105 22.463 22.821 1.00 0.00 C ATOM 0 H MET A 74 0.998 27.246 26.279 1.00 0.00 H new ATOM 0 HA MET A 74 -1.303 25.387 26.355 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.590 24.549 25.936 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.167 23.528 25.885 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.539 24.370 23.801 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.356 25.866 23.984 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.836 21.906 22.236 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.893 21.924 23.745 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.186 22.572 22.245 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.830 24.935 28.739 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.617 24.745 30.170 1.00 0.00 C ATOM 1153 C LYS A 75 -0.737 23.269 30.524 1.00 0.00 C ATOM 1154 O LYS A 75 -1.131 22.451 29.692 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.638 25.552 30.972 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.884 26.922 30.347 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.829 26.817 29.154 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.862 27.940 29.164 1.00 0.00 C ATOM 1159 NZ LYS A 75 -4.452 28.145 27.811 1.00 0.00 N ATOM 0 H LYS A 75 -1.759 24.669 28.413 1.00 0.00 H new ATOM 0 HA LYS A 75 0.385 25.094 30.421 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.577 25.001 31.026 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.283 25.676 31.995 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.307 27.595 31.093 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.936 27.355 30.028 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.255 26.856 28.228 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.337 25.853 29.173 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.653 27.703 29.876 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.394 28.864 29.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.150 28.915 27.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.699 28.394 27.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.919 27.269 27.499 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.397 22.935 31.762 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.467 21.554 32.232 1.00 0.00 C ATOM 1175 C ASN A 76 0.154 21.431 33.618 1.00 0.00 C ATOM 1176 O ASN A 76 1.190 22.033 33.901 1.00 0.00 O ATOM 1177 CB ASN A 76 0.256 20.630 31.255 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.704 19.576 30.716 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.465 18.376 30.854 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.792 20.024 30.100 1.00 0.00 N ATOM 0 H ASN A 76 -0.069 23.601 32.461 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.515 21.261 32.291 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.668 21.212 30.431 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.095 20.146 31.755 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.470 19.364 29.718 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.950 21.028 30.009 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.485 20.647 34.478 1.00 0.00 N ATOM 1188 CA VAL A 77 0.003 20.442 35.837 1.00 0.00 C ATOM 1189 C VAL A 77 0.984 19.278 35.876 1.00 0.00 C ATOM 1190 O VAL A 77 0.943 18.389 35.026 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.170 20.170 36.776 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.674 19.896 38.193 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.141 21.346 36.769 1.00 0.00 C ATOM 0 H VAL A 77 -1.344 20.142 34.258 1.00 0.00 H new ATOM 0 HA VAL A 77 0.519 21.344 36.165 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.696 19.284 36.420 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.526 19.705 38.846 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.018 19.025 38.187 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.123 20.762 38.560 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.971 21.136 37.443 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.624 22.247 37.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.523 21.497 35.759 1.00 0.00 H new ATOM 1203 N PHE A 78 1.864 19.290 36.870 1.00 0.00 N ATOM 1204 CA PHE A 78 2.860 18.236 37.029 1.00 0.00 C ATOM 1205 C PHE A 78 3.090 17.953 38.507 1.00 0.00 C ATOM 1206 O PHE A 78 3.663 18.771 39.224 1.00 0.00 O ATOM 1207 CB PHE A 78 4.166 18.650 36.358 1.00 0.00 C ATOM 1208 CG PHE A 78 4.030 18.771 34.861 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.165 17.648 34.062 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.764 20.002 34.285 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.033 17.756 32.688 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.633 20.110 32.910 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.767 18.987 32.112 1.00 0.00 C ATOM 0 H PHE A 78 1.908 20.020 37.581 1.00 0.00 H new ATOM 0 HA PHE A 78 2.495 17.326 36.554 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.496 19.604 36.768 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.939 17.918 36.592 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.373 16.688 34.511 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.659 20.878 34.908 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.138 16.880 32.065 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.426 21.070 32.461 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.664 19.071 31.040 1.00 0.00 H new ATOM 1223 N ASP A 79 2.626 16.793 38.957 1.00 0.00 N ATOM 1224 CA ASP A 79 2.764 16.400 40.356 1.00 0.00 C ATOM 1225 C ASP A 79 4.211 16.054 40.686 1.00 0.00 C ATOM 1226 O ASP A 79 5.030 15.834 39.794 1.00 0.00 O ATOM 1227 CB ASP A 79 1.865 15.202 40.650 1.00 0.00 C ATOM 1228 CG ASP A 79 1.485 15.174 42.126 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.933 16.069 42.874 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.740 14.258 42.532 1.00 0.00 O ATOM 0 H ASP A 79 2.150 16.106 38.372 1.00 0.00 H new ATOM 0 HA ASP A 79 2.462 17.242 40.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.965 15.255 40.037 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.379 14.279 40.382 1.00 0.00 H new ATOM 1235 N ASP A 80 4.512 16.006 41.980 1.00 0.00 N ATOM 1236 CA ASP A 80 5.853 15.686 42.455 1.00 0.00 C ATOM 1237 C ASP A 80 6.900 16.548 41.743 1.00 0.00 C ATOM 1238 O ASP A 80 7.152 17.680 42.156 1.00 0.00 O ATOM 1239 CB ASP A 80 6.129 14.193 42.257 1.00 0.00 C ATOM 1240 CG ASP A 80 7.560 13.859 42.658 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.972 14.244 43.772 1.00 0.00 O ATOM 1242 OD2 ASP A 80 8.267 13.212 41.856 1.00 0.00 O ATOM 0 H ASP A 80 3.838 16.187 42.724 1.00 0.00 H new ATOM 0 HA ASP A 80 5.918 15.909 43.520 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.431 13.606 42.854 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.964 13.921 41.214 1.00 0.00 H new ATOM 1247 N VAL A 81 7.507 16.013 40.680 1.00 0.00 N ATOM 1248 CA VAL A 81 8.522 16.729 39.909 1.00 0.00 C ATOM 1249 C VAL A 81 9.794 16.991 40.733 1.00 0.00 C ATOM 1250 O VAL A 81 10.724 17.633 40.245 1.00 0.00 O ATOM 1251 CB VAL A 81 7.920 18.038 39.396 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.974 18.921 38.729 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.784 17.750 38.420 1.00 0.00 C ATOM 0 H VAL A 81 7.308 15.075 40.332 1.00 0.00 H new ATOM 0 HA VAL A 81 8.824 16.108 39.066 1.00 0.00 H new ATOM 0 HB VAL A 81 7.527 18.580 40.256 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.508 19.842 38.378 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.756 19.162 39.450 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.411 18.390 37.883 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.364 18.690 38.062 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.167 17.179 37.574 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.008 17.175 38.925 1.00 0.00 H new ATOM 1263 N VAL A 82 9.852 16.479 41.966 1.00 0.00 N ATOM 1264 CA VAL A 82 11.026 16.663 42.818 1.00 0.00 C ATOM 1265 C VAL A 82 11.059 15.601 43.918 1.00 0.00 C ATOM 1266 O VAL A 82 10.065 15.387 44.612 1.00 0.00 O ATOM 1267 CB VAL A 82 11.008 18.054 43.460 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.206 18.230 44.395 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.005 19.147 42.396 1.00 0.00 C ATOM 0 H VAL A 82 9.102 15.936 42.393 1.00 0.00 H new ATOM 0 HA VAL A 82 11.915 16.565 42.195 1.00 0.00 H new ATOM 0 HB VAL A 82 10.092 18.142 44.044 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.176 19.224 44.842 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.167 17.477 45.182 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.130 18.115 43.828 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.992 20.124 42.878 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.900 19.058 41.780 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.121 19.041 41.768 1.00 0.00 H new ATOM 1279 N PRO A 83 12.209 14.926 44.098 1.00 0.00 N ATOM 1280 CA PRO A 83 12.370 13.888 45.133 1.00 0.00 C ATOM 1281 C PRO A 83 12.387 14.486 46.536 1.00 0.00 C ATOM 1282 O PRO A 83 12.023 15.646 46.730 1.00 0.00 O ATOM 1283 CB PRO A 83 13.720 13.258 44.810 1.00 0.00 C ATOM 1284 CG PRO A 83 14.472 14.318 44.079 1.00 0.00 C ATOM 1285 CD PRO A 83 13.447 15.119 43.323 1.00 0.00 C ATOM 0 HA PRO A 83 11.546 13.174 45.127 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.243 12.957 45.718 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.603 12.364 44.198 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.025 14.951 44.773 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.201 13.878 43.398 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.724 16.172 43.267 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.337 14.763 42.299 1.00 0.00 H new ATOM 1293 N GLU A 84 12.822 13.692 47.511 1.00 0.00 N ATOM 1294 CA GLU A 84 12.899 14.151 48.894 1.00 0.00 C ATOM 1295 C GLU A 84 14.081 15.096 49.060 1.00 0.00 C ATOM 1296 O GLU A 84 13.929 16.221 49.537 1.00 0.00 O ATOM 1297 CB GLU A 84 13.050 12.958 49.834 1.00 0.00 C ATOM 1298 CG GLU A 84 11.795 12.758 50.679 1.00 0.00 C ATOM 1299 CD GLU A 84 11.765 13.762 51.825 1.00 0.00 C ATOM 1300 OE1 GLU A 84 12.719 13.772 52.632 1.00 0.00 O ATOM 1301 OE2 GLU A 84 10.789 14.535 51.914 1.00 0.00 O ATOM 0 H GLU A 84 13.126 12.729 47.369 1.00 0.00 H new ATOM 0 HA GLU A 84 11.980 14.682 49.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.248 12.057 49.253 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.910 13.112 50.486 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.907 12.878 50.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.773 11.743 51.075 1.00 0.00 H new ATOM 1308 N LYS A 85 15.260 14.632 48.655 1.00 0.00 N ATOM 1309 CA LYS A 85 16.476 15.434 48.747 1.00 0.00 C ATOM 1310 C LYS A 85 16.942 15.834 47.354 1.00 0.00 C ATOM 1311 O LYS A 85 17.859 15.230 46.797 1.00 0.00 O ATOM 1312 CB LYS A 85 17.571 14.642 49.457 1.00 0.00 C ATOM 1313 CG LYS A 85 17.347 14.622 50.966 1.00 0.00 C ATOM 1314 CD LYS A 85 18.185 15.691 51.662 1.00 0.00 C ATOM 1315 CE LYS A 85 17.913 15.717 53.163 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.678 14.651 53.870 1.00 0.00 N ATOM 0 H LYS A 85 15.399 13.702 48.259 1.00 0.00 H new ATOM 0 HA LYS A 85 16.263 16.336 49.321 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.590 13.621 49.076 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.543 15.083 49.237 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.291 14.786 51.182 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.604 13.639 51.362 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.243 15.499 51.485 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.962 16.668 51.233 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.185 16.692 53.567 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.846 15.583 53.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.473 14.694 54.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.400 13.720 53.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.696 14.794 53.716 1.00 0.00 H new ATOM 1330 N TYR A 86 16.298 16.853 46.792 1.00 0.00 N ATOM 1331 CA TYR A 86 16.635 17.338 45.456 1.00 0.00 C ATOM 1332 C TYR A 86 18.139 17.532 45.312 1.00 0.00 C ATOM 1333 O TYR A 86 18.796 18.068 46.204 1.00 0.00 O ATOM 1334 CB TYR A 86 15.914 18.655 45.187 1.00 0.00 C ATOM 1335 CG TYR A 86 16.419 19.785 46.047 1.00 0.00 C ATOM 1336 CD1 TYR A 86 15.853 20.017 47.289 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.449 20.594 45.597 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.317 21.056 48.079 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.912 21.632 46.388 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.344 21.858 47.625 1.00 0.00 C ATOM 1341 OH TYR A 86 17.804 22.890 48.410 1.00 0.00 O ATOM 0 H TYR A 86 15.537 17.361 47.243 1.00 0.00 H new ATOM 0 HA TYR A 86 16.314 16.593 44.728 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.035 18.922 44.137 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.846 18.521 45.361 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.049 19.388 47.642 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.892 20.415 44.628 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.876 21.238 49.048 1.00 0.00 H new ATOM 0 HE2 TYR A 86 18.715 22.263 46.038 1.00 0.00 H new ATOM 0 HH TYR A 86 18.530 23.357 47.945 1.00 0.00 H new ATOM 1351 N THR A 87 18.676 17.095 44.179 1.00 0.00 N ATOM 1352 CA THR A 87 20.104 17.220 43.906 1.00 0.00 C ATOM 1353 C THR A 87 20.325 17.987 42.609 1.00 0.00 C ATOM 1354 O THR A 87 19.938 17.532 41.533 1.00 0.00 O ATOM 1355 CB THR A 87 20.739 15.836 43.808 1.00 0.00 C ATOM 1356 OG1 THR A 87 20.501 15.107 45.003 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.239 15.945 43.552 1.00 0.00 C ATOM 0 H THR A 87 18.143 16.650 43.432 1.00 0.00 H new ATOM 0 HA THR A 87 20.572 17.769 44.723 1.00 0.00 H new ATOM 0 HB THR A 87 20.285 15.308 42.970 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.910 14.219 44.932 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.670 14.946 43.486 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.411 16.477 42.616 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.709 16.490 44.371 1.00 0.00 H new ATOM 1365 N ILE A 88 20.946 19.156 42.719 1.00 0.00 N ATOM 1366 CA ILE A 88 21.217 19.993 41.555 1.00 0.00 C ATOM 1367 C ILE A 88 22.002 19.214 40.507 1.00 0.00 C ATOM 1368 O ILE A 88 23.117 18.760 40.764 1.00 0.00 O ATOM 1369 CB ILE A 88 22.000 21.231 41.979 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.210 22.031 43.012 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.331 22.102 40.771 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.925 22.052 44.359 1.00 0.00 C ATOM 0 H ILE A 88 21.272 19.546 43.603 1.00 0.00 H new ATOM 0 HA ILE A 88 20.267 20.301 41.118 1.00 0.00 H new ATOM 0 HB ILE A 88 22.937 20.905 42.432 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.070 23.052 42.656 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.218 21.596 43.131 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.890 22.979 41.097 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.933 21.531 40.064 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.407 22.419 40.287 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.338 22.629 45.074 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.041 21.032 44.725 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.907 22.510 44.242 1.00 0.00 H new ATOM 1384 N GLY A 89 21.416 19.066 39.323 1.00 0.00 N ATOM 1385 CA GLY A 89 22.063 18.346 38.232 1.00 0.00 C ATOM 1386 C GLY A 89 21.396 16.998 37.992 1.00 0.00 C ATOM 1387 O GLY A 89 22.066 15.967 37.937 1.00 0.00 O ATOM 0 H GLY A 89 20.493 19.436 39.095 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.019 18.944 37.322 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.117 18.197 38.465 1.00 0.00 H new ATOM 1391 N ALA A 90 20.074 17.007 37.847 1.00 0.00 N ATOM 1392 CA ALA A 90 19.325 15.776 37.609 1.00 0.00 C ATOM 1393 C ALA A 90 17.854 16.079 37.354 1.00 0.00 C ATOM 1394 O ALA A 90 17.243 16.879 38.063 1.00 0.00 O ATOM 1395 CB ALA A 90 19.458 14.846 38.812 1.00 0.00 C ATOM 0 H ALA A 90 19.501 17.849 37.890 1.00 0.00 H new ATOM 0 HA ALA A 90 19.737 15.288 36.726 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.897 13.930 38.628 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.509 14.602 38.969 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.063 15.341 39.700 1.00 0.00 H new ATOM 1401 N THR A 91 17.288 15.429 36.341 1.00 0.00 N ATOM 1402 CA THR A 91 15.884 15.622 35.998 1.00 0.00 C ATOM 1403 C THR A 91 15.004 14.818 36.946 1.00 0.00 C ATOM 1404 O THR A 91 15.239 13.630 37.166 1.00 0.00 O ATOM 1405 CB THR A 91 15.630 15.189 34.557 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.622 15.738 33.704 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.243 15.627 34.097 1.00 0.00 C ATOM 0 H THR A 91 17.780 14.765 35.744 1.00 0.00 H new ATOM 0 HA THR A 91 15.639 16.680 36.095 1.00 0.00 H new ATOM 0 HB THR A 91 15.679 14.101 34.510 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.453 15.454 32.781 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.084 15.308 33.067 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.487 15.174 34.738 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.166 16.713 34.156 1.00 0.00 H new ATOM 1415 N TYR A 92 14.003 15.475 37.520 1.00 0.00 N ATOM 1416 CA TYR A 92 13.103 14.824 38.459 1.00 0.00 C ATOM 1417 C TYR A 92 11.684 14.759 37.907 1.00 0.00 C ATOM 1418 O TYR A 92 10.885 13.922 38.330 1.00 0.00 O ATOM 1419 CB TYR A 92 13.120 15.590 39.773 1.00 0.00 C ATOM 1420 CG TYR A 92 14.491 15.623 40.400 1.00 0.00 C ATOM 1421 CD1 TYR A 92 15.173 14.441 40.634 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.072 16.833 40.739 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.433 14.469 41.205 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.333 16.859 41.312 1.00 0.00 C ATOM 1425 CZ TYR A 92 17.007 15.677 41.542 1.00 0.00 C ATOM 1426 OH TYR A 92 18.260 15.703 42.109 1.00 0.00 O ATOM 0 H TYR A 92 13.796 16.459 37.350 1.00 0.00 H new ATOM 0 HA TYR A 92 13.442 13.801 38.621 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.778 16.610 39.600 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.417 15.131 40.468 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.721 13.496 40.371 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.542 17.756 40.557 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.966 13.547 41.386 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.787 17.802 41.578 1.00 0.00 H new ATOM 0 HH TYR A 92 18.853 16.264 41.567 1.00 0.00 H new ATOM 1436 N ALA A 93 11.370 15.640 36.963 1.00 0.00 N ATOM 1437 CA ALA A 93 10.040 15.674 36.360 1.00 0.00 C ATOM 1438 C ALA A 93 9.627 14.280 35.896 1.00 0.00 C ATOM 1439 O ALA A 93 10.391 13.323 36.023 1.00 0.00 O ATOM 1440 CB ALA A 93 10.029 16.637 35.179 1.00 0.00 C ATOM 0 H ALA A 93 12.017 16.340 36.598 1.00 0.00 H new ATOM 0 HA ALA A 93 9.328 16.017 37.110 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.034 16.657 34.735 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.293 17.637 35.523 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.753 16.307 34.434 1.00 0.00 H new ATOM 1446 N PRO A 94 8.406 14.150 35.349 1.00 0.00 N ATOM 1447 CA PRO A 94 7.889 12.866 34.865 1.00 0.00 C ATOM 1448 C PRO A 94 8.422 12.521 33.479 1.00 0.00 C ATOM 1449 O PRO A 94 8.483 13.428 32.622 1.00 0.00 O ATOM 1450 CB PRO A 94 6.382 13.070 34.829 1.00 0.00 C ATOM 1451 CG PRO A 94 6.173 14.545 34.687 1.00 0.00 C ATOM 1452 CD PRO A 94 7.432 15.237 35.160 1.00 0.00 C ATOM 0 HA PRO A 94 8.194 12.037 35.503 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.934 12.530 33.995 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.915 12.695 35.740 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.962 14.803 33.649 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.315 14.868 35.276 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.785 15.962 34.427 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.260 15.781 36.089 1.00 0.00 H new