USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 Set 1.1: A 39 HIS :FLIP no HE2:sc= -4.4! F(o=-4.9,f=-4.4!) USER MOD Set 1.2: A 43 ASN : amide:sc=-0.00984 X(o=-4.4,f=-4.4) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0885 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -168:sc= -0.104 (180deg=-0.434) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc=-0.00567 (180deg=-0.0923) USER MOD Single : A 10 THR OG1 : rot -62:sc= 1.08 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0104 (180deg=-0.127) USER MOD Single : A 13 TYR OH : rot -15:sc= 0.753 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : A 23 THR OG1 : rot -70:sc= 0.758 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 81:sc= -0.321 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0265 (180deg=-0.157) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -13:sc= 0.755 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 151:sc= 0.745 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -103:sc= 0.509 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.887 4.090 -4.622 1.00 0.00 N ATOM 2 CA GLY A 1 12.725 3.190 -5.431 1.00 0.00 C ATOM 3 C GLY A 1 12.425 3.315 -6.905 1.00 0.00 C ATOM 4 O GLY A 1 11.760 4.264 -7.335 1.00 0.00 O ATOM 0 H1 GLY A 1 12.479 4.580 -3.921 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.432 4.791 -5.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.157 3.536 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.776 3.416 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.563 2.160 -5.114 1.00 0.00 H new ATOM 10 N GLU A 2 12.905 2.362 -7.679 1.00 0.00 N ATOM 11 CA GLU A 2 12.708 2.364 -9.115 1.00 0.00 C ATOM 12 C GLU A 2 11.345 1.789 -9.488 1.00 0.00 C ATOM 13 O GLU A 2 10.807 0.927 -8.780 1.00 0.00 O ATOM 14 CB GLU A 2 13.826 1.583 -9.798 1.00 0.00 C ATOM 15 CG GLU A 2 15.208 2.152 -9.523 1.00 0.00 C ATOM 16 CD GLU A 2 16.313 1.351 -10.165 1.00 0.00 C ATOM 17 OE1 GLU A 2 16.956 0.552 -9.458 1.00 0.00 O ATOM 18 OE2 GLU A 2 16.553 1.521 -11.372 1.00 0.00 O ATOM 0 H GLU A 2 13.441 1.567 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 2 12.736 3.397 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.794 0.546 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.651 1.576 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.252 3.178 -9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.372 2.189 -8.446 1.00 0.00 H new ATOM 25 N PHE A 3 10.800 2.283 -10.608 1.00 0.00 N ATOM 26 CA PHE A 3 9.486 1.875 -11.130 1.00 0.00 C ATOM 27 C PHE A 3 8.353 2.307 -10.201 1.00 0.00 C ATOM 28 O PHE A 3 7.253 1.744 -10.234 1.00 0.00 O ATOM 29 CB PHE A 3 9.429 0.364 -11.400 1.00 0.00 C ATOM 30 CG PHE A 3 10.426 -0.101 -12.423 1.00 0.00 C ATOM 31 CD1 PHE A 3 11.589 -0.746 -12.038 1.00 0.00 C ATOM 32 CD2 PHE A 3 10.201 0.117 -13.771 1.00 0.00 C ATOM 33 CE1 PHE A 3 12.507 -1.165 -12.979 1.00 0.00 C ATOM 34 CE2 PHE A 3 11.116 -0.301 -14.716 1.00 0.00 C ATOM 35 CZ PHE A 3 12.270 -0.943 -14.320 1.00 0.00 C ATOM 0 H PHE A 3 11.263 2.985 -11.185 1.00 0.00 H new ATOM 0 HA PHE A 3 9.348 2.387 -12.082 1.00 0.00 H new ATOM 0 HB2 PHE A 3 9.603 -0.171 -10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 3 8.426 0.101 -11.736 1.00 0.00 H new ATOM 0 HD1 PHE A 3 11.780 -0.923 -10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.299 0.620 -14.087 1.00 0.00 H new ATOM 0 HE1 PHE A 3 13.411 -1.667 -12.666 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.928 -0.125 -15.765 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.987 -1.271 -15.058 1.00 0.00 H new ATOM 45 N GLY A 4 8.624 3.328 -9.400 1.00 0.00 N ATOM 46 CA GLY A 4 7.630 3.858 -8.496 1.00 0.00 C ATOM 47 C GLY A 4 7.325 2.921 -7.356 1.00 0.00 C ATOM 48 O GLY A 4 8.134 2.051 -7.021 1.00 0.00 O ATOM 0 H GLY A 4 9.527 3.802 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.979 4.810 -8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.713 4.062 -9.049 1.00 0.00 H new ATOM 52 N SER A 5 6.170 3.087 -6.759 1.00 0.00 N ATOM 53 CA SER A 5 5.761 2.236 -5.676 1.00 0.00 C ATOM 54 C SER A 5 5.070 1.005 -6.244 1.00 0.00 C ATOM 55 O SER A 5 4.102 1.119 -7.006 1.00 0.00 O ATOM 56 CB SER A 5 4.828 3.004 -4.746 1.00 0.00 C ATOM 57 OG SER A 5 5.459 4.183 -4.268 1.00 0.00 O ATOM 0 H SER A 5 5.495 3.809 -7.009 1.00 0.00 H new ATOM 0 HA SER A 5 6.630 1.917 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.911 3.265 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.542 2.372 -3.906 1.00 0.00 H new ATOM 0 HG SER A 5 4.846 4.664 -3.674 1.00 0.00 H new ATOM 63 N MET A 6 5.562 -0.163 -5.889 1.00 0.00 N ATOM 64 CA MET A 6 5.025 -1.396 -6.429 1.00 0.00 C ATOM 65 C MET A 6 4.618 -2.357 -5.333 1.00 0.00 C ATOM 66 O MET A 6 5.398 -2.648 -4.426 1.00 0.00 O ATOM 67 CB MET A 6 6.056 -2.075 -7.333 1.00 0.00 C ATOM 68 CG MET A 6 6.406 -1.294 -8.585 1.00 0.00 C ATOM 69 SD MET A 6 7.490 -2.220 -9.695 1.00 0.00 S ATOM 70 CE MET A 6 9.007 -2.251 -8.739 1.00 0.00 C ATOM 0 H MET A 6 6.331 -0.286 -5.230 1.00 0.00 H new ATOM 0 HA MET A 6 4.139 -1.135 -7.007 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.967 -2.245 -6.760 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.676 -3.054 -7.625 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.490 -1.030 -9.113 1.00 0.00 H new ATOM 0 HG3 MET A 6 6.892 -0.360 -8.303 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.827 -2.596 -9.369 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.227 -1.248 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.890 -2.928 -7.893 1.00 0.00 H new ATOM 80 N VAL A 7 3.399 -2.848 -5.427 1.00 0.00 N ATOM 81 CA VAL A 7 2.889 -3.854 -4.512 1.00 0.00 C ATOM 82 C VAL A 7 2.085 -4.892 -5.279 1.00 0.00 C ATOM 83 O VAL A 7 1.297 -4.548 -6.165 1.00 0.00 O ATOM 84 CB VAL A 7 2.008 -3.245 -3.379 1.00 0.00 C ATOM 85 CG1 VAL A 7 2.862 -2.488 -2.378 1.00 0.00 C ATOM 86 CG2 VAL A 7 0.943 -2.324 -3.959 1.00 0.00 C ATOM 0 H VAL A 7 2.730 -2.561 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 7 3.753 -4.320 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 7 1.514 -4.068 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.225 -2.072 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.587 -3.168 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.388 -1.680 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.340 -1.910 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.423 -1.512 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.303 -2.889 -4.636 1.00 0.00 H new ATOM 96 N LYS A 8 2.305 -6.152 -4.959 1.00 0.00 N ATOM 97 CA LYS A 8 1.593 -7.264 -5.582 1.00 0.00 C ATOM 98 C LYS A 8 0.130 -7.297 -5.158 1.00 0.00 C ATOM 99 O LYS A 8 -0.283 -6.563 -4.252 1.00 0.00 O ATOM 100 CB LYS A 8 2.261 -8.594 -5.208 1.00 0.00 C ATOM 101 CG LYS A 8 3.728 -8.704 -5.609 1.00 0.00 C ATOM 102 CD LYS A 8 3.906 -8.660 -7.118 1.00 0.00 C ATOM 103 CE LYS A 8 5.359 -8.883 -7.514 1.00 0.00 C ATOM 104 NZ LYS A 8 6.250 -7.816 -6.994 1.00 0.00 N ATOM 0 H LYS A 8 2.985 -6.441 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 8 1.635 -7.120 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.181 -8.735 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.708 -9.408 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.291 -7.890 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.142 -9.635 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.280 -9.422 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.568 -7.696 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.693 -9.849 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.436 -8.921 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.202 -7.931 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.871 -6.886 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.303 -7.882 -5.957 1.00 0.00 H new ATOM 118 N GLU A 9 -0.651 -8.140 -5.848 1.00 0.00 N ATOM 119 CA GLU A 9 -2.061 -8.343 -5.516 1.00 0.00 C ATOM 120 C GLU A 9 -2.166 -8.669 -4.022 1.00 0.00 C ATOM 121 O GLU A 9 -1.218 -9.187 -3.450 1.00 0.00 O ATOM 122 CB GLU A 9 -2.682 -9.447 -6.384 1.00 0.00 C ATOM 123 CG GLU A 9 -4.192 -9.579 -6.222 1.00 0.00 C ATOM 124 CD GLU A 9 -4.803 -10.560 -7.194 1.00 0.00 C ATOM 125 OE1 GLU A 9 -5.576 -10.127 -8.068 1.00 0.00 O ATOM 126 OE2 GLU A 9 -4.507 -11.768 -7.097 1.00 0.00 O ATOM 0 H GLU A 9 -0.325 -8.692 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.624 -7.434 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.454 -9.245 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.214 -10.399 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.417 -9.896 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.654 -8.602 -6.361 1.00 0.00 H new ATOM 133 N THR A 10 -3.320 -8.361 -3.418 1.00 0.00 N ATOM 134 CA THR A 10 -3.516 -8.369 -1.959 1.00 0.00 C ATOM 135 C THR A 10 -2.735 -7.198 -1.378 1.00 0.00 C ATOM 136 O THR A 10 -2.072 -7.286 -0.340 1.00 0.00 O ATOM 137 CB THR A 10 -3.197 -9.743 -1.240 1.00 0.00 C ATOM 138 OG1 THR A 10 -1.808 -10.069 -1.270 1.00 0.00 O ATOM 139 CG2 THR A 10 -3.996 -10.871 -1.880 1.00 0.00 C ATOM 0 H THR A 10 -4.158 -8.095 -3.935 1.00 0.00 H new ATOM 0 HA THR A 10 -4.582 -8.252 -1.764 1.00 0.00 H new ATOM 0 HB THR A 10 -3.486 -9.625 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.518 -10.178 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.767 -11.810 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.061 -10.660 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.732 -10.951 -2.934 1.00 0.00 H new ATOM 147 N LYS A 11 -2.901 -6.072 -2.082 1.00 0.00 N ATOM 148 CA LYS A 11 -2.193 -4.825 -1.826 1.00 0.00 C ATOM 149 C LYS A 11 -2.429 -4.314 -0.425 1.00 0.00 C ATOM 150 O LYS A 11 -1.507 -3.848 0.216 1.00 0.00 O ATOM 151 CB LYS A 11 -2.648 -3.748 -2.816 1.00 0.00 C ATOM 152 CG LYS A 11 -2.244 -4.004 -4.257 1.00 0.00 C ATOM 153 CD LYS A 11 -2.595 -2.819 -5.154 1.00 0.00 C ATOM 154 CE LYS A 11 -4.103 -2.604 -5.268 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.782 -3.748 -5.926 1.00 0.00 N ATOM 0 H LYS A 11 -3.551 -6.008 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.130 -5.035 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.734 -3.663 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.238 -2.788 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.172 -4.195 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.745 -4.900 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.131 -1.916 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.177 -2.982 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.524 -2.457 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.297 -1.693 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.763 -3.487 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.279 -3.992 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.780 -4.568 -5.286 1.00 0.00 H new ATOM 169 N PHE A 12 -3.643 -4.424 0.065 1.00 0.00 N ATOM 170 CA PHE A 12 -3.940 -3.917 1.386 1.00 0.00 C ATOM 171 C PHE A 12 -3.268 -4.740 2.471 1.00 0.00 C ATOM 172 O PHE A 12 -2.860 -4.198 3.499 1.00 0.00 O ATOM 173 CB PHE A 12 -5.439 -3.758 1.634 1.00 0.00 C ATOM 174 CG PHE A 12 -6.010 -2.493 1.041 1.00 0.00 C ATOM 175 CD1 PHE A 12 -7.142 -2.522 0.251 1.00 0.00 C ATOM 176 CD2 PHE A 12 -5.406 -1.269 1.290 1.00 0.00 C ATOM 177 CE1 PHE A 12 -7.666 -1.354 -0.276 1.00 0.00 C ATOM 178 CE2 PHE A 12 -5.920 -0.104 0.766 1.00 0.00 C ATOM 179 CZ PHE A 12 -7.051 -0.144 -0.014 1.00 0.00 C ATOM 0 H PHE A 12 -4.430 -4.853 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.516 -2.914 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.963 -4.617 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.626 -3.764 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.624 -3.466 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.519 -1.229 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.553 -1.388 -0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.435 0.840 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.459 0.769 -0.422 1.00 0.00 H new ATOM 189 N TYR A 13 -3.130 -6.048 2.243 1.00 0.00 N ATOM 190 CA TYR A 13 -2.444 -6.884 3.208 1.00 0.00 C ATOM 191 C TYR A 13 -0.962 -6.512 3.218 1.00 0.00 C ATOM 192 O TYR A 13 -0.359 -6.326 4.270 1.00 0.00 O ATOM 193 CB TYR A 13 -2.597 -8.372 2.870 1.00 0.00 C ATOM 194 CG TYR A 13 -4.007 -8.924 2.985 1.00 0.00 C ATOM 195 CD1 TYR A 13 -4.841 -8.992 1.880 1.00 0.00 C ATOM 196 CD2 TYR A 13 -4.487 -9.409 4.195 1.00 0.00 C ATOM 197 CE1 TYR A 13 -6.111 -9.527 1.976 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.759 -9.939 4.300 1.00 0.00 C ATOM 199 CZ TYR A 13 -6.565 -9.998 3.186 1.00 0.00 C ATOM 200 OH TYR A 13 -7.829 -10.539 3.279 1.00 0.00 O ATOM 0 H TYR A 13 -3.478 -6.535 1.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.887 -6.717 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.243 -8.534 1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.945 -8.946 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.492 -8.620 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.855 -9.371 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.746 -9.575 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.118 -10.305 5.251 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.347 -10.299 2.482 1.00 0.00 H new ATOM 210 N ASP A 14 -0.399 -6.377 2.020 1.00 0.00 N ATOM 211 CA ASP A 14 1.006 -5.992 1.849 1.00 0.00 C ATOM 212 C ASP A 14 1.308 -4.614 2.396 1.00 0.00 C ATOM 213 O ASP A 14 2.350 -4.405 3.011 1.00 0.00 O ATOM 214 CB ASP A 14 1.412 -6.066 0.385 1.00 0.00 C ATOM 215 CG ASP A 14 1.963 -7.422 0.009 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.063 -7.480 -0.579 1.00 0.00 O ATOM 217 OD2 ASP A 14 1.318 -8.441 0.320 1.00 0.00 O ATOM 0 H ASP A 14 -0.897 -6.530 1.143 1.00 0.00 H new ATOM 0 HA ASP A 14 1.592 -6.707 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.548 -5.841 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.162 -5.302 0.179 1.00 0.00 H new ATOM 222 N ILE A 15 0.413 -3.674 2.168 1.00 0.00 N ATOM 223 CA ILE A 15 0.590 -2.322 2.675 1.00 0.00 C ATOM 224 C ILE A 15 0.667 -2.312 4.204 1.00 0.00 C ATOM 225 O ILE A 15 1.568 -1.694 4.784 1.00 0.00 O ATOM 226 CB ILE A 15 -0.534 -1.385 2.173 1.00 0.00 C ATOM 227 CG1 ILE A 15 -0.369 -1.118 0.669 1.00 0.00 C ATOM 228 CG2 ILE A 15 -0.566 -0.079 2.961 1.00 0.00 C ATOM 229 CD1 ILE A 15 -1.545 -0.401 0.040 1.00 0.00 C ATOM 0 H ILE A 15 -0.445 -3.818 1.636 1.00 0.00 H new ATOM 0 HA ILE A 15 1.537 -1.946 2.288 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.490 -1.884 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.532 -0.525 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.218 -2.068 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.367 0.555 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.741 -0.294 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.388 0.436 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.353 -0.249 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.446 -1.002 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.684 0.565 0.525 1.00 0.00 H new ATOM 241 N LEU A 16 -0.267 -3.003 4.850 1.00 0.00 N ATOM 242 CA LEU A 16 -0.230 -3.134 6.301 1.00 0.00 C ATOM 243 C LEU A 16 0.966 -3.965 6.762 1.00 0.00 C ATOM 244 O LEU A 16 1.471 -3.777 7.870 1.00 0.00 O ATOM 245 CB LEU A 16 -1.531 -3.734 6.852 1.00 0.00 C ATOM 246 CG LEU A 16 -2.788 -2.866 6.739 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.993 -3.622 7.271 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.607 -1.558 7.495 1.00 0.00 C ATOM 0 H LEU A 16 -1.050 -3.475 4.398 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.123 -2.126 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.719 -4.674 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.377 -3.975 7.904 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.955 -2.632 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.882 -2.996 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.135 -4.534 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.829 -3.879 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.511 -0.956 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.418 -1.769 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.762 -1.010 7.078 1.00 0.00 H new ATOM 260 N GLY A 17 1.428 -4.862 5.915 1.00 0.00 N ATOM 261 CA GLY A 17 2.542 -5.706 6.284 1.00 0.00 C ATOM 262 C GLY A 17 2.069 -7.005 6.887 1.00 0.00 C ATOM 263 O GLY A 17 2.801 -7.675 7.610 1.00 0.00 O ATOM 0 H GLY A 17 1.055 -5.023 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.152 -5.912 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.178 -5.182 6.997 1.00 0.00 H new ATOM 267 N VAL A 18 0.837 -7.346 6.591 1.00 0.00 N ATOM 268 CA VAL A 18 0.226 -8.559 7.098 1.00 0.00 C ATOM 269 C VAL A 18 0.045 -9.579 5.988 1.00 0.00 C ATOM 270 O VAL A 18 -0.037 -9.221 4.810 1.00 0.00 O ATOM 271 CB VAL A 18 -1.142 -8.281 7.760 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.964 -7.418 8.976 1.00 0.00 C ATOM 273 CG2 VAL A 18 -2.104 -7.626 6.779 1.00 0.00 C ATOM 0 H VAL A 18 0.226 -6.791 5.991 1.00 0.00 H new ATOM 0 HA VAL A 18 0.902 -8.959 7.854 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.572 -9.235 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.935 -7.229 9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.318 -7.927 9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.509 -6.471 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.058 -7.442 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.685 -6.680 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.258 -8.286 5.925 1.00 0.00 H new ATOM 283 N PRO A 19 0.001 -10.868 6.342 1.00 0.00 N ATOM 284 CA PRO A 19 -0.232 -11.936 5.374 1.00 0.00 C ATOM 285 C PRO A 19 -1.657 -11.900 4.862 1.00 0.00 C ATOM 286 O PRO A 19 -2.524 -11.303 5.479 1.00 0.00 O ATOM 287 CB PRO A 19 -0.020 -13.213 6.196 1.00 0.00 C ATOM 288 CG PRO A 19 -0.316 -12.807 7.594 1.00 0.00 C ATOM 289 CD PRO A 19 0.177 -11.395 7.715 1.00 0.00 C ATOM 0 HA PRO A 19 0.419 -11.858 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.683 -14.013 5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.000 -13.584 6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.384 -12.869 7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.187 -13.460 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.400 -10.826 8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.219 -11.356 8.033 1.00 0.00 H new ATOM 297 N VAL A 20 -1.895 -12.519 3.733 1.00 0.00 N ATOM 298 CA VAL A 20 -3.242 -12.643 3.209 1.00 0.00 C ATOM 299 C VAL A 20 -4.088 -13.400 4.236 1.00 0.00 C ATOM 300 O VAL A 20 -5.262 -13.104 4.450 1.00 0.00 O ATOM 301 CB VAL A 20 -3.248 -13.412 1.870 1.00 0.00 C ATOM 302 CG1 VAL A 20 -4.668 -13.667 1.386 1.00 0.00 C ATOM 303 CG2 VAL A 20 -2.451 -12.658 0.826 1.00 0.00 C ATOM 0 H VAL A 20 -1.174 -12.948 3.153 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.650 -11.649 3.028 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.777 -14.381 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.638 -14.210 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.205 -14.258 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.180 -12.715 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.464 -13.212 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.893 -11.673 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.422 -12.545 1.166 1.00 0.00 H new ATOM 313 N THR A 21 -3.450 -14.366 4.874 1.00 0.00 N ATOM 314 CA THR A 21 -4.073 -15.203 5.884 1.00 0.00 C ATOM 315 C THR A 21 -4.085 -14.491 7.268 1.00 0.00 C ATOM 316 O THR A 21 -4.277 -15.129 8.306 1.00 0.00 O ATOM 317 CB THR A 21 -3.277 -16.517 6.012 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.804 -16.913 4.713 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.142 -17.632 6.585 1.00 0.00 C ATOM 0 H THR A 21 -2.471 -14.594 4.702 1.00 0.00 H new ATOM 0 HA THR A 21 -5.101 -15.402 5.581 1.00 0.00 H new ATOM 0 HB THR A 21 -2.440 -16.345 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.296 -17.747 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.553 -18.546 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.498 -17.344 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.995 -17.805 5.928 1.00 0.00 H new ATOM 327 N ALA A 22 -3.882 -13.173 7.266 1.00 0.00 N ATOM 328 CA ALA A 22 -3.806 -12.392 8.504 1.00 0.00 C ATOM 329 C ALA A 22 -5.102 -12.387 9.287 1.00 0.00 C ATOM 330 O ALA A 22 -6.194 -12.453 8.726 1.00 0.00 O ATOM 331 CB ALA A 22 -3.395 -10.963 8.220 1.00 0.00 C ATOM 0 H ALA A 22 -3.767 -12.620 6.417 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.050 -12.884 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.346 -10.406 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.416 -10.954 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.126 -10.499 7.559 1.00 0.00 H new ATOM 337 N THR A 23 -4.955 -12.299 10.584 1.00 0.00 N ATOM 338 CA THR A 23 -6.074 -12.212 11.501 1.00 0.00 C ATOM 339 C THR A 23 -6.269 -10.755 11.952 1.00 0.00 C ATOM 340 O THR A 23 -5.414 -9.907 11.676 1.00 0.00 O ATOM 341 CB THR A 23 -5.840 -13.113 12.727 1.00 0.00 C ATOM 342 OG1 THR A 23 -4.584 -12.773 13.339 1.00 0.00 O ATOM 343 CG2 THR A 23 -5.833 -14.581 12.324 1.00 0.00 C ATOM 0 H THR A 23 -4.045 -12.285 11.044 1.00 0.00 H new ATOM 0 HA THR A 23 -6.972 -12.553 10.986 1.00 0.00 H new ATOM 0 HB THR A 23 -6.651 -12.954 13.437 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.849 -13.058 12.757 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.666 -15.200 13.206 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.792 -14.840 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.036 -14.756 11.602 1.00 0.00 H new ATOM 351 N ASP A 24 -7.372 -10.473 12.665 1.00 0.00 N ATOM 352 CA ASP A 24 -7.685 -9.106 13.124 1.00 0.00 C ATOM 353 C ASP A 24 -6.541 -8.517 13.925 1.00 0.00 C ATOM 354 O ASP A 24 -6.223 -7.341 13.787 1.00 0.00 O ATOM 355 CB ASP A 24 -8.928 -9.104 14.024 1.00 0.00 C ATOM 356 CG ASP A 24 -10.193 -9.538 13.326 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.754 -10.591 13.709 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.648 -8.825 12.419 1.00 0.00 O ATOM 0 H ASP A 24 -8.063 -11.172 12.937 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.860 -8.509 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.750 -9.763 14.873 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.072 -8.100 14.424 1.00 0.00 H new ATOM 363 N VAL A 25 -5.913 -9.336 14.748 1.00 0.00 N ATOM 364 CA VAL A 25 -4.828 -8.878 15.608 1.00 0.00 C ATOM 365 C VAL A 25 -3.656 -8.379 14.776 1.00 0.00 C ATOM 366 O VAL A 25 -3.098 -7.312 15.044 1.00 0.00 O ATOM 367 CB VAL A 25 -4.341 -10.010 16.543 1.00 0.00 C ATOM 368 CG1 VAL A 25 -3.093 -9.595 17.316 1.00 0.00 C ATOM 369 CG2 VAL A 25 -5.445 -10.427 17.493 1.00 0.00 C ATOM 0 H VAL A 25 -6.134 -10.327 14.842 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.217 -8.060 16.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.076 -10.865 15.922 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.777 -10.413 17.963 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.293 -9.358 16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.316 -8.717 17.923 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.084 -11.224 18.143 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.745 -9.572 18.099 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.301 -10.785 16.921 1.00 0.00 H new ATOM 379 N GLU A 26 -3.321 -9.136 13.745 1.00 0.00 N ATOM 380 CA GLU A 26 -2.199 -8.809 12.881 1.00 0.00 C ATOM 381 C GLU A 26 -2.516 -7.561 12.115 1.00 0.00 C ATOM 382 O GLU A 26 -1.680 -6.676 11.954 1.00 0.00 O ATOM 383 CB GLU A 26 -1.951 -9.961 11.918 1.00 0.00 C ATOM 384 CG GLU A 26 -1.558 -11.244 12.608 1.00 0.00 C ATOM 385 CD GLU A 26 -1.437 -12.395 11.651 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.388 -12.524 11.007 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.407 -13.183 11.540 1.00 0.00 O ATOM 0 H GLU A 26 -3.815 -9.989 13.484 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.303 -8.646 13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.853 -10.134 11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.165 -9.677 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.607 -11.101 13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.299 -11.485 13.370 1.00 0.00 H new ATOM 394 N ILE A 27 -3.743 -7.494 11.686 1.00 0.00 N ATOM 395 CA ILE A 27 -4.251 -6.389 10.931 1.00 0.00 C ATOM 396 C ILE A 27 -4.216 -5.100 11.748 1.00 0.00 C ATOM 397 O ILE A 27 -3.764 -4.060 11.265 1.00 0.00 O ATOM 398 CB ILE A 27 -5.687 -6.701 10.460 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.644 -7.814 9.404 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.368 -5.452 9.909 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.995 -8.391 9.060 1.00 0.00 C ATOM 0 H ILE A 27 -4.434 -8.225 11.857 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.614 -6.240 10.059 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.274 -7.040 11.313 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.187 -7.421 8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.999 -8.616 9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.378 -5.702 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.414 -4.690 10.687 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.798 -5.071 9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.877 -9.170 8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.447 -8.817 9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.638 -7.603 8.668 1.00 0.00 H new ATOM 413 N LYS A 28 -4.678 -5.175 12.987 1.00 0.00 N ATOM 414 CA LYS A 28 -4.716 -4.008 13.840 1.00 0.00 C ATOM 415 C LYS A 28 -3.340 -3.502 14.178 1.00 0.00 C ATOM 416 O LYS A 28 -3.092 -2.317 14.096 1.00 0.00 O ATOM 417 CB LYS A 28 -5.450 -4.295 15.122 1.00 0.00 C ATOM 418 CG LYS A 28 -6.917 -4.549 14.951 1.00 0.00 C ATOM 419 CD LYS A 28 -7.544 -4.786 16.281 1.00 0.00 C ATOM 420 CE LYS A 28 -9.035 -5.054 16.152 1.00 0.00 C ATOM 421 NZ LYS A 28 -9.670 -5.308 17.467 1.00 0.00 N ATOM 0 H LYS A 28 -5.029 -6.030 13.418 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.243 -3.239 13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.996 -5.163 15.600 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.316 -3.452 15.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.389 -3.696 14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.073 -5.413 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.061 -5.634 16.767 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.383 -3.918 16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.517 -4.200 15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.194 -5.914 15.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.686 -5.486 17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.229 -6.138 17.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.542 -4.478 18.081 1.00 0.00 H new ATOM 435 N LYS A 29 -2.436 -4.402 14.537 1.00 0.00 N ATOM 436 CA LYS A 29 -1.095 -3.984 14.902 1.00 0.00 C ATOM 437 C LYS A 29 -0.356 -3.429 13.707 1.00 0.00 C ATOM 438 O LYS A 29 0.465 -2.530 13.833 1.00 0.00 O ATOM 439 CB LYS A 29 -0.316 -5.103 15.610 1.00 0.00 C ATOM 440 CG LYS A 29 -0.133 -6.381 14.811 1.00 0.00 C ATOM 441 CD LYS A 29 0.653 -7.403 15.630 1.00 0.00 C ATOM 442 CE LYS A 29 0.858 -8.716 14.890 1.00 0.00 C ATOM 443 NZ LYS A 29 1.631 -9.687 15.698 1.00 0.00 N ATOM 0 H LYS A 29 -2.603 -5.407 14.582 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.185 -3.175 15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.668 -4.721 15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.830 -5.347 16.540 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.105 -6.792 14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.394 -6.166 13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.624 -6.983 15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.126 -7.596 16.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.111 -9.145 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.380 -8.527 13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.750 -10.569 15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.565 -9.288 15.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.121 -9.887 16.582 1.00 0.00 H new ATOM 457 N ALA A 30 -0.659 -3.966 12.552 1.00 0.00 N ATOM 458 CA ALA A 30 -0.121 -3.470 11.311 1.00 0.00 C ATOM 459 C ALA A 30 -0.624 -2.073 11.047 1.00 0.00 C ATOM 460 O ALA A 30 0.123 -1.210 10.607 1.00 0.00 O ATOM 461 CB ALA A 30 -0.489 -4.383 10.179 1.00 0.00 C ATOM 0 H ALA A 30 -1.288 -4.762 12.446 1.00 0.00 H new ATOM 0 HA ALA A 30 0.966 -3.440 11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.075 -3.994 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.085 -5.378 10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.574 -4.441 10.097 1.00 0.00 H new ATOM 467 N TYR A 31 -1.906 -1.859 11.317 1.00 0.00 N ATOM 468 CA TYR A 31 -2.500 -0.546 11.196 1.00 0.00 C ATOM 469 C TYR A 31 -1.845 0.393 12.161 1.00 0.00 C ATOM 470 O TYR A 31 -1.455 1.503 11.803 1.00 0.00 O ATOM 471 CB TYR A 31 -4.000 -0.597 11.453 1.00 0.00 C ATOM 472 CG TYR A 31 -4.647 0.772 11.592 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.790 1.615 10.499 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.127 1.213 12.825 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.392 2.854 10.624 1.00 0.00 C ATOM 476 CE2 TYR A 31 -5.727 2.450 12.957 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.857 3.265 11.854 1.00 0.00 C ATOM 478 OH TYR A 31 -6.463 4.497 11.978 1.00 0.00 O ATOM 0 H TYR A 31 -2.552 -2.587 11.622 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.345 -0.189 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.481 -1.134 10.636 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.184 -1.169 12.362 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.425 1.298 9.533 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.028 0.576 13.692 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.497 3.496 9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.092 2.776 13.920 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.735 4.635 12.909 1.00 0.00 H new ATOM 488 N ARG A 32 -1.722 -0.067 13.397 1.00 0.00 N ATOM 489 CA ARG A 32 -1.117 0.720 14.444 1.00 0.00 C ATOM 490 C ARG A 32 0.302 1.098 14.084 1.00 0.00 C ATOM 491 O ARG A 32 0.691 2.244 14.237 1.00 0.00 O ATOM 492 CB ARG A 32 -1.109 -0.089 15.728 1.00 0.00 C ATOM 493 CG ARG A 32 -2.490 -0.427 16.217 1.00 0.00 C ATOM 494 CD ARG A 32 -3.232 0.816 16.644 1.00 0.00 C ATOM 495 NE ARG A 32 -4.584 0.520 17.110 1.00 0.00 N ATOM 496 CZ ARG A 32 -5.523 1.443 17.344 1.00 0.00 C ATOM 497 NH1 ARG A 32 -5.251 2.733 17.186 1.00 0.00 N ATOM 498 NH2 ARG A 32 -6.732 1.073 17.742 1.00 0.00 N ATOM 0 H ARG A 32 -2.038 -0.990 13.694 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.696 1.634 14.574 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.551 -1.011 15.567 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.583 0.471 16.501 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.045 -0.933 15.427 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.423 -1.121 17.055 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.676 1.313 17.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.283 1.512 15.807 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.829 -0.458 17.268 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.321 3.025 16.884 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.972 3.432 17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.946 0.084 17.870 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.448 1.777 17.920 1.00 0.00 H new ATOM 512 N LYS A 33 1.059 0.154 13.564 1.00 0.00 N ATOM 513 CA LYS A 33 2.430 0.438 13.206 1.00 0.00 C ATOM 514 C LYS A 33 2.483 1.341 11.986 1.00 0.00 C ATOM 515 O LYS A 33 3.210 2.302 11.974 1.00 0.00 O ATOM 516 CB LYS A 33 3.237 -0.858 12.977 1.00 0.00 C ATOM 517 CG LYS A 33 3.051 -1.493 11.605 1.00 0.00 C ATOM 518 CD LYS A 33 3.847 -2.783 11.448 1.00 0.00 C ATOM 519 CE LYS A 33 3.655 -3.379 10.055 1.00 0.00 C ATOM 520 NZ LYS A 33 4.424 -4.637 9.867 1.00 0.00 N ATOM 0 H LYS A 33 0.753 -0.802 13.383 1.00 0.00 H new ATOM 0 HA LYS A 33 2.894 0.962 14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.295 -0.640 13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.955 -1.584 13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.993 -1.700 11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.357 -0.785 10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.905 -2.585 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.531 -3.504 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.596 -3.576 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.965 -2.651 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.262 -5.003 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.438 -4.447 9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.111 -5.343 10.564 1.00 0.00 H new ATOM 534 N CYS A 34 1.668 1.058 10.984 1.00 0.00 N ATOM 535 CA CYS A 34 1.691 1.863 9.769 1.00 0.00 C ATOM 536 C CYS A 34 1.289 3.308 10.050 1.00 0.00 C ATOM 537 O CYS A 34 1.946 4.245 9.585 1.00 0.00 O ATOM 538 CB CYS A 34 0.787 1.256 8.700 1.00 0.00 C ATOM 539 SG CYS A 34 1.401 -0.303 8.024 1.00 0.00 S ATOM 0 H CYS A 34 0.994 0.293 10.983 1.00 0.00 H new ATOM 0 HA CYS A 34 2.715 1.867 9.396 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.203 1.092 9.125 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.670 1.973 7.887 1.00 0.00 H new ATOM 0 HG CYS A 34 1.108 -1.274 8.837 1.00 0.00 H new ATOM 545 N ALA A 35 0.228 3.485 10.826 1.00 0.00 N ATOM 546 CA ALA A 35 -0.238 4.812 11.169 1.00 0.00 C ATOM 547 C ALA A 35 0.753 5.531 12.080 1.00 0.00 C ATOM 548 O ALA A 35 1.126 6.645 11.821 1.00 0.00 O ATOM 549 CB ALA A 35 -1.606 4.738 11.826 1.00 0.00 C ATOM 0 H ALA A 35 -0.322 2.725 11.227 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.321 5.387 10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.943 5.743 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.316 4.279 11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.542 4.138 12.734 1.00 0.00 H new ATOM 555 N LEU A 36 1.203 4.859 13.124 1.00 0.00 N ATOM 556 CA LEU A 36 2.145 5.464 14.060 1.00 0.00 C ATOM 557 C LEU A 36 3.454 5.817 13.380 1.00 0.00 C ATOM 558 O LEU A 36 4.032 6.869 13.634 1.00 0.00 O ATOM 559 CB LEU A 36 2.402 4.548 15.256 1.00 0.00 C ATOM 560 CG LEU A 36 1.237 4.380 16.238 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.555 3.297 17.258 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.936 5.695 16.938 1.00 0.00 C ATOM 0 H LEU A 36 0.936 3.900 13.348 1.00 0.00 H new ATOM 0 HA LEU A 36 1.690 6.386 14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.679 3.563 14.881 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.261 4.933 15.805 1.00 0.00 H new ATOM 0 HG LEU A 36 0.353 4.079 15.676 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.718 3.190 17.948 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.724 2.351 16.744 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.451 3.573 17.814 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.106 5.557 17.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.817 6.024 17.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.668 6.448 16.197 1.00 0.00 H new ATOM 574 N LYS A 37 3.912 4.942 12.518 1.00 0.00 N ATOM 575 CA LYS A 37 5.163 5.151 11.819 1.00 0.00 C ATOM 576 C LYS A 37 5.098 6.281 10.771 1.00 0.00 C ATOM 577 O LYS A 37 6.052 7.038 10.634 1.00 0.00 O ATOM 578 CB LYS A 37 5.618 3.848 11.157 1.00 0.00 C ATOM 579 CG LYS A 37 6.040 2.770 12.147 1.00 0.00 C ATOM 580 CD LYS A 37 6.296 1.444 11.458 1.00 0.00 C ATOM 581 CE LYS A 37 7.489 1.527 10.516 1.00 0.00 C ATOM 582 NZ LYS A 37 7.793 0.220 9.882 1.00 0.00 N ATOM 0 H LYS A 37 3.436 4.072 12.281 1.00 0.00 H new ATOM 0 HA LYS A 37 5.889 5.465 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.807 3.463 10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.453 4.063 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.942 3.089 12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.263 2.644 12.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.475 0.672 12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.409 1.146 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.288 2.267 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.363 1.873 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.612 0.323 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.011 -0.481 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.969 -0.100 9.333 1.00 0.00 H new ATOM 596 N TYR A 38 3.987 6.378 10.018 1.00 0.00 N ATOM 597 CA TYR A 38 3.913 7.352 8.910 1.00 0.00 C ATOM 598 C TYR A 38 2.750 8.370 9.002 1.00 0.00 C ATOM 599 O TYR A 38 2.453 9.038 8.026 1.00 0.00 O ATOM 600 CB TYR A 38 3.833 6.580 7.591 1.00 0.00 C ATOM 601 CG TYR A 38 5.034 5.693 7.344 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.036 4.367 7.761 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.165 6.179 6.702 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.128 3.552 7.546 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.263 5.368 6.482 1.00 0.00 C ATOM 606 CZ TYR A 38 7.239 4.055 6.907 1.00 0.00 C ATOM 607 OH TYR A 38 8.327 3.241 6.690 1.00 0.00 O ATOM 0 H TYR A 38 3.149 5.812 10.149 1.00 0.00 H new ATOM 0 HA TYR A 38 4.816 7.959 8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.931 5.968 7.590 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.738 7.289 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.167 3.968 8.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.187 7.206 6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.112 2.524 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.135 5.760 5.980 1.00 0.00 H new ATOM 0 HH TYR A 38 9.027 3.747 6.227 1.00 0.00 H new ATOM 617 N HIS A 39 2.113 8.499 10.146 1.00 0.00 N ATOM 618 CA HIS A 39 1.000 9.468 10.278 1.00 0.00 C ATOM 619 C HIS A 39 1.472 10.914 10.041 1.00 0.00 C ATOM 620 O HIS A 39 2.491 11.333 10.572 1.00 0.00 O ATOM 621 CB HIS A 39 0.308 9.344 11.653 1.00 0.00 C ATOM 622 CG HIS A 39 1.217 9.522 12.843 1.00 0.00 C ATOM 623 ND1 HIS A 39 2.570 9.497 12.948 1.00 0.00 N flip ATOM 624 CD2 HIS A 39 0.746 9.705 14.119 1.00 0.00 C flip ATOM 625 CE1 HIS A 39 2.881 9.656 14.269 1.00 0.00 C flip ATOM 626 NE2 HIS A 39 1.765 9.784 14.954 1.00 0.00 N flip ATOM 0 H HIS A 39 2.325 7.968 10.991 1.00 0.00 H new ATOM 0 HA HIS A 39 0.272 9.223 9.505 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.489 10.085 11.710 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.163 8.363 11.718 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.233 9.381 12.182 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.296 9.774 14.396 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.878 9.674 14.683 1.00 0.00 H new ATOM 634 N PRO A 40 0.687 11.705 9.283 1.00 0.00 N ATOM 635 CA PRO A 40 1.050 13.093 8.907 1.00 0.00 C ATOM 636 C PRO A 40 1.181 14.030 10.106 1.00 0.00 C ATOM 637 O PRO A 40 1.837 15.068 10.025 1.00 0.00 O ATOM 638 CB PRO A 40 -0.114 13.537 8.010 1.00 0.00 C ATOM 639 CG PRO A 40 -1.240 12.632 8.375 1.00 0.00 C ATOM 640 CD PRO A 40 -0.613 11.314 8.713 1.00 0.00 C ATOM 0 HA PRO A 40 2.026 13.128 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.373 14.581 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.142 13.445 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.800 13.027 9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.943 12.530 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.215 10.752 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.495 10.685 7.831 1.00 0.00 H new ATOM 648 N ASP A 41 0.570 13.651 11.217 1.00 0.00 N ATOM 649 CA ASP A 41 0.609 14.464 12.432 1.00 0.00 C ATOM 650 C ASP A 41 2.017 14.560 13.007 1.00 0.00 C ATOM 651 O ASP A 41 2.328 15.491 13.745 1.00 0.00 O ATOM 652 CB ASP A 41 -0.356 13.926 13.482 1.00 0.00 C ATOM 653 CG ASP A 41 -1.799 14.076 13.067 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.227 15.210 12.774 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.516 13.063 13.032 1.00 0.00 O ATOM 0 H ASP A 41 0.039 12.785 11.307 1.00 0.00 H new ATOM 0 HA ASP A 41 0.295 15.470 12.152 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.141 12.873 13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.195 14.452 14.423 1.00 0.00 H new ATOM 660 N LYS A 42 2.871 13.608 12.657 1.00 0.00 N ATOM 661 CA LYS A 42 4.245 13.604 13.141 1.00 0.00 C ATOM 662 C LYS A 42 5.221 13.415 11.983 1.00 0.00 C ATOM 663 O LYS A 42 6.378 13.834 12.056 1.00 0.00 O ATOM 664 CB LYS A 42 4.465 12.545 14.226 1.00 0.00 C ATOM 665 CG LYS A 42 3.744 12.847 15.531 1.00 0.00 C ATOM 666 CD LYS A 42 4.057 11.802 16.588 1.00 0.00 C ATOM 667 CE LYS A 42 3.359 12.105 17.903 1.00 0.00 C ATOM 668 NZ LYS A 42 3.671 11.090 18.940 1.00 0.00 N ATOM 0 H LYS A 42 2.637 12.830 12.041 1.00 0.00 H new ATOM 0 HA LYS A 42 4.436 14.575 13.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.129 11.578 13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.533 12.457 14.424 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.038 13.832 15.892 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.669 12.880 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.749 10.819 16.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.134 11.759 16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.662 13.091 18.256 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.281 12.141 17.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.176 11.332 19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.359 10.153 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.697 11.073 19.112 1.00 0.00 H new ATOM 682 N ASN A 43 4.740 12.791 10.920 1.00 0.00 N ATOM 683 CA ASN A 43 5.516 12.574 9.714 1.00 0.00 C ATOM 684 C ASN A 43 5.035 13.533 8.634 1.00 0.00 C ATOM 685 O ASN A 43 3.957 13.356 8.073 1.00 0.00 O ATOM 686 CB ASN A 43 5.356 11.128 9.247 1.00 0.00 C ATOM 687 CG ASN A 43 5.867 10.136 10.265 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.145 9.734 11.178 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.114 9.733 10.118 1.00 0.00 N ATOM 0 H ASN A 43 3.792 12.418 10.871 1.00 0.00 H new ATOM 0 HA ASN A 43 6.571 12.758 9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.304 10.928 9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.892 10.990 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.514 9.063 10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.678 10.091 9.347 1.00 0.00 H new ATOM 696 N PRO A 44 5.829 14.569 8.341 1.00 0.00 N ATOM 697 CA PRO A 44 5.448 15.623 7.391 1.00 0.00 C ATOM 698 C PRO A 44 5.448 15.174 5.929 1.00 0.00 C ATOM 699 O PRO A 44 4.863 15.841 5.074 1.00 0.00 O ATOM 700 CB PRO A 44 6.507 16.700 7.620 1.00 0.00 C ATOM 701 CG PRO A 44 7.700 15.950 8.095 1.00 0.00 C ATOM 702 CD PRO A 44 7.171 14.805 8.914 1.00 0.00 C ATOM 0 HA PRO A 44 4.423 15.952 7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.721 17.248 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.177 17.431 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.293 15.588 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.350 16.589 8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.805 13.923 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.118 15.059 9.973 1.00 0.00 H new ATOM 710 N SER A 45 6.094 14.055 5.641 1.00 0.00 N ATOM 711 CA SER A 45 6.196 13.576 4.280 1.00 0.00 C ATOM 712 C SER A 45 4.838 13.185 3.751 1.00 0.00 C ATOM 713 O SER A 45 4.048 12.520 4.431 1.00 0.00 O ATOM 714 CB SER A 45 7.120 12.395 4.215 1.00 0.00 C ATOM 715 OG SER A 45 8.228 12.572 5.097 1.00 0.00 O ATOM 0 H SER A 45 6.554 13.465 6.334 1.00 0.00 H new ATOM 0 HA SER A 45 6.596 14.381 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.578 11.488 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.479 12.263 3.194 1.00 0.00 H new ATOM 0 HG SER A 45 8.818 11.791 5.042 1.00 0.00 H new ATOM 721 N GLU A 46 4.579 13.606 2.551 1.00 0.00 N ATOM 722 CA GLU A 46 3.328 13.343 1.895 1.00 0.00 C ATOM 723 C GLU A 46 3.133 11.860 1.684 1.00 0.00 C ATOM 724 O GLU A 46 2.043 11.349 1.858 1.00 0.00 O ATOM 725 CB GLU A 46 3.232 14.093 0.575 1.00 0.00 C ATOM 726 CG GLU A 46 1.914 13.877 -0.120 1.00 0.00 C ATOM 727 CD GLU A 46 1.786 14.653 -1.400 1.00 0.00 C ATOM 728 OE1 GLU A 46 1.784 14.027 -2.482 1.00 0.00 O ATOM 729 OE2 GLU A 46 1.673 15.891 -1.338 1.00 0.00 O ATOM 0 H GLU A 46 5.236 14.149 1.990 1.00 0.00 H new ATOM 0 HA GLU A 46 2.529 13.703 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.373 15.159 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.041 13.772 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.793 12.815 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.105 14.162 0.553 1.00 0.00 H new ATOM 736 N GLU A 47 4.209 11.173 1.331 1.00 0.00 N ATOM 737 CA GLU A 47 4.169 9.734 1.108 1.00 0.00 C ATOM 738 C GLU A 47 3.731 9.031 2.367 1.00 0.00 C ATOM 739 O GLU A 47 2.977 8.065 2.326 1.00 0.00 O ATOM 740 CB GLU A 47 5.545 9.234 0.758 1.00 0.00 C ATOM 741 CG GLU A 47 6.073 9.702 -0.577 1.00 0.00 C ATOM 742 CD GLU A 47 7.451 9.162 -0.842 1.00 0.00 C ATOM 743 OE1 GLU A 47 7.630 8.438 -1.837 1.00 0.00 O ATOM 744 OE2 GLU A 47 8.364 9.437 -0.041 1.00 0.00 O ATOM 0 H GLU A 47 5.128 11.592 1.192 1.00 0.00 H new ATOM 0 HA GLU A 47 3.470 9.531 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.239 9.549 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.532 8.144 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.397 9.382 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.097 10.792 -0.599 1.00 0.00 H new ATOM 751 N ALA A 48 4.219 9.523 3.485 1.00 0.00 N ATOM 752 CA ALA A 48 3.874 8.962 4.773 1.00 0.00 C ATOM 753 C ALA A 48 2.393 9.098 4.989 1.00 0.00 C ATOM 754 O ALA A 48 1.713 8.171 5.434 1.00 0.00 O ATOM 755 CB ALA A 48 4.653 9.661 5.876 1.00 0.00 C ATOM 0 H ALA A 48 4.860 10.315 3.528 1.00 0.00 H new ATOM 0 HA ALA A 48 4.138 7.905 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.385 9.230 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.722 9.531 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.412 10.724 5.874 1.00 0.00 H new ATOM 761 N ALA A 49 1.906 10.246 4.632 1.00 0.00 N ATOM 762 CA ALA A 49 0.491 10.558 4.715 1.00 0.00 C ATOM 763 C ALA A 49 -0.313 9.653 3.785 1.00 0.00 C ATOM 764 O ALA A 49 -1.417 9.209 4.129 1.00 0.00 O ATOM 765 CB ALA A 49 0.246 12.024 4.389 1.00 0.00 C ATOM 0 H ALA A 49 2.477 11.009 4.269 1.00 0.00 H new ATOM 0 HA ALA A 49 0.158 10.377 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.821 12.238 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.788 12.650 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.595 12.235 3.378 1.00 0.00 H new ATOM 771 N GLU A 50 0.247 9.394 2.600 1.00 0.00 N ATOM 772 CA GLU A 50 -0.385 8.522 1.615 1.00 0.00 C ATOM 773 C GLU A 50 -0.527 7.133 2.206 1.00 0.00 C ATOM 774 O GLU A 50 -1.578 6.497 2.107 1.00 0.00 O ATOM 775 CB GLU A 50 0.494 8.425 0.357 1.00 0.00 C ATOM 776 CG GLU A 50 0.774 9.754 -0.315 1.00 0.00 C ATOM 777 CD GLU A 50 1.438 9.595 -1.672 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.749 9.185 -2.631 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.647 9.891 -1.794 1.00 0.00 O ATOM 0 H GLU A 50 1.143 9.780 2.301 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.360 8.931 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.443 7.961 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.008 7.764 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.161 10.301 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.414 10.355 0.330 1.00 0.00 H new ATOM 786 N LYS A 51 0.540 6.699 2.854 1.00 0.00 N ATOM 787 CA LYS A 51 0.595 5.400 3.507 1.00 0.00 C ATOM 788 C LYS A 51 -0.418 5.314 4.632 1.00 0.00 C ATOM 789 O LYS A 51 -1.053 4.286 4.828 1.00 0.00 O ATOM 790 CB LYS A 51 1.985 5.164 4.058 1.00 0.00 C ATOM 791 CG LYS A 51 3.040 4.963 2.992 1.00 0.00 C ATOM 792 CD LYS A 51 4.417 4.861 3.604 1.00 0.00 C ATOM 793 CE LYS A 51 4.521 3.658 4.537 1.00 0.00 C ATOM 794 NZ LYS A 51 4.294 2.363 3.825 1.00 0.00 N ATOM 0 H LYS A 51 1.399 7.241 2.943 1.00 0.00 H new ATOM 0 HA LYS A 51 0.356 4.635 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.268 6.013 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.965 4.287 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.822 4.057 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.012 5.794 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.163 4.777 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.640 5.773 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.507 3.646 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.791 3.761 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.572 1.574 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.287 2.273 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.865 2.340 2.956 1.00 0.00 H new ATOM 808 N PHE A 52 -0.550 6.401 5.373 1.00 0.00 N ATOM 809 CA PHE A 52 -1.517 6.484 6.446 1.00 0.00 C ATOM 810 C PHE A 52 -2.925 6.253 5.904 1.00 0.00 C ATOM 811 O PHE A 52 -3.696 5.470 6.460 1.00 0.00 O ATOM 812 CB PHE A 52 -1.420 7.842 7.149 1.00 0.00 C ATOM 813 CG PHE A 52 -2.474 8.053 8.204 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.342 7.491 9.460 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.604 8.808 7.930 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.315 7.676 10.423 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.577 8.997 8.887 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.434 8.430 10.136 1.00 0.00 C ATOM 0 H PHE A 52 0.009 7.245 5.246 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.298 5.707 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.436 7.934 7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.500 8.634 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.468 6.900 9.691 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.723 9.254 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.200 7.231 11.400 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.451 9.589 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.196 8.576 10.887 1.00 0.00 H new ATOM 828 N LYS A 53 -3.248 6.933 4.810 1.00 0.00 N ATOM 829 CA LYS A 53 -4.551 6.791 4.172 1.00 0.00 C ATOM 830 C LYS A 53 -4.770 5.356 3.686 1.00 0.00 C ATOM 831 O LYS A 53 -5.880 4.822 3.780 1.00 0.00 O ATOM 832 CB LYS A 53 -4.692 7.771 3.005 1.00 0.00 C ATOM 833 CG LYS A 53 -4.744 9.236 3.420 1.00 0.00 C ATOM 834 CD LYS A 53 -6.001 9.549 4.223 1.00 0.00 C ATOM 835 CE LYS A 53 -6.076 11.026 4.583 1.00 0.00 C ATOM 836 NZ LYS A 53 -7.296 11.348 5.362 1.00 0.00 N ATOM 0 H LYS A 53 -2.622 7.591 4.345 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.314 7.022 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.854 7.628 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.599 7.530 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.863 9.478 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.713 9.867 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.882 9.268 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.012 8.950 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.194 11.303 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.061 11.622 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.307 12.364 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.139 11.108 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.299 10.799 6.245 1.00 0.00 H new ATOM 850 N GLU A 54 -3.723 4.741 3.153 1.00 0.00 N ATOM 851 CA GLU A 54 -3.807 3.359 2.695 1.00 0.00 C ATOM 852 C GLU A 54 -4.029 2.431 3.872 1.00 0.00 C ATOM 853 O GLU A 54 -4.836 1.507 3.808 1.00 0.00 O ATOM 854 CB GLU A 54 -2.520 2.967 1.993 1.00 0.00 C ATOM 855 CG GLU A 54 -2.272 3.723 0.719 1.00 0.00 C ATOM 856 CD GLU A 54 -0.938 3.380 0.091 1.00 0.00 C ATOM 857 OE1 GLU A 54 0.095 3.496 0.779 1.00 0.00 O ATOM 858 OE2 GLU A 54 -0.915 2.999 -1.101 1.00 0.00 O ATOM 0 H GLU A 54 -2.808 5.174 3.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.644 3.274 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.682 3.131 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.548 1.900 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.070 3.505 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.310 4.793 0.922 1.00 0.00 H new ATOM 865 N ALA A 55 -3.319 2.709 4.957 1.00 0.00 N ATOM 866 CA ALA A 55 -3.398 1.909 6.158 1.00 0.00 C ATOM 867 C ALA A 55 -4.779 1.980 6.760 1.00 0.00 C ATOM 868 O ALA A 55 -5.321 0.975 7.201 1.00 0.00 O ATOM 869 CB ALA A 55 -2.356 2.362 7.169 1.00 0.00 C ATOM 0 H ALA A 55 -2.674 3.496 5.023 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.195 0.872 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.430 1.749 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.361 2.256 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.530 3.407 7.428 1.00 0.00 H new ATOM 875 N SER A 56 -5.356 3.174 6.766 1.00 0.00 N ATOM 876 CA SER A 56 -6.662 3.365 7.319 1.00 0.00 C ATOM 877 C SER A 56 -7.723 2.664 6.477 1.00 0.00 C ATOM 878 O SER A 56 -8.646 2.068 7.017 1.00 0.00 O ATOM 879 CB SER A 56 -6.962 4.857 7.482 1.00 0.00 C ATOM 880 OG SER A 56 -6.909 5.541 6.241 1.00 0.00 O ATOM 0 H SER A 56 -4.927 4.019 6.389 1.00 0.00 H new ATOM 0 HA SER A 56 -6.687 2.911 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.950 4.983 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.244 5.299 8.172 1.00 0.00 H new ATOM 0 HG SER A 56 -6.493 4.964 5.567 1.00 0.00 H new ATOM 886 N ALA A 57 -7.581 2.720 5.149 1.00 0.00 N ATOM 887 CA ALA A 57 -8.534 2.045 4.272 1.00 0.00 C ATOM 888 C ALA A 57 -8.388 0.534 4.384 1.00 0.00 C ATOM 889 O ALA A 57 -9.381 -0.210 4.406 1.00 0.00 O ATOM 890 CB ALA A 57 -8.371 2.507 2.833 1.00 0.00 C ATOM 0 H ALA A 57 -6.830 3.216 4.668 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.541 2.312 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.092 1.989 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.543 3.582 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.361 2.282 2.491 1.00 0.00 H new ATOM 896 N ALA A 58 -7.150 0.082 4.457 1.00 0.00 N ATOM 897 CA ALA A 58 -6.875 -1.316 4.639 1.00 0.00 C ATOM 898 C ALA A 58 -7.476 -1.770 5.940 1.00 0.00 C ATOM 899 O ALA A 58 -8.133 -2.778 6.002 1.00 0.00 O ATOM 900 CB ALA A 58 -5.378 -1.558 4.645 1.00 0.00 C ATOM 0 H ALA A 58 -6.321 0.672 4.392 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.313 -1.882 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.182 -2.621 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.953 -1.231 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.922 -0.996 5.460 1.00 0.00 H new ATOM 906 N TYR A 59 -7.278 -0.973 6.966 1.00 0.00 N ATOM 907 CA TYR A 59 -7.816 -1.245 8.281 1.00 0.00 C ATOM 908 C TYR A 59 -9.332 -1.288 8.267 1.00 0.00 C ATOM 909 O TYR A 59 -9.929 -2.189 8.822 1.00 0.00 O ATOM 910 CB TYR A 59 -7.332 -0.198 9.273 1.00 0.00 C ATOM 911 CG TYR A 59 -7.845 -0.376 10.687 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.276 -1.312 11.536 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.880 0.407 11.177 1.00 0.00 C ATOM 914 CE1 TYR A 59 -7.722 -1.465 12.831 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.335 0.257 12.473 1.00 0.00 C ATOM 916 CZ TYR A 59 -8.751 -0.681 13.296 1.00 0.00 C ATOM 917 OH TYR A 59 -9.199 -0.832 14.594 1.00 0.00 O ATOM 0 H TYR A 59 -6.735 -0.111 6.911 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.457 -2.227 8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.242 -0.213 9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.631 0.787 8.915 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.469 -1.933 11.176 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.337 1.146 10.535 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.265 -2.198 13.478 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.144 0.872 12.839 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.930 -0.201 14.763 1.00 0.00 H new ATOM 927 N GLU A 60 -9.957 -0.323 7.618 1.00 0.00 N ATOM 928 CA GLU A 60 -11.398 -0.237 7.655 1.00 0.00 C ATOM 929 C GLU A 60 -12.061 -1.479 7.053 1.00 0.00 C ATOM 930 O GLU A 60 -13.149 -1.858 7.465 1.00 0.00 O ATOM 931 CB GLU A 60 -11.923 1.046 7.007 1.00 0.00 C ATOM 932 CG GLU A 60 -11.735 1.120 5.523 1.00 0.00 C ATOM 933 CD GLU A 60 -12.164 2.443 4.959 1.00 0.00 C ATOM 934 OE1 GLU A 60 -11.490 3.458 5.226 1.00 0.00 O ATOM 935 OE2 GLU A 60 -13.174 2.480 4.238 1.00 0.00 O ATOM 0 H GLU A 60 -9.494 0.401 7.068 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.675 -0.197 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.986 1.141 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.424 1.899 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.686 0.949 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.305 0.323 5.047 1.00 0.00 H new ATOM 942 N ILE A 61 -11.411 -2.115 6.077 1.00 0.00 N ATOM 943 CA ILE A 61 -11.962 -3.334 5.513 1.00 0.00 C ATOM 944 C ILE A 61 -11.396 -4.574 6.187 1.00 0.00 C ATOM 945 O ILE A 61 -12.131 -5.426 6.660 1.00 0.00 O ATOM 946 CB ILE A 61 -11.792 -3.403 3.974 1.00 0.00 C ATOM 947 CG1 ILE A 61 -10.345 -3.096 3.564 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.766 -2.452 3.289 1.00 0.00 C ATOM 949 CD1 ILE A 61 -10.086 -3.226 2.082 1.00 0.00 C ATOM 0 H ILE A 61 -10.525 -1.811 5.673 1.00 0.00 H new ATOM 0 HA ILE A 61 -13.033 -3.309 5.713 1.00 0.00 H new ATOM 0 HB ILE A 61 -12.019 -4.419 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.096 -2.082 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.676 -3.769 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.634 -2.512 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.788 -2.731 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.573 -1.432 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.042 -2.993 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.301 -4.246 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.728 -2.533 1.538 1.00 0.00 H new ATOM 961 N LEU A 62 -10.087 -4.647 6.244 1.00 0.00 N ATOM 962 CA LEU A 62 -9.386 -5.795 6.792 1.00 0.00 C ATOM 963 C LEU A 62 -9.658 -6.020 8.282 1.00 0.00 C ATOM 964 O LEU A 62 -9.810 -7.158 8.715 1.00 0.00 O ATOM 965 CB LEU A 62 -7.900 -5.636 6.542 1.00 0.00 C ATOM 966 CG LEU A 62 -7.483 -5.608 5.069 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.981 -5.442 4.943 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.948 -6.855 4.340 1.00 0.00 C ATOM 0 H LEU A 62 -9.469 -3.907 5.910 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.765 -6.681 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.566 -4.712 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.376 -6.454 7.035 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.966 -4.750 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.704 -5.424 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.678 -4.507 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.480 -6.275 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.636 -6.804 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.508 -7.735 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.035 -6.922 4.391 1.00 0.00 H new ATOM 980 N SER A 63 -9.733 -4.943 9.061 1.00 0.00 N ATOM 981 CA SER A 63 -9.973 -5.062 10.503 1.00 0.00 C ATOM 982 C SER A 63 -11.363 -5.625 10.783 1.00 0.00 C ATOM 983 O SER A 63 -11.685 -5.971 11.917 1.00 0.00 O ATOM 984 CB SER A 63 -9.791 -3.720 11.207 1.00 0.00 C ATOM 985 OG SER A 63 -9.822 -3.871 12.617 1.00 0.00 O ATOM 0 H SER A 63 -9.633 -3.985 8.725 1.00 0.00 H new ATOM 0 HA SER A 63 -9.234 -5.757 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.842 -3.275 10.907 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.578 -3.033 10.895 1.00 0.00 H new ATOM 0 HG SER A 63 -9.272 -3.174 13.033 1.00 0.00 H new ATOM 991 N ASP A 64 -12.179 -5.708 9.750 1.00 0.00 N ATOM 992 CA ASP A 64 -13.497 -6.276 9.867 1.00 0.00 C ATOM 993 C ASP A 64 -13.514 -7.568 9.088 1.00 0.00 C ATOM 994 O ASP A 64 -13.452 -7.555 7.891 1.00 0.00 O ATOM 995 CB ASP A 64 -14.595 -5.314 9.383 1.00 0.00 C ATOM 996 CG ASP A 64 -14.735 -4.088 10.272 1.00 0.00 C ATOM 997 OD1 ASP A 64 -14.515 -2.960 9.786 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.083 -4.248 11.464 1.00 0.00 O ATOM 0 H ASP A 64 -11.943 -5.384 8.812 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.716 -6.465 10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.371 -4.996 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.547 -5.844 9.349 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.622 -8.693 9.781 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.492 -10.051 9.192 1.00 0.00 C ATOM 1005 C PRO A 65 -14.384 -10.274 7.991 1.00 0.00 C ATOM 1006 O PRO A 65 -14.018 -10.982 7.054 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.929 -10.954 10.333 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.617 -10.171 11.553 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.886 -8.745 11.208 1.00 0.00 C ATOM 0 HA PRO A 65 -12.483 -10.231 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.992 -11.189 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.391 -11.902 10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.235 -10.493 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.578 -10.311 11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.913 -8.462 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.237 -8.067 11.762 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.525 -9.638 8.000 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.480 -9.812 6.936 1.00 0.00 C ATOM 1019 C GLU A 66 -16.065 -9.008 5.738 1.00 0.00 C ATOM 1020 O GLU A 66 -16.251 -9.423 4.609 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.878 -9.424 7.391 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.955 -8.032 7.982 1.00 0.00 C ATOM 1023 CD GLU A 66 -19.376 -7.567 8.186 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -20.065 -7.303 7.182 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -19.809 -7.453 9.341 1.00 0.00 O ATOM 0 H GLU A 66 -15.817 -8.993 8.734 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.503 -10.866 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.559 -9.488 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.224 -10.145 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.431 -8.017 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.438 -7.333 7.324 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.445 -7.887 5.993 1.00 0.00 N ATOM 1033 CA LYS A 67 -15.014 -7.001 4.967 1.00 0.00 C ATOM 1034 C LYS A 67 -13.655 -7.423 4.484 1.00 0.00 C ATOM 1035 O LYS A 67 -13.245 -7.113 3.372 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.984 -5.590 5.531 1.00 0.00 C ATOM 1037 CG LYS A 67 -16.352 -5.083 5.969 1.00 0.00 C ATOM 1038 CD LYS A 67 -17.340 -5.086 4.808 1.00 0.00 C ATOM 1039 CE LYS A 67 -18.708 -4.578 5.234 1.00 0.00 C ATOM 1040 NZ LYS A 67 -19.688 -4.633 4.116 1.00 0.00 N ATOM 0 H LYS A 67 -15.226 -7.567 6.936 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.698 -7.028 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.305 -5.562 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.579 -4.914 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.733 -5.709 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.258 -4.073 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.955 -4.463 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.434 -6.097 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.074 -5.176 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.620 -3.552 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.609 -4.279 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.350 -4.043 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.790 -5.616 3.792 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.969 -8.141 5.338 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.684 -8.677 5.043 1.00 0.00 C ATOM 1056 C ARG A 68 -11.864 -9.760 3.999 1.00 0.00 C ATOM 1057 O ARG A 68 -11.097 -9.855 3.049 1.00 0.00 O ATOM 1058 CB ARG A 68 -11.084 -9.268 6.313 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.565 -9.305 6.328 1.00 0.00 C ATOM 1060 CD ARG A 68 -9.039 -10.701 6.608 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.268 -11.600 5.477 1.00 0.00 N ATOM 1062 CZ ARG A 68 -10.226 -12.522 5.430 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -11.059 -12.673 6.449 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -10.349 -13.292 4.365 1.00 0.00 N ATOM 0 H ARG A 68 -13.304 -8.368 6.274 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.014 -7.903 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.430 -8.688 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.462 -10.282 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.183 -8.958 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.192 -8.617 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.972 -10.652 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.526 -11.102 7.497 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.651 -11.514 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.968 -12.081 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.792 -13.381 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.710 -13.180 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.083 -13.999 4.329 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.913 -10.577 4.185 1.00 0.00 N ATOM 1079 CA ASP A 69 -13.255 -11.621 3.228 1.00 0.00 C ATOM 1080 C ASP A 69 -13.766 -11.007 1.963 1.00 0.00 C ATOM 1081 O ASP A 69 -13.477 -11.481 0.880 1.00 0.00 O ATOM 1082 CB ASP A 69 -14.262 -12.635 3.792 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.607 -13.673 4.682 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.776 -14.462 4.169 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.913 -13.721 5.893 1.00 0.00 O ATOM 0 H ASP A 69 -13.534 -10.528 4.992 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.344 -12.179 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.026 -12.105 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.768 -13.136 2.967 1.00 0.00 H new ATOM 1090 N ILE A 70 -14.518 -9.928 2.112 1.00 0.00 N ATOM 1091 CA ILE A 70 -15.025 -9.184 0.977 1.00 0.00 C ATOM 1092 C ILE A 70 -13.863 -8.647 0.142 1.00 0.00 C ATOM 1093 O ILE A 70 -13.821 -8.834 -1.085 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.926 -8.023 1.458 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -17.257 -8.551 2.004 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -16.155 -6.984 0.364 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -18.089 -9.298 0.983 1.00 0.00 C ATOM 0 H ILE A 70 -14.791 -9.548 3.018 1.00 0.00 H new ATOM 0 HA ILE A 70 -15.623 -9.851 0.356 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.399 -7.522 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.055 -9.212 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.838 -7.713 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.793 -6.187 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.198 -6.565 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -16.638 -7.457 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -19.014 -9.639 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -18.324 -8.635 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -17.529 -10.158 0.616 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.897 -8.027 0.808 1.00 0.00 N ATOM 1110 CA TYR A 71 -11.697 -7.567 0.127 1.00 0.00 C ATOM 1111 C TYR A 71 -10.979 -8.742 -0.500 1.00 0.00 C ATOM 1112 O TYR A 71 -10.533 -8.679 -1.632 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.751 -6.813 1.055 1.00 0.00 C ATOM 1114 CG TYR A 71 -9.434 -6.492 0.379 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -9.345 -5.500 -0.588 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -8.290 -7.213 0.683 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -8.150 -5.238 -1.229 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -7.095 -6.951 0.053 1.00 0.00 C ATOM 1119 CZ TYR A 71 -7.029 -5.968 -0.900 1.00 0.00 C ATOM 1120 OH TYR A 71 -5.838 -5.727 -1.542 1.00 0.00 O ATOM 0 H TYR A 71 -12.921 -7.833 1.809 1.00 0.00 H new ATOM 0 HA TYR A 71 -12.012 -6.868 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.225 -5.888 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.565 -7.411 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.223 -4.925 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.337 -7.994 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.095 -4.466 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.212 -7.518 0.309 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.674 -6.432 -2.203 1.00 0.00 H new ATOM 1130 N ASP A 72 -10.881 -9.808 0.264 1.00 0.00 N ATOM 1131 CA ASP A 72 -10.223 -11.032 -0.160 1.00 0.00 C ATOM 1132 C ASP A 72 -10.840 -11.556 -1.464 1.00 0.00 C ATOM 1133 O ASP A 72 -10.143 -12.134 -2.301 1.00 0.00 O ATOM 1134 CB ASP A 72 -10.346 -12.079 0.946 1.00 0.00 C ATOM 1135 CG ASP A 72 -9.567 -13.334 0.668 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -8.333 -13.318 0.838 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -10.187 -14.351 0.310 1.00 0.00 O ATOM 0 H ASP A 72 -11.260 -9.853 1.210 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.169 -10.825 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.001 -11.647 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.397 -12.335 1.079 1.00 0.00 H new ATOM 1142 N GLN A 73 -12.156 -11.361 -1.624 1.00 0.00 N ATOM 1143 CA GLN A 73 -12.853 -11.774 -2.827 1.00 0.00 C ATOM 1144 C GLN A 73 -12.318 -11.000 -4.014 1.00 0.00 C ATOM 1145 O GLN A 73 -12.073 -11.568 -5.084 1.00 0.00 O ATOM 1146 CB GLN A 73 -14.321 -11.452 -2.683 1.00 0.00 C ATOM 1147 CG GLN A 73 -14.980 -12.121 -1.511 1.00 0.00 C ATOM 1148 CD GLN A 73 -15.142 -13.612 -1.675 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -16.102 -14.086 -2.282 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -14.219 -14.363 -1.116 1.00 0.00 N ATOM 0 H GLN A 73 -12.752 -10.917 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.706 -12.844 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -14.438 -10.373 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.839 -11.748 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.392 -11.925 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.961 -11.673 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.439 -13.929 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.283 -15.379 -1.176 1.00 0.00 H new ATOM 1159 N PHE A 74 -12.147 -9.691 -3.821 1.00 0.00 N ATOM 1160 CA PHE A 74 -11.584 -8.832 -4.872 1.00 0.00 C ATOM 1161 C PHE A 74 -10.098 -9.120 -5.052 1.00 0.00 C ATOM 1162 O PHE A 74 -9.566 -9.080 -6.167 1.00 0.00 O ATOM 1163 CB PHE A 74 -11.748 -7.347 -4.516 1.00 0.00 C ATOM 1164 CG PHE A 74 -13.165 -6.866 -4.429 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -13.796 -6.759 -3.205 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -13.860 -6.511 -5.567 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -15.093 -6.306 -3.114 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -15.160 -6.059 -5.486 1.00 0.00 C ATOM 1169 CZ PHE A 74 -15.776 -5.956 -4.255 1.00 0.00 C ATOM 0 H PHE A 74 -12.386 -9.204 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.124 -9.047 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.259 -7.163 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.223 -6.750 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.264 -7.035 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.380 -6.588 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.572 -6.226 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -15.695 -5.786 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.794 -5.601 -4.188 1.00 0.00 H new ATOM 1179 N GLY A 75 -9.450 -9.456 -3.955 1.00 0.00 N ATOM 1180 CA GLY A 75 -8.027 -9.695 -3.972 1.00 0.00 C ATOM 1181 C GLY A 75 -7.238 -8.408 -3.796 1.00 0.00 C ATOM 1182 O GLY A 75 -6.155 -8.449 -3.198 1.00 0.00 O ATOM 1183 OXT GLY A 75 -7.697 -7.350 -4.266 1.00 0.00 O ATOM 0 H GLY A 75 -9.889 -9.569 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.766 -10.393 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.749 -10.166 -4.914 1.00 0.00 H new TER 1187 GLY A 75