USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 982 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 4 MET CE :methyl -159:sc= 0 (180deg=-0.363) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.108 USER MOD Single : A 13 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.13) USER MOD Single : A 14 ASN : amide:sc= -6.91! C(o=-6.9!,f=-7.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.686 K(o=-0.69,f=-6.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.268 USER MOD Single : A 41 GLN : amide:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 44 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.065) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.956 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00595 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.53) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00779 K(o=-0.0078,f=-1.6) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -179:sc= -0.815 USER MOD Single : A 90 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.19) USER MOD Single : A 91 THR OG1 : rot -17:sc= 0.282 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -3.81! (180deg=-4.84!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.56! C(o=-2!,f=-0.56!) USER MOD Single : A 102 THR OG1 : rot -80:sc= 0.34 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0889 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.375 -6.826 16.788 1.00 0.00 N ATOM 2 CA GLY A 1 29.419 -7.628 18.042 1.00 0.00 C ATOM 3 C GLY A 1 28.350 -7.212 19.034 1.00 0.00 C ATOM 4 O GLY A 1 27.477 -8.006 19.384 1.00 0.00 O ATOM 0 H1 GLY A 1 30.125 -7.148 16.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.449 -6.947 16.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.521 -5.821 17.013 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.294 -8.683 17.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.400 -7.521 18.504 1.00 0.00 H new ATOM 10 N SER A 2 28.419 -5.965 19.489 1.00 0.00 N ATOM 11 CA SER A 2 27.450 -5.447 20.448 1.00 0.00 C ATOM 12 C SER A 2 27.112 -3.989 20.148 1.00 0.00 C ATOM 13 O SER A 2 27.723 -3.075 20.701 1.00 0.00 O ATOM 14 CB SER A 2 27.992 -5.575 21.872 1.00 0.00 C ATOM 15 OG SER A 2 26.939 -5.591 22.820 1.00 0.00 O ATOM 0 H SER A 2 29.135 -5.295 19.209 1.00 0.00 H new ATOM 0 HA SER A 2 26.538 -6.037 20.360 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.579 -6.490 21.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.664 -4.744 22.085 1.00 0.00 H new ATOM 0 HG SER A 2 27.312 -5.675 23.722 1.00 0.00 H new ATOM 21 N HIS A 3 26.139 -3.781 19.267 1.00 0.00 N ATOM 22 CA HIS A 3 25.725 -2.431 18.894 1.00 0.00 C ATOM 23 C HIS A 3 24.206 -2.275 18.959 1.00 0.00 C ATOM 24 O HIS A 3 23.699 -1.193 19.255 1.00 0.00 O ATOM 25 CB HIS A 3 26.222 -2.096 17.487 1.00 0.00 C ATOM 26 CG HIS A 3 26.492 -0.637 17.282 1.00 0.00 C ATOM 27 ND1 HIS A 3 27.532 0.029 17.894 1.00 0.00 N ATOM 28 CD2 HIS A 3 25.849 0.286 16.527 1.00 0.00 C ATOM 29 CE1 HIS A 3 27.518 1.298 17.527 1.00 0.00 C ATOM 30 NE2 HIS A 3 26.507 1.479 16.697 1.00 0.00 N ATOM 0 H HIS A 3 25.623 -4.526 18.799 1.00 0.00 H new ATOM 0 HA HIS A 3 26.168 -1.738 19.609 1.00 0.00 H new ATOM 0 HB2 HIS A 3 27.135 -2.658 17.289 1.00 0.00 H new ATOM 0 HB3 HIS A 3 25.480 -2.426 16.760 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.981 0.115 15.907 1.00 0.00 H new ATOM 0 HE1 HIS A 3 28.214 2.058 17.850 1.00 0.00 H new ATOM 0 HE2 HIS A 3 26.255 2.363 16.254 1.00 0.00 H new ATOM 39 N MET A 4 23.483 -3.357 18.674 1.00 0.00 N ATOM 40 CA MET A 4 22.021 -3.337 18.695 1.00 0.00 C ATOM 41 C MET A 4 21.473 -2.610 17.472 1.00 0.00 C ATOM 42 O MET A 4 22.136 -1.743 16.902 1.00 0.00 O ATOM 43 CB MET A 4 21.507 -2.671 19.976 1.00 0.00 C ATOM 44 CG MET A 4 20.081 -3.058 20.331 1.00 0.00 C ATOM 45 SD MET A 4 19.897 -4.825 20.637 1.00 0.00 S ATOM 46 CE MET A 4 18.446 -5.191 19.653 1.00 0.00 C ATOM 0 H MET A 4 23.887 -4.260 18.425 1.00 0.00 H new ATOM 0 HA MET A 4 21.670 -4.369 18.673 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.164 -2.938 20.804 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.563 -1.589 19.861 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.768 -2.505 21.217 1.00 0.00 H new ATOM 0 HG3 MET A 4 19.416 -2.762 19.520 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.987 -6.112 20.011 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.732 -4.372 19.739 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.735 -5.311 18.609 1.00 0.00 H new ATOM 56 N ASP A 5 20.258 -2.972 17.069 1.00 0.00 N ATOM 57 CA ASP A 5 19.622 -2.359 15.908 1.00 0.00 C ATOM 58 C ASP A 5 18.844 -1.107 16.301 1.00 0.00 C ATOM 59 O ASP A 5 18.860 -0.689 17.459 1.00 0.00 O ATOM 60 CB ASP A 5 18.687 -3.360 15.227 1.00 0.00 C ATOM 61 CG ASP A 5 17.563 -3.815 16.136 1.00 0.00 C ATOM 62 OD1 ASP A 5 16.775 -2.954 16.581 1.00 0.00 O ATOM 63 OD2 ASP A 5 17.470 -5.032 16.403 1.00 0.00 O ATOM 0 H ASP A 5 19.695 -3.687 17.530 1.00 0.00 H new ATOM 0 HA ASP A 5 20.408 -2.068 15.211 1.00 0.00 H new ATOM 0 HB2 ASP A 5 18.264 -2.906 14.331 1.00 0.00 H new ATOM 0 HB3 ASP A 5 19.262 -4.228 14.903 1.00 0.00 H new ATOM 68 N LYS A 6 18.164 -0.512 15.324 1.00 0.00 N ATOM 69 CA LYS A 6 17.376 0.694 15.555 1.00 0.00 C ATOM 70 C LYS A 6 16.681 1.136 14.271 1.00 0.00 C ATOM 71 O LYS A 6 15.524 1.557 14.290 1.00 0.00 O ATOM 72 CB LYS A 6 18.269 1.821 16.081 1.00 0.00 C ATOM 73 CG LYS A 6 17.607 2.671 17.154 1.00 0.00 C ATOM 74 CD LYS A 6 17.069 3.972 16.582 1.00 0.00 C ATOM 75 CE LYS A 6 18.071 5.105 16.737 1.00 0.00 C ATOM 76 NZ LYS A 6 17.539 6.393 16.211 1.00 0.00 N ATOM 0 H LYS A 6 18.144 -0.848 14.361 1.00 0.00 H new ATOM 0 HA LYS A 6 16.616 0.467 16.302 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.185 1.389 16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.559 2.462 15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.793 2.110 17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.327 2.889 17.942 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.832 3.836 15.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.139 4.236 17.086 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.328 5.221 17.790 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.991 4.850 16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.252 7.140 16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.318 6.290 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.675 6.650 16.730 1.00 0.00 H new ATOM 90 N THR A 7 17.397 1.032 13.156 1.00 0.00 N ATOM 91 CA THR A 7 16.856 1.413 11.854 1.00 0.00 C ATOM 92 C THR A 7 16.724 0.188 10.954 1.00 0.00 C ATOM 93 O THR A 7 17.575 -0.700 10.974 1.00 0.00 O ATOM 94 CB THR A 7 17.751 2.461 11.195 1.00 0.00 C ATOM 95 OG1 THR A 7 18.904 2.711 11.980 1.00 0.00 O ATOM 96 CG2 THR A 7 17.044 3.778 10.984 1.00 0.00 C ATOM 0 H THR A 7 18.356 0.686 13.127 1.00 0.00 H new ATOM 0 HA THR A 7 15.865 1.843 12.002 1.00 0.00 H new ATOM 0 HB THR A 7 18.027 2.045 10.226 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.462 3.384 11.537 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.726 4.486 10.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.177 3.627 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.718 4.174 11.946 1.00 0.00 H new ATOM 104 N PHE A 8 15.646 0.134 10.174 1.00 0.00 N ATOM 105 CA PHE A 8 15.417 -1.003 9.287 1.00 0.00 C ATOM 106 C PHE A 8 14.751 -0.601 7.975 1.00 0.00 C ATOM 107 O PHE A 8 13.902 0.288 7.933 1.00 0.00 O ATOM 108 CB PHE A 8 14.549 -2.056 9.981 1.00 0.00 C ATOM 109 CG PHE A 8 13.461 -1.488 10.855 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.874 -0.260 10.571 1.00 0.00 C ATOM 111 CD2 PHE A 8 13.024 -2.190 11.967 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.879 0.250 11.380 1.00 0.00 C ATOM 113 CE2 PHE A 8 12.029 -1.683 12.779 1.00 0.00 C ATOM 114 CZ PHE A 8 11.455 -0.461 12.486 1.00 0.00 C ATOM 0 H PHE A 8 14.926 0.855 10.138 1.00 0.00 H new ATOM 0 HA PHE A 8 16.399 -1.414 9.054 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.094 -2.692 9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.190 -2.695 10.589 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.200 0.301 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.468 -3.146 12.202 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.432 1.205 11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.700 -2.241 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.677 -0.063 13.120 1.00 0.00 H new ATOM 124 N CYS A 9 15.116 -1.300 6.910 1.00 0.00 N ATOM 125 CA CYS A 9 14.530 -1.059 5.603 1.00 0.00 C ATOM 126 C CYS A 9 13.394 -2.055 5.381 1.00 0.00 C ATOM 127 O CYS A 9 13.585 -3.262 5.528 1.00 0.00 O ATOM 128 CB CYS A 9 15.586 -1.208 4.505 1.00 0.00 C ATOM 129 SG CYS A 9 16.470 -2.784 4.541 1.00 0.00 S ATOM 0 H CYS A 9 15.817 -2.040 6.927 1.00 0.00 H new ATOM 0 HA CYS A 9 14.142 -0.041 5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.103 -1.096 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.308 -0.396 4.597 1.00 0.00 H new ATOM 0 HG CYS A 9 15.675 -3.718 4.973 1.00 0.00 H new ATOM 135 N VAL A 10 12.210 -1.554 5.049 1.00 0.00 N ATOM 136 CA VAL A 10 11.054 -2.422 4.839 1.00 0.00 C ATOM 137 C VAL A 10 10.660 -2.474 3.373 1.00 0.00 C ATOM 138 O VAL A 10 10.865 -1.524 2.629 1.00 0.00 O ATOM 139 CB VAL A 10 9.839 -1.959 5.680 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.724 -1.389 4.809 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.316 -3.102 6.530 1.00 0.00 C ATOM 0 H VAL A 10 12.024 -0.559 4.920 1.00 0.00 H new ATOM 0 HA VAL A 10 11.348 -3.421 5.163 1.00 0.00 H new ATOM 0 HB VAL A 10 10.183 -1.158 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.892 -1.077 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.100 -0.530 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.382 -2.152 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.462 -2.760 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.007 -3.924 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.102 -3.445 7.203 1.00 0.00 H new ATOM 151 N VAL A 11 10.090 -3.594 2.965 1.00 0.00 N ATOM 152 CA VAL A 11 9.675 -3.761 1.588 1.00 0.00 C ATOM 153 C VAL A 11 8.301 -4.416 1.489 1.00 0.00 C ATOM 154 O VAL A 11 8.033 -5.433 2.128 1.00 0.00 O ATOM 155 CB VAL A 11 10.714 -4.580 0.815 1.00 0.00 C ATOM 156 CG1 VAL A 11 10.996 -5.888 1.530 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.273 -4.819 -0.623 1.00 0.00 C ATOM 0 H VAL A 11 9.906 -4.397 3.566 1.00 0.00 H new ATOM 0 HA VAL A 11 9.600 -2.769 1.142 1.00 0.00 H new ATOM 0 HB VAL A 11 11.640 -4.006 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.736 -6.458 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.380 -5.681 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.075 -6.466 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.032 -5.403 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.329 -5.364 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.142 -3.862 -1.127 1.00 0.00 H new ATOM 167 N VAL A 12 7.435 -3.810 0.683 1.00 0.00 N ATOM 168 CA VAL A 12 6.079 -4.305 0.490 1.00 0.00 C ATOM 169 C VAL A 12 5.964 -5.131 -0.785 1.00 0.00 C ATOM 170 O VAL A 12 5.937 -4.588 -1.889 1.00 0.00 O ATOM 171 CB VAL A 12 5.073 -3.141 0.428 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.860 -2.555 1.812 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.554 -2.067 -0.535 1.00 0.00 C ATOM 0 H VAL A 12 7.652 -2.968 0.149 1.00 0.00 H new ATOM 0 HA VAL A 12 5.847 -4.940 1.345 1.00 0.00 H new ATOM 0 HB VAL A 12 4.121 -3.527 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.147 -1.733 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.472 -3.326 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.809 -2.185 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.829 -1.254 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.517 -1.683 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.661 -2.494 -1.532 1.00 0.00 H new ATOM 183 N GLN A 13 5.892 -6.445 -0.623 1.00 0.00 N ATOM 184 CA GLN A 13 5.776 -7.349 -1.761 1.00 0.00 C ATOM 185 C GLN A 13 4.352 -7.882 -1.887 1.00 0.00 C ATOM 186 O GLN A 13 3.922 -8.724 -1.099 1.00 0.00 O ATOM 187 CB GLN A 13 6.759 -8.512 -1.619 1.00 0.00 C ATOM 188 CG GLN A 13 7.440 -8.893 -2.923 1.00 0.00 C ATOM 189 CD GLN A 13 8.907 -9.225 -2.739 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.383 -10.266 -3.193 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.635 -8.340 -2.067 1.00 0.00 N ATOM 0 H GLN A 13 5.912 -6.910 0.285 1.00 0.00 H new ATOM 0 HA GLN A 13 6.017 -6.789 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.520 -8.247 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.228 -9.380 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.929 -9.752 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.343 -8.071 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.201 -7.490 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.628 -8.511 -1.910 1.00 0.00 H new ATOM 200 N ASN A 14 3.622 -7.388 -2.885 1.00 0.00 N ATOM 201 CA ASN A 14 2.248 -7.821 -3.109 1.00 0.00 C ATOM 202 C ASN A 14 2.026 -8.208 -4.565 1.00 0.00 C ATOM 203 O ASN A 14 2.614 -7.624 -5.476 1.00 0.00 O ATOM 204 CB ASN A 14 1.261 -6.721 -2.707 1.00 0.00 C ATOM 205 CG ASN A 14 0.389 -7.130 -1.536 1.00 0.00 C ATOM 206 OD1 ASN A 14 -0.837 -7.061 -1.607 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.020 -7.561 -0.450 1.00 0.00 N ATOM 0 H ASN A 14 3.959 -6.690 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 14 2.073 -8.698 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.813 -5.818 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.628 -6.474 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.486 -7.851 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.039 -7.602 -0.435 1.00 0.00 H new ATOM 214 N ARG A 15 1.165 -9.195 -4.772 1.00 0.00 N ATOM 215 CA ARG A 15 0.843 -9.669 -6.113 1.00 0.00 C ATOM 216 C ARG A 15 -0.652 -9.933 -6.231 1.00 0.00 C ATOM 217 O ARG A 15 -1.110 -11.061 -6.050 1.00 0.00 O ATOM 218 CB ARG A 15 1.627 -10.945 -6.431 1.00 0.00 C ATOM 219 CG ARG A 15 1.586 -11.978 -5.317 1.00 0.00 C ATOM 220 CD ARG A 15 2.857 -11.951 -4.484 1.00 0.00 C ATOM 221 NE ARG A 15 3.135 -13.248 -3.871 1.00 0.00 N ATOM 222 CZ ARG A 15 3.649 -14.285 -4.529 1.00 0.00 C ATOM 223 NH1 ARG A 15 3.944 -14.181 -5.818 1.00 0.00 N ATOM 224 NH2 ARG A 15 3.870 -15.428 -3.894 1.00 0.00 N ATOM 0 H ARG A 15 0.674 -9.686 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 15 1.124 -8.898 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.227 -11.390 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.665 -10.682 -6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.725 -11.789 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.452 -12.971 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.698 -11.660 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.765 -11.194 -3.705 1.00 0.00 H new ATOM 0 HE ARG A 15 2.923 -13.366 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.777 -13.303 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.338 -14.979 -6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.646 -15.512 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.264 -16.223 -4.397 1.00 0.00 H new ATOM 238 N ILE A 16 -1.410 -8.882 -6.521 1.00 0.00 N ATOM 239 CA ILE A 16 -2.855 -8.998 -6.645 1.00 0.00 C ATOM 240 C ILE A 16 -3.355 -8.448 -7.980 1.00 0.00 C ATOM 241 O ILE A 16 -3.933 -9.183 -8.780 1.00 0.00 O ATOM 242 CB ILE A 16 -3.569 -8.270 -5.485 1.00 0.00 C ATOM 243 CG1 ILE A 16 -3.036 -8.769 -4.141 1.00 0.00 C ATOM 244 CG2 ILE A 16 -5.072 -8.473 -5.569 1.00 0.00 C ATOM 245 CD1 ILE A 16 -3.370 -7.854 -2.984 1.00 0.00 C ATOM 0 H ILE A 16 -1.047 -7.941 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.093 -10.061 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.364 -7.203 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.446 -9.759 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.954 -8.879 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.556 -7.952 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.441 -8.075 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.299 -9.537 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.962 -8.269 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.937 -6.870 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.452 -7.763 -2.893 1.00 0.00 H new ATOM 257 N LYS A 17 -3.137 -7.156 -8.220 1.00 0.00 N ATOM 258 CA LYS A 17 -3.578 -6.527 -9.460 1.00 0.00 C ATOM 259 C LYS A 17 -2.556 -5.499 -9.954 1.00 0.00 C ATOM 260 O LYS A 17 -1.727 -5.804 -10.810 1.00 0.00 O ATOM 261 CB LYS A 17 -4.946 -5.860 -9.263 1.00 0.00 C ATOM 262 CG LYS A 17 -5.999 -6.774 -8.655 1.00 0.00 C ATOM 263 CD LYS A 17 -7.272 -6.797 -9.487 1.00 0.00 C ATOM 264 CE LYS A 17 -7.817 -8.209 -9.636 1.00 0.00 C ATOM 265 NZ LYS A 17 -9.294 -8.217 -9.832 1.00 0.00 N ATOM 0 H LYS A 17 -2.659 -6.528 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.668 -7.306 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.824 -4.987 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.305 -5.500 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.600 -7.785 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.231 -6.440 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.025 -6.163 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.071 -6.378 -10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.336 -8.696 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.565 -8.791 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.626 -9.198 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.755 -7.775 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.533 -7.684 -10.692 1.00 0.00 H new ATOM 279 N GLU A 18 -2.628 -4.283 -9.405 1.00 0.00 N ATOM 280 CA GLU A 18 -1.721 -3.191 -9.777 1.00 0.00 C ATOM 281 C GLU A 18 -2.280 -1.840 -9.328 1.00 0.00 C ATOM 282 O GLU A 18 -1.551 -0.851 -9.263 1.00 0.00 O ATOM 283 CB GLU A 18 -1.468 -3.164 -11.291 1.00 0.00 C ATOM 284 CG GLU A 18 -2.733 -3.249 -12.131 1.00 0.00 C ATOM 285 CD GLU A 18 -2.438 -3.435 -13.607 1.00 0.00 C ATOM 286 OE1 GLU A 18 -2.008 -2.456 -14.255 1.00 0.00 O ATOM 287 OE2 GLU A 18 -2.635 -4.559 -14.116 1.00 0.00 O ATOM 0 H GLU A 18 -3.313 -4.028 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.774 -3.372 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.937 -2.246 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.813 -3.994 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.344 -4.080 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.319 -2.340 -11.992 1.00 0.00 H new ATOM 294 N GLY A 19 -3.576 -1.802 -9.020 1.00 0.00 N ATOM 295 CA GLY A 19 -4.200 -0.568 -8.579 1.00 0.00 C ATOM 296 C GLY A 19 -4.935 -0.743 -7.264 1.00 0.00 C ATOM 297 O GLY A 19 -6.076 -0.306 -7.118 1.00 0.00 O ATOM 0 H GLY A 19 -4.203 -2.605 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.439 0.204 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.898 -0.222 -9.341 1.00 0.00 H new ATOM 301 N TYR A 20 -4.276 -1.393 -6.309 1.00 0.00 N ATOM 302 CA TYR A 20 -4.867 -1.636 -4.999 1.00 0.00 C ATOM 303 C TYR A 20 -4.327 -0.658 -3.965 1.00 0.00 C ATOM 304 O TYR A 20 -4.290 -0.956 -2.772 1.00 0.00 O ATOM 305 CB TYR A 20 -4.597 -3.077 -4.557 1.00 0.00 C ATOM 306 CG TYR A 20 -5.571 -3.590 -3.520 1.00 0.00 C ATOM 307 CD1 TYR A 20 -6.935 -3.352 -3.641 1.00 0.00 C ATOM 308 CD2 TYR A 20 -5.127 -4.315 -2.421 1.00 0.00 C ATOM 309 CE1 TYR A 20 -7.827 -3.820 -2.696 1.00 0.00 C ATOM 310 CE2 TYR A 20 -6.014 -4.789 -1.473 1.00 0.00 C ATOM 311 CZ TYR A 20 -7.362 -4.539 -1.615 1.00 0.00 C ATOM 312 OH TYR A 20 -8.248 -5.009 -0.672 1.00 0.00 O ATOM 0 H TYR A 20 -3.331 -1.761 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.943 -1.484 -5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.634 -3.728 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.586 -3.140 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.303 -2.792 -4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.071 -4.511 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.884 -3.624 -2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.653 -5.352 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.758 -5.496 0.023 1.00 0.00 H new ATOM 322 N ARG A 21 -3.925 0.520 -4.430 1.00 0.00 N ATOM 323 CA ARG A 21 -3.405 1.550 -3.544 1.00 0.00 C ATOM 324 C ARG A 21 -2.172 1.068 -2.796 1.00 0.00 C ATOM 325 O ARG A 21 -1.712 -0.056 -2.992 1.00 0.00 O ATOM 326 CB ARG A 21 -4.484 1.958 -2.543 1.00 0.00 C ATOM 327 CG ARG A 21 -5.799 2.372 -3.181 1.00 0.00 C ATOM 328 CD ARG A 21 -5.592 3.083 -4.512 1.00 0.00 C ATOM 329 NE ARG A 21 -6.699 3.984 -4.829 1.00 0.00 N ATOM 330 CZ ARG A 21 -6.955 4.442 -6.051 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.189 4.086 -7.076 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.981 5.258 -6.251 1.00 0.00 N ATOM 0 H ARG A 21 -3.950 0.783 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.119 2.407 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.668 1.125 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.110 2.784 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.420 1.490 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.341 3.029 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.661 3.649 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.488 2.343 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.311 4.279 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.399 3.458 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.391 4.441 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.573 5.534 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.178 5.610 -7.188 1.00 0.00 H new ATOM 346 N ARG A 22 -1.647 1.924 -1.924 1.00 0.00 N ATOM 347 CA ARG A 22 -0.475 1.576 -1.137 1.00 0.00 C ATOM 348 C ARG A 22 -0.191 2.624 -0.063 1.00 0.00 C ATOM 349 O ARG A 22 -0.568 2.452 1.096 1.00 0.00 O ATOM 350 CB ARG A 22 0.742 1.391 -2.048 1.00 0.00 C ATOM 351 CG ARG A 22 1.859 0.570 -1.423 1.00 0.00 C ATOM 352 CD ARG A 22 2.474 1.276 -0.225 1.00 0.00 C ATOM 353 NE ARG A 22 1.829 0.894 1.030 1.00 0.00 N ATOM 354 CZ ARG A 22 1.834 -0.343 1.522 1.00 0.00 C ATOM 355 NH1 ARG A 22 2.461 -1.318 0.877 1.00 0.00 N ATOM 356 NH2 ARG A 22 1.215 -0.605 2.664 1.00 0.00 N ATOM 0 H ARG A 22 -2.015 2.859 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.680 0.633 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.422 0.908 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.133 2.372 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.468 -0.399 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.631 0.379 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.537 1.040 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.393 2.355 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 22 1.346 1.619 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.943 -1.122 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.462 -2.264 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.734 0.141 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.219 -1.553 3.041 1.00 0.00 H new ATOM 370 N ALA A 23 0.473 3.709 -0.449 1.00 0.00 N ATOM 371 CA ALA A 23 0.802 4.778 0.486 1.00 0.00 C ATOM 372 C ALA A 23 -0.262 5.863 0.453 1.00 0.00 C ATOM 373 O ALA A 23 -0.684 6.378 1.488 1.00 0.00 O ATOM 374 CB ALA A 23 2.162 5.370 0.149 1.00 0.00 C ATOM 0 H ALA A 23 0.794 3.871 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 23 0.838 4.358 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.397 6.167 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.923 4.593 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.142 5.775 -0.863 1.00 0.00 H new ATOM 380 N GLY A 24 -0.684 6.201 -0.755 1.00 0.00 N ATOM 381 CA GLY A 24 -1.693 7.221 -0.945 1.00 0.00 C ATOM 382 C GLY A 24 -1.844 7.562 -2.408 1.00 0.00 C ATOM 383 O GLY A 24 -2.002 8.726 -2.778 1.00 0.00 O ATOM 0 H GLY A 24 -0.340 5.780 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.647 6.873 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.422 8.116 -0.385 1.00 0.00 H new ATOM 387 N PHE A 25 -1.777 6.532 -3.240 1.00 0.00 N ATOM 388 CA PHE A 25 -1.886 6.695 -4.679 1.00 0.00 C ATOM 389 C PHE A 25 -2.145 5.347 -5.344 1.00 0.00 C ATOM 390 O PHE A 25 -2.592 4.406 -4.692 1.00 0.00 O ATOM 391 CB PHE A 25 -0.609 7.344 -5.227 1.00 0.00 C ATOM 392 CG PHE A 25 0.590 6.432 -5.278 1.00 0.00 C ATOM 393 CD1 PHE A 25 0.873 5.553 -4.239 1.00 0.00 C ATOM 394 CD2 PHE A 25 1.446 6.469 -6.368 1.00 0.00 C ATOM 395 CE1 PHE A 25 1.983 4.733 -4.294 1.00 0.00 C ATOM 396 CE2 PHE A 25 2.557 5.650 -6.423 1.00 0.00 C ATOM 397 CZ PHE A 25 2.827 4.781 -5.385 1.00 0.00 C ATOM 0 H PHE A 25 -1.646 5.567 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.728 7.349 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.809 7.715 -6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.364 8.209 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.219 5.511 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.242 7.146 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.191 4.053 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.215 5.690 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.696 4.141 -5.426 1.00 0.00 H new ATOM 407 N SER A 26 -1.871 5.253 -6.639 1.00 0.00 N ATOM 408 CA SER A 26 -2.088 4.009 -7.367 1.00 0.00 C ATOM 409 C SER A 26 -0.778 3.254 -7.576 1.00 0.00 C ATOM 410 O SER A 26 -0.198 3.290 -8.660 1.00 0.00 O ATOM 411 CB SER A 26 -2.753 4.292 -8.717 1.00 0.00 C ATOM 412 OG SER A 26 -3.322 5.590 -8.746 1.00 0.00 O ATOM 0 H SER A 26 -1.501 6.017 -7.204 1.00 0.00 H new ATOM 0 HA SER A 26 -2.749 3.382 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.017 4.197 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.527 3.548 -8.907 1.00 0.00 H new ATOM 0 HG SER A 26 -3.738 5.745 -9.620 1.00 0.00 H new ATOM 418 N PHE A 27 -0.319 2.561 -6.534 1.00 0.00 N ATOM 419 CA PHE A 27 0.918 1.796 -6.627 1.00 0.00 C ATOM 420 C PHE A 27 0.679 0.478 -7.351 1.00 0.00 C ATOM 421 O PHE A 27 -0.415 -0.081 -7.291 1.00 0.00 O ATOM 422 CB PHE A 27 1.505 1.506 -5.242 1.00 0.00 C ATOM 423 CG PHE A 27 2.949 1.081 -5.295 1.00 0.00 C ATOM 424 CD1 PHE A 27 3.852 1.764 -6.095 1.00 0.00 C ATOM 425 CD2 PHE A 27 3.406 -0.005 -4.554 1.00 0.00 C ATOM 426 CE1 PHE A 27 5.176 1.379 -6.160 1.00 0.00 C ATOM 427 CE2 PHE A 27 4.731 -0.391 -4.617 1.00 0.00 C ATOM 428 CZ PHE A 27 5.617 0.300 -5.421 1.00 0.00 C ATOM 0 H PHE A 27 -0.781 2.515 -5.626 1.00 0.00 H new ATOM 0 HA PHE A 27 1.629 2.401 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.416 2.398 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.918 0.723 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.515 2.610 -6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.719 -0.551 -3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.866 1.922 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.075 -1.234 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.652 -0.003 -5.471 1.00 0.00 H new ATOM 438 N HIS A 28 1.711 -0.025 -8.020 1.00 0.00 N ATOM 439 CA HIS A 28 1.612 -1.292 -8.738 1.00 0.00 C ATOM 440 C HIS A 28 2.060 -2.442 -7.844 1.00 0.00 C ATOM 441 O HIS A 28 2.692 -3.392 -8.305 1.00 0.00 O ATOM 442 CB HIS A 28 2.464 -1.254 -10.007 1.00 0.00 C ATOM 443 CG HIS A 28 1.905 -0.368 -11.078 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.028 -0.644 -12.424 1.00 0.00 N ATOM 445 CD2 HIS A 28 1.217 0.795 -10.995 1.00 0.00 C ATOM 446 CE1 HIS A 28 1.439 0.312 -13.122 1.00 0.00 C ATOM 447 NE2 HIS A 28 0.939 1.195 -12.278 1.00 0.00 N ATOM 0 H HIS A 28 2.625 0.424 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 28 0.571 -1.449 -9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.467 -0.912 -9.751 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.562 -2.266 -10.399 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.939 1.312 -10.088 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.377 0.362 -14.199 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.428 2.039 -12.538 1.00 0.00 H new ATOM 456 N LEU A 29 1.731 -2.338 -6.557 1.00 0.00 N ATOM 457 CA LEU A 29 2.093 -3.349 -5.567 1.00 0.00 C ATOM 458 C LEU A 29 3.570 -3.738 -5.682 1.00 0.00 C ATOM 459 O LEU A 29 4.414 -3.165 -4.991 1.00 0.00 O ATOM 460 CB LEU A 29 1.181 -4.574 -5.691 1.00 0.00 C ATOM 461 CG LEU A 29 -0.123 -4.482 -4.892 1.00 0.00 C ATOM 462 CD1 LEU A 29 -0.832 -3.165 -5.175 1.00 0.00 C ATOM 463 CD2 LEU A 29 -1.032 -5.659 -5.215 1.00 0.00 C ATOM 0 H LEU A 29 1.207 -1.552 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 29 1.949 -2.919 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.937 -4.724 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.732 -5.455 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 29 0.122 -4.519 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.756 -3.118 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.185 -2.335 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.064 -3.098 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.953 -5.576 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.269 -5.655 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.526 -6.590 -4.960 1.00 0.00 H new ATOM 475 N GLY A 30 3.886 -4.698 -6.558 1.00 0.00 N ATOM 476 CA GLY A 30 5.265 -5.125 -6.738 1.00 0.00 C ATOM 477 C GLY A 30 6.044 -5.166 -5.440 1.00 0.00 C ATOM 478 O GLY A 30 5.542 -5.632 -4.419 1.00 0.00 O ATOM 0 H GLY A 30 3.209 -5.186 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.277 -6.115 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.762 -4.448 -7.433 1.00 0.00 H new ATOM 482 N ASP A 31 7.271 -4.667 -5.482 1.00 0.00 N ATOM 483 CA ASP A 31 8.126 -4.636 -4.301 1.00 0.00 C ATOM 484 C ASP A 31 8.843 -3.298 -4.180 1.00 0.00 C ATOM 485 O ASP A 31 9.652 -2.935 -5.035 1.00 0.00 O ATOM 486 CB ASP A 31 9.151 -5.773 -4.340 1.00 0.00 C ATOM 487 CG ASP A 31 9.577 -6.134 -5.751 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.524 -5.503 -6.266 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.965 -7.050 -6.339 1.00 0.00 O ATOM 0 H ASP A 31 7.699 -4.277 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 31 7.486 -4.769 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.029 -5.484 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.728 -6.654 -3.857 1.00 0.00 H new ATOM 494 N ASN A 32 8.547 -2.572 -3.109 1.00 0.00 N ATOM 495 CA ASN A 32 9.168 -1.274 -2.868 1.00 0.00 C ATOM 496 C ASN A 32 9.940 -1.296 -1.557 1.00 0.00 C ATOM 497 O ASN A 32 9.398 -1.675 -0.522 1.00 0.00 O ATOM 498 CB ASN A 32 8.106 -0.174 -2.831 1.00 0.00 C ATOM 499 CG ASN A 32 8.712 1.215 -2.807 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.749 1.442 -2.184 1.00 0.00 O ATOM 501 ND2 ASN A 32 8.067 2.154 -3.490 1.00 0.00 N ATOM 0 H ASN A 32 7.880 -2.860 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 32 9.861 -1.065 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.458 -0.269 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.478 -0.309 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.428 3.108 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.210 1.921 -3.992 1.00 0.00 H new ATOM 508 N SER A 33 11.208 -0.898 -1.601 1.00 0.00 N ATOM 509 CA SER A 33 12.038 -0.891 -0.403 1.00 0.00 C ATOM 510 C SER A 33 11.893 0.408 0.369 1.00 0.00 C ATOM 511 O SER A 33 11.723 1.482 -0.208 1.00 0.00 O ATOM 512 CB SER A 33 13.509 -1.109 -0.748 1.00 0.00 C ATOM 513 OG SER A 33 13.821 -0.586 -2.028 1.00 0.00 O ATOM 0 H SER A 33 11.680 -0.578 -2.447 1.00 0.00 H new ATOM 0 HA SER A 33 11.691 -1.713 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.136 -0.631 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.737 -2.175 -0.723 1.00 0.00 H new ATOM 0 HG SER A 33 14.770 -0.738 -2.221 1.00 0.00 H new ATOM 519 N LEU A 34 11.964 0.289 1.684 1.00 0.00 N ATOM 520 CA LEU A 34 11.848 1.430 2.575 1.00 0.00 C ATOM 521 C LEU A 34 13.196 1.703 3.248 1.00 0.00 C ATOM 522 O LEU A 34 13.920 0.774 3.598 1.00 0.00 O ATOM 523 CB LEU A 34 10.742 1.156 3.614 1.00 0.00 C ATOM 524 CG LEU A 34 10.641 2.121 4.785 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.581 1.666 5.882 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.929 3.557 4.368 1.00 0.00 C ATOM 0 H LEU A 34 12.104 -0.601 2.163 1.00 0.00 H new ATOM 0 HA LEU A 34 11.573 2.320 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.783 1.151 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.893 0.153 4.013 1.00 0.00 H new ATOM 0 HG LEU A 34 9.617 2.112 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.515 2.353 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.303 0.664 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.603 1.654 5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.846 4.212 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.938 3.622 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.210 3.867 3.609 1.00 0.00 H new ATOM 538 N ALA A 35 13.526 2.978 3.418 1.00 0.00 N ATOM 539 CA ALA A 35 14.777 3.379 4.037 1.00 0.00 C ATOM 540 C ALA A 35 14.761 3.068 5.521 1.00 0.00 C ATOM 541 O ALA A 35 13.707 2.936 6.125 1.00 0.00 O ATOM 542 CB ALA A 35 15.030 4.856 3.814 1.00 0.00 C ATOM 0 H ALA A 35 12.934 3.758 3.131 1.00 0.00 H new ATOM 0 HA ALA A 35 15.585 2.813 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.972 5.139 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.084 5.059 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.217 5.435 4.252 1.00 0.00 H new ATOM 548 N ALA A 36 15.933 2.929 6.102 1.00 0.00 N ATOM 549 CA ALA A 36 16.027 2.591 7.513 1.00 0.00 C ATOM 550 C ALA A 36 15.585 3.753 8.391 1.00 0.00 C ATOM 551 O ALA A 36 16.214 4.811 8.418 1.00 0.00 O ATOM 552 CB ALA A 36 17.450 2.176 7.858 1.00 0.00 C ATOM 0 H ALA A 36 16.829 3.043 5.628 1.00 0.00 H new ATOM 0 HA ALA A 36 15.356 1.754 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.509 1.925 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.730 1.307 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.132 2.999 7.641 1.00 0.00 H new ATOM 558 N VAL A 37 14.476 3.534 9.101 1.00 0.00 N ATOM 559 CA VAL A 37 13.906 4.544 9.986 1.00 0.00 C ATOM 560 C VAL A 37 13.580 3.948 11.358 1.00 0.00 C ATOM 561 O VAL A 37 13.948 2.812 11.655 1.00 0.00 O ATOM 562 CB VAL A 37 12.626 5.183 9.375 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.668 5.142 7.855 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.360 4.494 9.874 1.00 0.00 C ATOM 0 H VAL A 37 13.954 2.658 9.077 1.00 0.00 H new ATOM 0 HA VAL A 37 14.657 5.325 10.106 1.00 0.00 H new ATOM 0 HB VAL A 37 12.602 6.223 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.761 5.595 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.538 5.695 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.735 4.107 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.487 4.968 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.385 3.441 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.302 4.580 10.959 1.00 0.00 H new ATOM 574 N SER A 38 12.884 4.722 12.184 1.00 0.00 N ATOM 575 CA SER A 38 12.505 4.272 13.520 1.00 0.00 C ATOM 576 C SER A 38 11.504 3.119 13.452 1.00 0.00 C ATOM 577 O SER A 38 11.841 1.976 13.762 1.00 0.00 O ATOM 578 CB SER A 38 11.911 5.433 14.319 1.00 0.00 C ATOM 579 OG SER A 38 12.422 5.457 15.641 1.00 0.00 O ATOM 0 H SER A 38 12.570 5.665 11.952 1.00 0.00 H new ATOM 0 HA SER A 38 13.404 3.913 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.138 6.375 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.825 5.341 14.347 1.00 0.00 H new ATOM 0 HG SER A 38 12.028 6.209 16.130 1.00 0.00 H new ATOM 585 N GLU A 39 10.271 3.424 13.054 1.00 0.00 N ATOM 586 CA GLU A 39 9.226 2.403 12.961 1.00 0.00 C ATOM 587 C GLU A 39 8.066 2.839 12.061 1.00 0.00 C ATOM 588 O GLU A 39 7.279 2.004 11.616 1.00 0.00 O ATOM 589 CB GLU A 39 8.698 2.066 14.356 1.00 0.00 C ATOM 590 CG GLU A 39 8.170 0.645 14.478 1.00 0.00 C ATOM 591 CD GLU A 39 6.790 0.586 15.106 1.00 0.00 C ATOM 592 OE1 GLU A 39 5.828 1.066 14.471 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.673 0.060 16.233 1.00 0.00 O ATOM 0 H GLU A 39 9.971 4.363 12.792 1.00 0.00 H new ATOM 0 HA GLU A 39 9.677 1.519 12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.497 2.212 15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.902 2.764 14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.135 0.189 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.863 0.054 15.077 1.00 0.00 H new ATOM 600 N SER A 40 7.955 4.143 11.802 1.00 0.00 N ATOM 601 CA SER A 40 6.882 4.676 10.963 1.00 0.00 C ATOM 602 C SER A 40 6.649 3.813 9.722 1.00 0.00 C ATOM 603 O SER A 40 5.512 3.620 9.295 1.00 0.00 O ATOM 604 CB SER A 40 7.205 6.111 10.542 1.00 0.00 C ATOM 605 OG SER A 40 8.519 6.205 10.018 1.00 0.00 O ATOM 0 H SER A 40 8.596 4.850 12.162 1.00 0.00 H new ATOM 0 HA SER A 40 5.967 4.665 11.555 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.487 6.444 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.103 6.777 11.399 1.00 0.00 H new ATOM 0 HG SER A 40 8.701 7.131 9.755 1.00 0.00 H new ATOM 611 N GLN A 41 7.733 3.306 9.144 1.00 0.00 N ATOM 612 CA GLN A 41 7.641 2.469 7.947 1.00 0.00 C ATOM 613 C GLN A 41 6.782 1.235 8.186 1.00 0.00 C ATOM 614 O GLN A 41 5.989 0.843 7.332 1.00 0.00 O ATOM 615 CB GLN A 41 9.026 2.034 7.469 1.00 0.00 C ATOM 616 CG GLN A 41 10.039 1.747 8.574 1.00 0.00 C ATOM 617 CD GLN A 41 9.825 0.411 9.259 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.186 0.332 10.306 1.00 0.00 O ATOM 619 NE2 GLN A 41 10.384 -0.645 8.681 1.00 0.00 N ATOM 0 H GLN A 41 8.684 3.458 9.481 1.00 0.00 H new ATOM 0 HA GLN A 41 7.170 3.078 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.916 1.138 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.430 2.813 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.043 1.773 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.987 2.541 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.906 -0.534 7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.292 -1.568 9.106 1.00 0.00 H new ATOM 628 N LEU A 42 6.962 0.618 9.343 1.00 0.00 N ATOM 629 CA LEU A 42 6.218 -0.585 9.689 1.00 0.00 C ATOM 630 C LEU A 42 4.758 -0.271 9.979 1.00 0.00 C ATOM 631 O LEU A 42 3.879 -1.102 9.757 1.00 0.00 O ATOM 632 CB LEU A 42 6.853 -1.268 10.902 1.00 0.00 C ATOM 633 CG LEU A 42 6.127 -2.521 11.393 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.691 -3.764 10.720 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.231 -2.638 12.906 1.00 0.00 C ATOM 0 H LEU A 42 7.617 0.930 10.060 1.00 0.00 H new ATOM 0 HA LEU A 42 6.257 -1.258 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.880 -1.536 10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.901 -0.550 11.721 1.00 0.00 H new ATOM 0 HG LEU A 42 5.074 -2.435 11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.162 -4.646 11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.564 -3.683 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.751 -3.855 10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.709 -3.535 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.280 -2.701 13.195 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.779 -1.762 13.371 1.00 0.00 H new ATOM 647 N ALA A 43 4.504 0.927 10.484 1.00 0.00 N ATOM 648 CA ALA A 43 3.149 1.341 10.813 1.00 0.00 C ATOM 649 C ALA A 43 2.461 2.004 9.625 1.00 0.00 C ATOM 650 O ALA A 43 1.237 1.959 9.503 1.00 0.00 O ATOM 651 CB ALA A 43 3.171 2.281 12.003 1.00 0.00 C ATOM 0 H ALA A 43 5.219 1.629 10.675 1.00 0.00 H new ATOM 0 HA ALA A 43 2.576 0.450 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.153 2.587 12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.609 1.771 12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.767 3.161 11.761 1.00 0.00 H new ATOM 657 N GLN A 44 3.250 2.618 8.749 1.00 0.00 N ATOM 658 CA GLN A 44 2.705 3.288 7.575 1.00 0.00 C ATOM 659 C GLN A 44 2.158 2.270 6.581 1.00 0.00 C ATOM 660 O GLN A 44 1.049 2.421 6.067 1.00 0.00 O ATOM 661 CB GLN A 44 3.777 4.151 6.907 1.00 0.00 C ATOM 662 CG GLN A 44 3.701 5.621 7.290 1.00 0.00 C ATOM 663 CD GLN A 44 2.502 6.321 6.682 1.00 0.00 C ATOM 664 OE1 GLN A 44 2.397 6.451 5.463 1.00 0.00 O ATOM 665 NE2 GLN A 44 1.588 6.776 7.532 1.00 0.00 N ATOM 0 H GLN A 44 4.266 2.665 8.830 1.00 0.00 H new ATOM 0 HA GLN A 44 1.887 3.932 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.761 3.765 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.682 4.061 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.656 5.708 8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.613 6.124 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.716 6.646 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.759 7.255 7.181 1.00 0.00 H new ATOM 674 N LEU A 45 2.944 1.234 6.315 1.00 0.00 N ATOM 675 CA LEU A 45 2.544 0.189 5.381 1.00 0.00 C ATOM 676 C LEU A 45 1.571 -0.789 6.032 1.00 0.00 C ATOM 677 O LEU A 45 0.699 -1.348 5.367 1.00 0.00 O ATOM 678 CB LEU A 45 3.780 -0.548 4.864 1.00 0.00 C ATOM 679 CG LEU A 45 4.844 0.362 4.248 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.042 -0.440 3.770 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.251 1.174 3.110 1.00 0.00 C ATOM 0 H LEU A 45 3.864 1.095 6.734 1.00 0.00 H new ATOM 0 HA LEU A 45 2.031 0.657 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.227 -1.105 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.467 -1.279 4.118 1.00 0.00 H new ATOM 0 HG LEU A 45 5.191 1.049 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.781 0.234 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.484 -0.971 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.721 -1.159 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.020 1.817 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.872 0.500 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.434 1.789 3.489 1.00 0.00 H new ATOM 692 N LYS A 46 1.724 -0.989 7.337 1.00 0.00 N ATOM 693 CA LYS A 46 0.854 -1.897 8.079 1.00 0.00 C ATOM 694 C LYS A 46 -0.447 -1.208 8.489 1.00 0.00 C ATOM 695 O LYS A 46 -1.416 -1.867 8.866 1.00 0.00 O ATOM 696 CB LYS A 46 1.572 -2.425 9.322 1.00 0.00 C ATOM 697 CG LYS A 46 0.852 -3.581 9.999 1.00 0.00 C ATOM 698 CD LYS A 46 1.247 -3.703 11.463 1.00 0.00 C ATOM 699 CE LYS A 46 1.633 -5.130 11.820 1.00 0.00 C ATOM 700 NZ LYS A 46 2.100 -5.243 13.229 1.00 0.00 N ATOM 0 H LYS A 46 2.441 -0.535 7.903 1.00 0.00 H new ATOM 0 HA LYS A 46 0.609 -2.731 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.575 -2.747 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.687 -1.611 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.225 -3.435 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.085 -4.510 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.083 -3.036 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.417 -3.381 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.776 -5.787 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.420 -5.472 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.353 -6.231 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.933 -4.636 13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.340 -4.941 13.872 1.00 0.00 H new ATOM 714 N ALA A 47 -0.463 0.122 8.419 1.00 0.00 N ATOM 715 CA ALA A 47 -1.645 0.898 8.789 1.00 0.00 C ATOM 716 C ALA A 47 -2.909 0.346 8.136 1.00 0.00 C ATOM 717 O ALA A 47 -3.971 0.304 8.759 1.00 0.00 O ATOM 718 CB ALA A 47 -1.452 2.359 8.412 1.00 0.00 C ATOM 0 H ALA A 47 0.329 0.685 8.109 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.770 0.819 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.339 2.927 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.584 2.759 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.295 2.439 7.336 1.00 0.00 H new ATOM 724 N ASP A 48 -2.792 -0.073 6.880 1.00 0.00 N ATOM 725 CA ASP A 48 -3.932 -0.617 6.149 1.00 0.00 C ATOM 726 C ASP A 48 -3.655 -2.047 5.685 1.00 0.00 C ATOM 727 O ASP A 48 -2.533 -2.375 5.299 1.00 0.00 O ATOM 728 CB ASP A 48 -4.261 0.267 4.945 1.00 0.00 C ATOM 729 CG ASP A 48 -5.751 0.488 4.781 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.299 1.375 5.469 1.00 0.00 O ATOM 731 OD2 ASP A 48 -6.371 -0.226 3.964 1.00 0.00 O ATOM 0 H ASP A 48 -1.922 -0.047 6.348 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.787 -0.635 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.764 1.230 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.863 -0.193 4.040 1.00 0.00 H new ATOM 736 N PRO A 49 -4.678 -2.919 5.718 1.00 0.00 N ATOM 737 CA PRO A 49 -4.541 -4.314 5.303 1.00 0.00 C ATOM 738 C PRO A 49 -4.693 -4.493 3.794 1.00 0.00 C ATOM 739 O PRO A 49 -5.465 -5.335 3.333 1.00 0.00 O ATOM 740 CB PRO A 49 -5.691 -4.994 6.040 1.00 0.00 C ATOM 741 CG PRO A 49 -6.756 -3.952 6.111 1.00 0.00 C ATOM 742 CD PRO A 49 -6.052 -2.617 6.168 1.00 0.00 C ATOM 0 HA PRO A 49 -3.556 -4.721 5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.037 -5.879 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.388 -5.320 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.411 -4.008 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.382 -4.098 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.532 -1.884 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.060 -2.204 7.177 1.00 0.00 H new ATOM 750 N ARG A 50 -3.951 -3.698 3.030 1.00 0.00 N ATOM 751 CA ARG A 50 -4.002 -3.770 1.574 1.00 0.00 C ATOM 752 C ARG A 50 -2.849 -4.615 1.039 1.00 0.00 C ATOM 753 O ARG A 50 -3.053 -5.525 0.234 1.00 0.00 O ATOM 754 CB ARG A 50 -3.952 -2.362 0.974 1.00 0.00 C ATOM 755 CG ARG A 50 -5.264 -1.920 0.348 1.00 0.00 C ATOM 756 CD ARG A 50 -6.408 -1.970 1.349 1.00 0.00 C ATOM 757 NE ARG A 50 -7.695 -2.197 0.698 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.779 -2.638 1.332 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.737 -2.896 2.634 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.911 -2.819 0.664 1.00 0.00 N ATOM 0 H ARG A 50 -3.307 -2.996 3.395 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.940 -4.243 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.675 -1.653 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.168 -2.326 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.161 -0.905 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.496 -2.561 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.222 -2.764 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.444 -1.034 1.906 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.768 -2.006 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.871 -2.756 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.571 -3.234 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.951 -2.620 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.742 -3.157 1.150 1.00 0.00 H new ATOM 774 N LEU A 51 -1.640 -4.313 1.501 1.00 0.00 N ATOM 775 CA LEU A 51 -0.451 -5.049 1.086 1.00 0.00 C ATOM 776 C LEU A 51 0.289 -5.579 2.314 1.00 0.00 C ATOM 777 O LEU A 51 -0.227 -5.511 3.429 1.00 0.00 O ATOM 778 CB LEU A 51 0.477 -4.158 0.244 1.00 0.00 C ATOM 779 CG LEU A 51 -0.220 -3.195 -0.727 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.378 -3.880 -1.439 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.694 -1.943 0.000 1.00 0.00 C ATOM 0 H LEU A 51 -1.458 -3.561 2.165 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.762 -5.892 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.100 -3.573 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.145 -4.801 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 51 0.506 -2.895 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.854 -3.175 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.004 -4.734 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.106 -4.222 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.185 -1.275 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.398 -2.222 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.161 -1.435 0.445 1.00 0.00 H new ATOM 793 N VAL A 52 1.490 -6.118 2.111 1.00 0.00 N ATOM 794 CA VAL A 52 2.270 -6.666 3.216 1.00 0.00 C ATOM 795 C VAL A 52 3.504 -5.819 3.518 1.00 0.00 C ATOM 796 O VAL A 52 4.151 -5.300 2.611 1.00 0.00 O ATOM 797 CB VAL A 52 2.716 -8.116 2.919 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.578 -8.910 2.302 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.936 -8.139 2.005 1.00 0.00 C ATOM 0 H VAL A 52 1.940 -6.186 1.198 1.00 0.00 H new ATOM 0 HA VAL A 52 1.617 -6.657 4.089 1.00 0.00 H new ATOM 0 HB VAL A 52 2.992 -8.581 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.912 -9.928 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.735 -8.935 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.269 -8.438 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.227 -9.172 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.693 -7.649 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.761 -7.613 2.486 1.00 0.00 H new ATOM 809 N VAL A 53 3.833 -5.705 4.802 1.00 0.00 N ATOM 810 CA VAL A 53 5.005 -4.946 5.230 1.00 0.00 C ATOM 811 C VAL A 53 5.834 -5.767 6.212 1.00 0.00 C ATOM 812 O VAL A 53 5.357 -6.134 7.286 1.00 0.00 O ATOM 813 CB VAL A 53 4.613 -3.601 5.871 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.571 -3.801 6.962 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.837 -2.876 6.418 1.00 0.00 C ATOM 0 H VAL A 53 3.304 -6.129 5.565 1.00 0.00 H new ATOM 0 HA VAL A 53 5.599 -4.732 4.342 1.00 0.00 H new ATOM 0 HB VAL A 53 4.173 -2.977 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.311 -2.837 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.679 -4.257 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.976 -4.453 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.530 -1.930 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.319 -3.495 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.539 -2.684 5.606 1.00 0.00 H new ATOM 825 N GLN A 54 7.069 -6.070 5.827 1.00 0.00 N ATOM 826 CA GLN A 54 7.954 -6.873 6.671 1.00 0.00 C ATOM 827 C GLN A 54 9.303 -6.194 6.897 1.00 0.00 C ATOM 828 O GLN A 54 9.922 -5.690 5.960 1.00 0.00 O ATOM 829 CB GLN A 54 8.167 -8.253 6.045 1.00 0.00 C ATOM 830 CG GLN A 54 7.299 -9.340 6.661 1.00 0.00 C ATOM 831 CD GLN A 54 6.490 -10.098 5.627 1.00 0.00 C ATOM 832 OE1 GLN A 54 5.262 -10.020 5.603 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.177 -10.840 4.765 1.00 0.00 N ATOM 0 H GLN A 54 7.481 -5.775 4.942 1.00 0.00 H new ATOM 0 HA GLN A 54 7.470 -6.979 7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.958 -8.195 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.215 -8.533 6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.932 -10.040 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.622 -8.891 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.195 -10.876 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.687 -11.374 4.047 1.00 0.00 H new ATOM 842 N ILE A 55 9.758 -6.207 8.149 1.00 0.00 N ATOM 843 CA ILE A 55 11.040 -5.612 8.515 1.00 0.00 C ATOM 844 C ILE A 55 12.170 -6.626 8.370 1.00 0.00 C ATOM 845 O ILE A 55 12.161 -7.676 9.011 1.00 0.00 O ATOM 846 CB ILE A 55 11.022 -5.090 9.964 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.602 -6.205 10.928 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.089 -3.894 10.086 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.618 -6.477 12.015 1.00 0.00 C ATOM 0 H ILE A 55 9.254 -6.626 8.930 1.00 0.00 H new ATOM 0 HA ILE A 55 11.210 -4.776 7.837 1.00 0.00 H new ATOM 0 HB ILE A 55 12.029 -4.768 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.651 -5.937 11.389 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.434 -7.121 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.088 -3.537 11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.431 -3.097 9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.079 -4.190 9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.255 -7.277 12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.564 -6.776 11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.768 -5.574 12.607 1.00 0.00 H new ATOM 861 N THR A 56 13.142 -6.304 7.522 1.00 0.00 N ATOM 862 CA THR A 56 14.279 -7.188 7.293 1.00 0.00 C ATOM 863 C THR A 56 15.591 -6.478 7.607 1.00 0.00 C ATOM 864 O THR A 56 16.056 -5.639 6.836 1.00 0.00 O ATOM 865 CB THR A 56 14.285 -7.679 5.845 1.00 0.00 C ATOM 866 OG1 THR A 56 14.422 -6.592 4.948 1.00 0.00 O ATOM 867 CG2 THR A 56 13.031 -8.434 5.464 1.00 0.00 C ATOM 0 H THR A 56 13.165 -5.438 6.983 1.00 0.00 H new ATOM 0 HA THR A 56 14.182 -8.045 7.960 1.00 0.00 H new ATOM 0 HB THR A 56 15.134 -8.359 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.056 -5.942 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.101 -8.754 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.923 -9.308 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.164 -7.785 5.586 1.00 0.00 H new ATOM 875 N GLU A 57 16.180 -6.821 8.746 1.00 0.00 N ATOM 876 CA GLU A 57 17.440 -6.219 9.169 1.00 0.00 C ATOM 877 C GLU A 57 18.587 -6.668 8.268 1.00 0.00 C ATOM 878 O GLU A 57 19.202 -5.856 7.577 1.00 0.00 O ATOM 879 CB GLU A 57 17.743 -6.588 10.622 1.00 0.00 C ATOM 880 CG GLU A 57 18.248 -5.420 11.453 1.00 0.00 C ATOM 881 CD GLU A 57 18.157 -5.683 12.943 1.00 0.00 C ATOM 882 OE1 GLU A 57 19.117 -6.252 13.505 1.00 0.00 O ATOM 883 OE2 GLU A 57 17.126 -5.321 13.549 1.00 0.00 O ATOM 0 H GLU A 57 15.805 -7.514 9.394 1.00 0.00 H new ATOM 0 HA GLU A 57 17.342 -5.136 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.840 -6.987 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.488 -7.384 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.284 -5.211 11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.670 -4.529 11.209 1.00 0.00 H new ATOM 890 N THR A 58 18.869 -7.966 8.279 1.00 0.00 N ATOM 891 CA THR A 58 19.942 -8.523 7.463 1.00 0.00 C ATOM 892 C THR A 58 19.379 -9.233 6.237 1.00 0.00 C ATOM 893 O THR A 58 18.449 -10.033 6.342 1.00 0.00 O ATOM 894 CB THR A 58 20.786 -9.497 8.287 1.00 0.00 C ATOM 895 OG1 THR A 58 19.980 -10.197 9.219 1.00 0.00 O ATOM 896 CG2 THR A 58 21.897 -8.818 9.058 1.00 0.00 C ATOM 0 H THR A 58 18.369 -8.653 8.844 1.00 0.00 H new ATOM 0 HA THR A 58 20.574 -7.700 7.127 1.00 0.00 H new ATOM 0 HB THR A 58 21.231 -10.179 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.538 -10.816 9.735 1.00 0.00 H new ATOM 0 HG21 THR A 58 22.458 -9.564 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 58 22.565 -8.311 8.362 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.469 -8.089 9.747 1.00 0.00 H new ATOM 904 N GLY A 59 19.950 -8.935 5.075 1.00 0.00 N ATOM 905 CA GLY A 59 19.493 -9.553 3.844 1.00 0.00 C ATOM 906 C GLY A 59 20.101 -8.913 2.612 1.00 0.00 C ATOM 907 O GLY A 59 20.411 -9.597 1.637 1.00 0.00 O ATOM 0 H GLY A 59 20.721 -8.277 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.743 -10.614 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.407 -9.482 3.787 1.00 0.00 H new ATOM 911 N SER A 60 20.273 -7.596 2.655 1.00 0.00 N ATOM 912 CA SER A 60 20.848 -6.863 1.533 1.00 0.00 C ATOM 913 C SER A 60 21.937 -5.906 2.010 1.00 0.00 C ATOM 914 O SER A 60 21.783 -5.233 3.029 1.00 0.00 O ATOM 915 CB SER A 60 19.759 -6.086 0.792 1.00 0.00 C ATOM 916 OG SER A 60 19.296 -4.992 1.565 1.00 0.00 O ATOM 0 H SER A 60 20.022 -7.014 3.455 1.00 0.00 H new ATOM 0 HA SER A 60 21.297 -7.585 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 60 20.150 -5.724 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.926 -6.751 0.562 1.00 0.00 H new ATOM 0 HG SER A 60 18.602 -4.511 1.068 1.00 0.00 H new ATOM 922 N GLN A 61 23.036 -5.850 1.266 1.00 0.00 N ATOM 923 CA GLN A 61 24.150 -4.976 1.612 1.00 0.00 C ATOM 924 C GLN A 61 23.739 -3.509 1.522 1.00 0.00 C ATOM 925 O GLN A 61 22.713 -3.178 0.927 1.00 0.00 O ATOM 926 CB GLN A 61 25.342 -5.244 0.692 1.00 0.00 C ATOM 927 CG GLN A 61 26.668 -5.341 1.428 1.00 0.00 C ATOM 928 CD GLN A 61 27.143 -6.772 1.588 1.00 0.00 C ATOM 929 OE1 GLN A 61 26.340 -7.703 1.648 1.00 0.00 O ATOM 930 NE2 GLN A 61 28.457 -6.954 1.659 1.00 0.00 N ATOM 0 H GLN A 61 23.179 -6.400 0.419 1.00 0.00 H new ATOM 0 HA GLN A 61 24.441 -5.190 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 61 25.169 -6.173 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 61 25.405 -4.447 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 61 27.422 -4.770 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 61 26.567 -4.883 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 61 29.086 -6.153 1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 61 28.836 -7.895 1.768 1.00 0.00 H new ATOM 939 N GLU A 62 24.546 -2.635 2.114 1.00 0.00 N ATOM 940 CA GLU A 62 24.266 -1.204 2.100 1.00 0.00 C ATOM 941 C GLU A 62 25.554 -0.400 1.952 1.00 0.00 C ATOM 942 O GLU A 62 26.648 -0.963 1.915 1.00 0.00 O ATOM 943 CB GLU A 62 23.534 -0.792 3.380 1.00 0.00 C ATOM 944 CG GLU A 62 22.096 -0.358 3.144 1.00 0.00 C ATOM 945 CD GLU A 62 21.263 -0.387 4.410 1.00 0.00 C ATOM 946 OE1 GLU A 62 21.289 -1.418 5.115 1.00 0.00 O ATOM 947 OE2 GLU A 62 20.582 0.620 4.696 1.00 0.00 O ATOM 0 H GLU A 62 25.399 -2.893 2.610 1.00 0.00 H new ATOM 0 HA GLU A 62 23.627 -0.992 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 62 23.543 -1.628 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 62 24.079 0.025 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 62 22.088 0.651 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 62 21.641 -1.011 2.399 1.00 0.00 H new ATOM 954 N GLY A 63 25.416 0.920 1.869 1.00 0.00 N ATOM 955 CA GLY A 63 26.575 1.780 1.726 1.00 0.00 C ATOM 956 C GLY A 63 26.424 3.087 2.479 1.00 0.00 C ATOM 957 O GLY A 63 26.074 3.095 3.658 1.00 0.00 O ATOM 0 H GLY A 63 24.521 1.409 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 63 27.459 1.256 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.739 1.990 0.669 1.00 0.00 H new ATOM 961 N GLY A 64 26.689 4.195 1.794 1.00 0.00 N ATOM 962 CA GLY A 64 26.575 5.499 2.421 1.00 0.00 C ATOM 963 C GLY A 64 26.074 6.562 1.461 1.00 0.00 C ATOM 964 O GLY A 64 24.871 6.797 1.357 1.00 0.00 O ATOM 0 H GLY A 64 26.980 4.213 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.896 5.432 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.548 5.797 2.813 1.00 0.00 H new ATOM 968 N GLU A 65 27.001 7.206 0.759 1.00 0.00 N ATOM 969 CA GLU A 65 26.649 8.250 -0.195 1.00 0.00 C ATOM 970 C GLU A 65 26.385 7.657 -1.577 1.00 0.00 C ATOM 971 O GLU A 65 26.428 6.441 -1.759 1.00 0.00 O ATOM 972 CB GLU A 65 27.766 9.292 -0.280 1.00 0.00 C ATOM 973 CG GLU A 65 28.006 10.032 1.025 1.00 0.00 C ATOM 974 CD GLU A 65 27.283 11.362 1.083 1.00 0.00 C ATOM 975 OE1 GLU A 65 27.637 12.265 0.296 1.00 0.00 O ATOM 976 OE2 GLU A 65 26.361 11.502 1.913 1.00 0.00 O ATOM 0 H GLU A 65 28.002 7.023 0.833 1.00 0.00 H new ATOM 0 HA GLU A 65 25.737 8.734 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 28.689 8.799 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 65 27.519 10.015 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 65 27.679 9.409 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 65 29.076 10.198 1.152 1.00 0.00 H new ATOM 983 N GLY A 66 26.111 8.525 -2.545 1.00 0.00 N ATOM 984 CA GLY A 66 25.844 8.069 -3.897 1.00 0.00 C ATOM 985 C GLY A 66 26.423 8.995 -4.947 1.00 0.00 C ATOM 986 O GLY A 66 25.898 10.084 -5.180 1.00 0.00 O ATOM 0 H GLY A 66 26.069 9.536 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 26.260 7.070 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 24.767 7.987 -4.043 1.00 0.00 H new ATOM 990 N LEU A 67 27.507 8.563 -5.584 1.00 0.00 N ATOM 991 CA LEU A 67 28.158 9.361 -6.616 1.00 0.00 C ATOM 992 C LEU A 67 28.289 8.569 -7.914 1.00 0.00 C ATOM 993 O LEU A 67 29.227 8.773 -8.685 1.00 0.00 O ATOM 994 CB LEU A 67 29.538 9.821 -6.139 1.00 0.00 C ATOM 995 CG LEU A 67 29.581 11.231 -5.548 1.00 0.00 C ATOM 996 CD1 LEU A 67 29.340 12.271 -6.632 1.00 0.00 C ATOM 997 CD2 LEU A 67 28.558 11.374 -4.432 1.00 0.00 C ATOM 0 H LEU A 67 27.953 7.664 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 67 27.539 10.237 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.899 9.118 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.230 9.774 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 67 30.572 11.397 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 29.374 13.268 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.111 12.185 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 67 28.362 12.106 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.604 12.384 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.560 11.187 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.777 10.654 -3.644 1.00 0.00 H new ATOM 1009 N SER A 68 27.342 7.668 -8.149 1.00 0.00 N ATOM 1010 CA SER A 68 27.353 6.846 -9.355 1.00 0.00 C ATOM 1011 C SER A 68 25.937 6.641 -9.885 1.00 0.00 C ATOM 1012 O SER A 68 25.065 6.140 -9.176 1.00 0.00 O ATOM 1013 CB SER A 68 28.004 5.492 -9.068 1.00 0.00 C ATOM 1014 OG SER A 68 29.392 5.522 -9.352 1.00 0.00 O ATOM 0 H SER A 68 26.558 7.488 -7.522 1.00 0.00 H new ATOM 0 HA SER A 68 27.935 7.367 -10.116 1.00 0.00 H new ATOM 0 HB2 SER A 68 27.849 5.225 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 27.524 4.720 -9.669 1.00 0.00 H new ATOM 0 HG SER A 68 29.785 4.645 -9.159 1.00 0.00 H new ATOM 1020 N LYS A 69 25.717 7.031 -11.137 1.00 0.00 N ATOM 1021 CA LYS A 69 24.407 6.888 -11.762 1.00 0.00 C ATOM 1022 C LYS A 69 24.160 5.442 -12.182 1.00 0.00 C ATOM 1023 O LYS A 69 24.636 4.999 -13.228 1.00 0.00 O ATOM 1024 CB LYS A 69 24.294 7.812 -12.976 1.00 0.00 C ATOM 1025 CG LYS A 69 22.936 8.485 -13.102 1.00 0.00 C ATOM 1026 CD LYS A 69 23.013 9.743 -13.951 1.00 0.00 C ATOM 1027 CE LYS A 69 22.496 9.499 -15.360 1.00 0.00 C ATOM 1028 NZ LYS A 69 21.019 9.670 -15.446 1.00 0.00 N ATOM 0 H LYS A 69 26.428 7.448 -11.738 1.00 0.00 H new ATOM 0 HA LYS A 69 23.650 7.169 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 25.066 8.579 -12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 69 24.491 7.236 -13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.224 7.789 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.560 8.737 -12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.431 10.536 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 69 24.045 10.090 -13.996 1.00 0.00 H new ATOM 0 HE2 LYS A 69 22.982 10.189 -16.050 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.764 8.491 -15.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.706 9.495 -16.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.554 8.995 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.765 10.640 -15.169 1.00 0.00 H new ATOM 1042 N GLU A 70 23.414 4.712 -11.360 1.00 0.00 N ATOM 1043 CA GLU A 70 23.104 3.316 -11.646 1.00 0.00 C ATOM 1044 C GLU A 70 22.112 2.758 -10.628 1.00 0.00 C ATOM 1045 O GLU A 70 22.508 2.251 -9.578 1.00 0.00 O ATOM 1046 CB GLU A 70 24.385 2.478 -11.645 1.00 0.00 C ATOM 1047 CG GLU A 70 24.550 1.620 -12.889 1.00 0.00 C ATOM 1048 CD GLU A 70 23.442 0.597 -13.043 1.00 0.00 C ATOM 1049 OE1 GLU A 70 22.348 0.974 -13.514 1.00 0.00 O ATOM 1050 OE2 GLU A 70 23.667 -0.580 -12.692 1.00 0.00 O ATOM 0 H GLU A 70 23.013 5.064 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 70 22.647 3.265 -12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 25.244 3.143 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 70 24.387 1.833 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 70 24.571 2.263 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.510 1.106 -12.847 1.00 0.00 H new ATOM 1057 N PRO A 71 20.803 2.846 -10.924 1.00 0.00 N ATOM 1058 CA PRO A 71 19.756 2.347 -10.026 1.00 0.00 C ATOM 1059 C PRO A 71 19.767 0.827 -9.911 1.00 0.00 C ATOM 1060 O PRO A 71 19.318 0.122 -10.815 1.00 0.00 O ATOM 1061 CB PRO A 71 18.459 2.824 -10.685 1.00 0.00 C ATOM 1062 CG PRO A 71 18.804 2.998 -12.123 1.00 0.00 C ATOM 1063 CD PRO A 71 20.241 3.437 -12.154 1.00 0.00 C ATOM 0 HA PRO A 71 19.889 2.711 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 71 17.659 2.096 -10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 71 18.113 3.759 -10.245 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.669 2.066 -12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.159 3.741 -12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.753 3.074 -13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.330 4.523 -12.155 1.00 0.00 H new ATOM 1071 N ALA A 72 20.285 0.328 -8.794 1.00 0.00 N ATOM 1072 CA ALA A 72 20.355 -1.110 -8.559 1.00 0.00 C ATOM 1073 C ALA A 72 19.846 -1.464 -7.166 1.00 0.00 C ATOM 1074 O ALA A 72 19.061 -2.399 -7.000 1.00 0.00 O ATOM 1075 CB ALA A 72 21.782 -1.604 -8.742 1.00 0.00 C ATOM 0 H ALA A 72 20.663 0.898 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 72 19.713 -1.605 -9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 72 21.821 -2.679 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.113 -1.393 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 72 22.437 -1.095 -8.035 1.00 0.00 H new ATOM 1081 N GLY A 73 20.296 -0.711 -6.168 1.00 0.00 N ATOM 1082 CA GLY A 73 19.874 -0.961 -4.802 1.00 0.00 C ATOM 1083 C GLY A 73 20.306 0.138 -3.852 1.00 0.00 C ATOM 1084 O GLY A 73 20.520 1.277 -4.266 1.00 0.00 O ATOM 0 H GLY A 73 20.945 0.068 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.789 -1.057 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.288 -1.912 -4.465 1.00 0.00 H new ATOM 1088 N SER A 74 20.432 -0.203 -2.573 1.00 0.00 N ATOM 1089 CA SER A 74 20.841 0.763 -1.561 1.00 0.00 C ATOM 1090 C SER A 74 19.846 1.916 -1.476 1.00 0.00 C ATOM 1091 O SER A 74 18.842 1.936 -2.188 1.00 0.00 O ATOM 1092 CB SER A 74 22.239 1.302 -1.874 1.00 0.00 C ATOM 1093 OG SER A 74 23.241 0.382 -1.478 1.00 0.00 O ATOM 0 H SER A 74 20.257 -1.141 -2.214 1.00 0.00 H new ATOM 0 HA SER A 74 20.863 0.254 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.325 1.500 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.389 2.252 -1.360 1.00 0.00 H new ATOM 0 HG SER A 74 24.124 0.749 -1.690 1.00 0.00 H new ATOM 1099 N ASP A 75 20.132 2.875 -0.600 1.00 0.00 N ATOM 1100 CA ASP A 75 19.262 4.031 -0.422 1.00 0.00 C ATOM 1101 C ASP A 75 19.903 5.288 -1.002 1.00 0.00 C ATOM 1102 O ASP A 75 21.111 5.329 -1.237 1.00 0.00 O ATOM 1103 CB ASP A 75 18.954 4.240 1.062 1.00 0.00 C ATOM 1104 CG ASP A 75 18.512 2.961 1.746 1.00 0.00 C ATOM 1105 OD1 ASP A 75 19.388 2.206 2.215 1.00 0.00 O ATOM 1106 OD2 ASP A 75 17.289 2.717 1.813 1.00 0.00 O ATOM 0 H ASP A 75 20.959 2.874 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 75 18.331 3.840 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.840 4.629 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.173 4.993 1.166 1.00 0.00 H new ATOM 1111 N GLU A 76 19.085 6.311 -1.232 1.00 0.00 N ATOM 1112 CA GLU A 76 19.573 7.569 -1.785 1.00 0.00 C ATOM 1113 C GLU A 76 19.863 8.574 -0.674 1.00 0.00 C ATOM 1114 O GLU A 76 19.675 8.281 0.507 1.00 0.00 O ATOM 1115 CB GLU A 76 18.550 8.149 -2.766 1.00 0.00 C ATOM 1116 CG GLU A 76 19.103 8.361 -4.165 1.00 0.00 C ATOM 1117 CD GLU A 76 18.144 7.903 -5.247 1.00 0.00 C ATOM 1118 OE1 GLU A 76 17.397 6.931 -5.006 1.00 0.00 O ATOM 1119 OE2 GLU A 76 18.141 8.516 -6.335 1.00 0.00 O ATOM 0 H GLU A 76 18.083 6.293 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 76 20.502 7.369 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 76 17.692 7.480 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 76 18.187 9.101 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.327 9.418 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.044 7.820 -4.266 1.00 0.00 H new ATOM 1126 N GLN A 77 20.321 9.761 -1.061 1.00 0.00 N ATOM 1127 CA GLN A 77 20.637 10.809 -0.098 1.00 0.00 C ATOM 1128 C GLN A 77 19.362 11.446 0.450 1.00 0.00 C ATOM 1129 O GLN A 77 18.795 12.349 -0.164 1.00 0.00 O ATOM 1130 CB GLN A 77 21.519 11.878 -0.748 1.00 0.00 C ATOM 1131 CG GLN A 77 22.739 12.245 0.082 1.00 0.00 C ATOM 1132 CD GLN A 77 22.421 13.248 1.173 1.00 0.00 C ATOM 1133 OE1 GLN A 77 21.594 12.841 2.130 1.00 0.00 O flip ATOM 1134 NE2 GLN A 77 22.913 14.376 1.158 1.00 0.00 N flip ATOM 0 H GLN A 77 20.481 10.020 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 77 21.180 10.356 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 77 21.847 11.522 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.923 12.774 -0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 77 23.152 11.343 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 77 23.508 12.656 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 77 23.544 14.647 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 77 22.690 15.040 1.900 1.00 0.00 H new ATOM 1143 N LYS A 78 18.920 10.967 1.608 1.00 0.00 N ATOM 1144 CA LYS A 78 17.714 11.488 2.240 1.00 0.00 C ATOM 1145 C LYS A 78 16.496 11.297 1.339 1.00 0.00 C ATOM 1146 O LYS A 78 15.512 12.028 1.449 1.00 0.00 O ATOM 1147 CB LYS A 78 17.887 12.971 2.573 1.00 0.00 C ATOM 1148 CG LYS A 78 16.814 13.517 3.501 1.00 0.00 C ATOM 1149 CD LYS A 78 17.375 14.569 4.444 1.00 0.00 C ATOM 1150 CE LYS A 78 17.775 13.962 5.778 1.00 0.00 C ATOM 1151 NZ LYS A 78 18.678 14.862 6.549 1.00 0.00 N ATOM 0 H LYS A 78 19.379 10.219 2.128 1.00 0.00 H new ATOM 0 HA LYS A 78 17.551 10.931 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.864 13.119 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.881 13.546 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.007 13.950 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.383 12.701 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.241 15.046 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.631 15.349 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.881 13.755 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.273 13.007 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.928 14.412 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.543 15.039 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.194 15.764 6.734 1.00 0.00 H new ATOM 1165 N GLN A 79 16.568 10.310 0.451 1.00 0.00 N ATOM 1166 CA GLN A 79 15.470 10.023 -0.466 1.00 0.00 C ATOM 1167 C GLN A 79 15.217 11.202 -1.402 1.00 0.00 C ATOM 1168 O GLN A 79 15.037 12.335 -0.956 1.00 0.00 O ATOM 1169 CB GLN A 79 14.196 9.693 0.316 1.00 0.00 C ATOM 1170 CG GLN A 79 13.470 8.461 -0.198 1.00 0.00 C ATOM 1171 CD GLN A 79 14.166 7.170 0.187 1.00 0.00 C ATOM 1172 OE1 GLN A 79 15.297 7.183 0.673 1.00 0.00 O ATOM 1173 NE2 GLN A 79 13.491 6.047 -0.029 1.00 0.00 N ATOM 0 H GLN A 79 17.375 9.695 0.347 1.00 0.00 H new ATOM 0 HA GLN A 79 15.751 9.160 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 79 14.452 9.543 1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.521 10.547 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.453 8.453 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.391 8.517 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.556 6.084 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.908 5.147 0.210 1.00 0.00 H new ATOM 1182 N LEU A 80 15.205 10.926 -2.702 1.00 0.00 N ATOM 1183 CA LEU A 80 14.972 11.963 -3.701 1.00 0.00 C ATOM 1184 C LEU A 80 13.555 11.874 -4.256 1.00 0.00 C ATOM 1185 O LEU A 80 13.059 10.786 -4.547 1.00 0.00 O ATOM 1186 CB LEU A 80 15.990 11.843 -4.838 1.00 0.00 C ATOM 1187 CG LEU A 80 17.226 12.733 -4.696 1.00 0.00 C ATOM 1188 CD1 LEU A 80 18.426 12.091 -5.375 1.00 0.00 C ATOM 1189 CD2 LEU A 80 16.958 14.113 -5.277 1.00 0.00 C ATOM 0 H LEU A 80 15.354 9.994 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 80 15.092 12.933 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.315 10.805 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.493 12.085 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 80 17.451 12.844 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.296 12.738 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.631 11.125 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.212 11.949 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.848 14.733 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.708 14.021 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.126 14.576 -4.746 1.00 0.00 H new ATOM 1201 N ARG A 81 12.907 13.026 -4.399 1.00 0.00 N ATOM 1202 CA ARG A 81 11.545 13.077 -4.919 1.00 0.00 C ATOM 1203 C ARG A 81 11.103 14.521 -5.142 1.00 0.00 C ATOM 1204 O ARG A 81 9.957 14.880 -4.870 1.00 0.00 O ATOM 1205 CB ARG A 81 10.585 12.375 -3.955 1.00 0.00 C ATOM 1206 CG ARG A 81 10.265 10.942 -4.350 1.00 0.00 C ATOM 1207 CD ARG A 81 8.837 10.571 -3.984 1.00 0.00 C ATOM 1208 NE ARG A 81 7.858 11.376 -4.710 1.00 0.00 N ATOM 1209 CZ ARG A 81 6.592 11.529 -4.327 1.00 0.00 C ATOM 1210 NH1 ARG A 81 6.147 10.933 -3.228 1.00 0.00 N ATOM 1211 NH2 ARG A 81 5.769 12.281 -5.046 1.00 0.00 N ATOM 0 H ARG A 81 13.303 13.936 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 81 11.526 12.560 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.020 12.379 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.657 12.944 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.411 10.818 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.958 10.263 -3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.670 9.516 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.692 10.704 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 81 8.162 11.849 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.776 10.354 -2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.176 11.054 -2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.106 12.741 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.799 12.399 -4.753 1.00 0.00 H new ATOM 1225 N ALA A 82 12.019 15.347 -5.637 1.00 0.00 N ATOM 1226 CA ALA A 82 11.720 16.750 -5.895 1.00 0.00 C ATOM 1227 C ALA A 82 12.254 17.191 -7.254 1.00 0.00 C ATOM 1228 O ALA A 82 12.579 18.362 -7.453 1.00 0.00 O ATOM 1229 CB ALA A 82 12.300 17.622 -4.792 1.00 0.00 C ATOM 0 H ALA A 82 12.973 15.069 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 82 10.636 16.866 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.070 18.668 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.865 17.335 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.381 17.489 -4.754 1.00 0.00 H new ATOM 1235 N ASP A 83 12.343 16.249 -8.187 1.00 0.00 N ATOM 1236 CA ASP A 83 12.838 16.550 -9.527 1.00 0.00 C ATOM 1237 C ASP A 83 11.691 16.942 -10.458 1.00 0.00 C ATOM 1238 O ASP A 83 11.743 17.987 -11.106 1.00 0.00 O ATOM 1239 CB ASP A 83 13.596 15.348 -10.098 1.00 0.00 C ATOM 1240 CG ASP A 83 15.001 15.708 -10.542 1.00 0.00 C ATOM 1241 OD1 ASP A 83 15.862 15.928 -9.665 1.00 0.00 O ATOM 1242 OD2 ASP A 83 15.238 15.770 -11.767 1.00 0.00 O ATOM 0 H ASP A 83 12.080 15.274 -8.042 1.00 0.00 H new ATOM 0 HA ASP A 83 13.522 17.395 -9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.646 14.562 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.043 14.942 -10.945 1.00 0.00 H new ATOM 1247 N PRO A 84 10.637 16.110 -10.538 1.00 0.00 N ATOM 1248 CA PRO A 84 9.480 16.375 -11.393 1.00 0.00 C ATOM 1249 C PRO A 84 8.547 17.424 -10.786 1.00 0.00 C ATOM 1250 O PRO A 84 7.929 17.184 -9.750 1.00 0.00 O ATOM 1251 CB PRO A 84 8.764 15.015 -11.482 1.00 0.00 C ATOM 1252 CG PRO A 84 9.633 14.039 -10.752 1.00 0.00 C ATOM 1253 CD PRO A 84 10.480 14.847 -9.812 1.00 0.00 C ATOM 0 HA PRO A 84 9.778 16.773 -12.363 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.773 15.066 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.627 14.714 -12.521 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.029 13.314 -10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.254 13.476 -11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.993 14.991 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.440 14.369 -9.616 1.00 0.00 H new ATOM 1261 N PRO A 85 8.430 18.603 -11.424 1.00 0.00 N ATOM 1262 CA PRO A 85 7.563 19.679 -10.931 1.00 0.00 C ATOM 1263 C PRO A 85 6.144 19.195 -10.647 1.00 0.00 C ATOM 1264 O PRO A 85 5.290 19.189 -11.533 1.00 0.00 O ATOM 1265 CB PRO A 85 7.562 20.689 -12.081 1.00 0.00 C ATOM 1266 CG PRO A 85 8.849 20.454 -12.791 1.00 0.00 C ATOM 1267 CD PRO A 85 9.127 18.981 -12.668 1.00 0.00 C ATOM 0 HA PRO A 85 7.919 20.089 -9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.710 20.534 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.495 21.712 -11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.778 20.752 -13.837 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.653 21.041 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.746 18.427 -13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.196 18.778 -12.607 1.00 0.00 H new ATOM 1275 N SER A 86 5.900 18.787 -9.405 1.00 0.00 N ATOM 1276 CA SER A 86 4.585 18.299 -9.005 1.00 0.00 C ATOM 1277 C SER A 86 4.103 18.999 -7.738 1.00 0.00 C ATOM 1278 O SER A 86 4.904 19.516 -6.960 1.00 0.00 O ATOM 1279 CB SER A 86 4.627 16.786 -8.781 1.00 0.00 C ATOM 1280 OG SER A 86 5.344 16.465 -7.599 1.00 0.00 O ATOM 0 H SER A 86 6.596 18.785 -8.659 1.00 0.00 H new ATOM 0 HA SER A 86 3.884 18.523 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.611 16.397 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.096 16.301 -9.637 1.00 0.00 H new ATOM 0 HG SER A 86 5.355 15.493 -7.477 1.00 0.00 H new ATOM 1286 N THR A 87 2.789 19.011 -7.538 1.00 0.00 N ATOM 1287 CA THR A 87 2.197 19.646 -6.367 1.00 0.00 C ATOM 1288 C THR A 87 0.679 19.488 -6.372 1.00 0.00 C ATOM 1289 O THR A 87 0.021 19.751 -7.379 1.00 0.00 O ATOM 1290 CB THR A 87 2.564 21.131 -6.323 1.00 0.00 C ATOM 1291 OG1 THR A 87 1.837 21.798 -5.307 1.00 0.00 O ATOM 1292 CG2 THR A 87 2.299 21.853 -7.626 1.00 0.00 C ATOM 0 H THR A 87 2.113 18.587 -8.173 1.00 0.00 H new ATOM 0 HA THR A 87 2.595 19.154 -5.479 1.00 0.00 H new ATOM 0 HB THR A 87 3.635 21.157 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.075 22.749 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.581 22.901 -7.525 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.885 21.394 -8.422 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.239 21.785 -7.871 1.00 0.00 H new ATOM 1300 N ASP A 88 0.130 19.054 -5.242 1.00 0.00 N ATOM 1301 CA ASP A 88 -1.311 18.859 -5.118 1.00 0.00 C ATOM 1302 C ASP A 88 -1.770 19.079 -3.680 1.00 0.00 C ATOM 1303 O ASP A 88 -0.970 19.412 -2.806 1.00 0.00 O ATOM 1304 CB ASP A 88 -1.699 17.453 -5.580 1.00 0.00 C ATOM 1305 CG ASP A 88 -1.593 17.287 -7.083 1.00 0.00 C ATOM 1306 OD1 ASP A 88 -2.319 17.997 -7.811 1.00 0.00 O ATOM 1307 OD2 ASP A 88 -0.785 16.448 -7.532 1.00 0.00 O ATOM 0 H ASP A 88 0.660 18.831 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.806 19.593 -5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.055 16.722 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.720 17.239 -5.265 1.00 0.00 H new ATOM 1312 N LEU A 89 -3.064 18.890 -3.443 1.00 0.00 N ATOM 1313 CA LEU A 89 -3.633 19.067 -2.112 1.00 0.00 C ATOM 1314 C LEU A 89 -4.287 17.779 -1.625 1.00 0.00 C ATOM 1315 O LEU A 89 -4.020 17.316 -0.515 1.00 0.00 O ATOM 1316 CB LEU A 89 -4.661 20.201 -2.122 1.00 0.00 C ATOM 1317 CG LEU A 89 -5.370 20.444 -0.790 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -4.458 21.190 0.172 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -6.663 21.215 -1.010 1.00 0.00 C ATOM 0 H LEU A 89 -3.739 18.614 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.824 19.324 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.161 21.121 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.412 19.983 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.616 19.478 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.980 21.354 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.559 20.600 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.180 22.151 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.156 21.380 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.439 22.176 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.322 20.642 -1.663 1.00 0.00 H new ATOM 1331 N ASN A 90 -5.148 17.205 -2.460 1.00 0.00 N ATOM 1332 CA ASN A 90 -5.849 15.971 -2.118 1.00 0.00 C ATOM 1333 C ASN A 90 -4.890 14.903 -1.585 1.00 0.00 C ATOM 1334 O ASN A 90 -5.278 14.064 -0.773 1.00 0.00 O ATOM 1335 CB ASN A 90 -6.595 15.433 -3.339 1.00 0.00 C ATOM 1336 CG ASN A 90 -7.907 14.768 -2.970 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -8.732 15.346 -2.262 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -8.105 13.545 -3.448 1.00 0.00 N ATOM 0 H ASN A 90 -5.378 17.576 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.562 16.206 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.788 16.251 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.962 14.716 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.968 13.047 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.394 13.104 -4.031 1.00 0.00 H new ATOM 1345 N THR A 91 -3.643 14.929 -2.052 1.00 0.00 N ATOM 1346 CA THR A 91 -2.646 13.952 -1.621 1.00 0.00 C ATOM 1347 C THR A 91 -2.364 14.032 -0.115 1.00 0.00 C ATOM 1348 O THR A 91 -1.740 13.131 0.444 1.00 0.00 O ATOM 1349 CB THR A 91 -1.346 14.155 -2.399 1.00 0.00 C ATOM 1350 OG1 THR A 91 -0.347 13.255 -1.950 1.00 0.00 O ATOM 1351 CG2 THR A 91 -0.789 15.556 -2.278 1.00 0.00 C ATOM 0 H THR A 91 -3.300 15.613 -2.726 1.00 0.00 H new ATOM 0 HA THR A 91 -3.054 12.962 -1.827 1.00 0.00 H new ATOM 0 HB THR A 91 -1.602 13.972 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.604 12.890 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.133 15.632 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.516 16.271 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.582 15.776 -1.231 1.00 0.00 H new ATOM 1359 N PHE A 92 -2.819 15.100 0.541 1.00 0.00 N ATOM 1360 CA PHE A 92 -2.599 15.259 1.974 1.00 0.00 C ATOM 1361 C PHE A 92 -3.900 15.053 2.747 1.00 0.00 C ATOM 1362 O PHE A 92 -4.988 15.148 2.180 1.00 0.00 O ATOM 1363 CB PHE A 92 -2.018 16.644 2.270 1.00 0.00 C ATOM 1364 CG PHE A 92 -0.698 16.900 1.596 1.00 0.00 C ATOM 1365 CD1 PHE A 92 0.242 15.887 1.473 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -0.396 18.153 1.089 1.00 0.00 C ATOM 1367 CE1 PHE A 92 1.455 16.120 0.854 1.00 0.00 C ATOM 1368 CE2 PHE A 92 0.816 18.392 0.470 1.00 0.00 C ATOM 1369 CZ PHE A 92 1.743 17.374 0.353 1.00 0.00 C ATOM 0 H PHE A 92 -3.338 15.862 0.104 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.885 14.502 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.732 17.404 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.894 16.754 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.023 14.905 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.116 18.953 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.177 15.322 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.039 19.373 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.691 17.559 -0.130 1.00 0.00 H new ATOM 1379 N THR A 93 -3.783 14.760 4.040 1.00 0.00 N ATOM 1380 CA THR A 93 -4.957 14.530 4.876 1.00 0.00 C ATOM 1381 C THR A 93 -5.049 15.554 6.015 1.00 0.00 C ATOM 1382 O THR A 93 -5.538 16.666 5.814 1.00 0.00 O ATOM 1383 CB THR A 93 -4.941 13.099 5.427 1.00 0.00 C ATOM 1384 OG1 THR A 93 -5.033 12.158 4.372 1.00 0.00 O ATOM 1385 CG2 THR A 93 -6.070 12.813 6.394 1.00 0.00 C ATOM 0 H THR A 93 -2.892 14.677 4.529 1.00 0.00 H new ATOM 0 HA THR A 93 -5.844 14.657 4.255 1.00 0.00 H new ATOM 0 HB THR A 93 -3.996 13.007 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.020 11.250 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.997 11.783 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.001 13.491 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.026 12.958 5.891 1.00 0.00 H new ATOM 1393 N VAL A 94 -4.590 15.177 7.211 1.00 0.00 N ATOM 1394 CA VAL A 94 -4.643 16.071 8.362 1.00 0.00 C ATOM 1395 C VAL A 94 -3.364 15.986 9.191 1.00 0.00 C ATOM 1396 O VAL A 94 -2.725 16.996 9.482 1.00 0.00 O ATOM 1397 CB VAL A 94 -5.846 15.746 9.268 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -6.009 16.810 10.344 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -7.115 15.613 8.440 1.00 0.00 C ATOM 0 H VAL A 94 -4.180 14.263 7.404 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.750 17.082 7.969 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.660 14.792 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.864 16.563 10.974 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.108 16.850 10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.173 17.780 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.955 15.383 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.308 16.550 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.992 14.810 7.713 1.00 0.00 H new ATOM 1409 N GLU A 95 -3.004 14.767 9.569 1.00 0.00 N ATOM 1410 CA GLU A 95 -1.811 14.519 10.369 1.00 0.00 C ATOM 1411 C GLU A 95 -0.532 14.700 9.552 1.00 0.00 C ATOM 1412 O GLU A 95 0.549 14.875 10.114 1.00 0.00 O ATOM 1413 CB GLU A 95 -1.854 13.107 10.955 1.00 0.00 C ATOM 1414 CG GLU A 95 -1.958 12.015 9.902 1.00 0.00 C ATOM 1415 CD GLU A 95 -2.981 10.954 10.261 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -3.997 11.301 10.899 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -2.766 9.778 9.904 1.00 0.00 O ATOM 0 H GLU A 95 -3.528 13.925 9.331 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.800 15.251 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.956 12.942 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.704 13.029 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.225 12.463 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.983 11.545 9.773 1.00 0.00 H new ATOM 1424 N GLN A 96 -0.654 14.639 8.230 1.00 0.00 N ATOM 1425 CA GLN A 96 0.501 14.776 7.353 1.00 0.00 C ATOM 1426 C GLN A 96 0.867 16.235 7.165 1.00 0.00 C ATOM 1427 O GLN A 96 2.044 16.585 7.084 1.00 0.00 O ATOM 1428 CB GLN A 96 0.214 14.127 5.996 1.00 0.00 C ATOM 1429 CG GLN A 96 0.693 12.687 5.898 1.00 0.00 C ATOM 1430 CD GLN A 96 0.283 12.023 4.598 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -0.873 12.113 4.179 1.00 0.00 O ATOM 1432 NE2 GLN A 96 1.229 11.352 3.952 1.00 0.00 N ATOM 0 H GLN A 96 -1.539 14.496 7.744 1.00 0.00 H new ATOM 0 HA GLN A 96 1.345 14.268 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.859 14.158 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.693 14.715 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.779 12.662 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.291 12.117 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.173 11.304 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.012 10.885 3.072 1.00 0.00 H new ATOM 1441 N LEU A 97 -0.146 17.084 7.105 1.00 0.00 N ATOM 1442 CA LEU A 97 0.080 18.511 6.935 1.00 0.00 C ATOM 1443 C LEU A 97 0.837 19.061 8.127 1.00 0.00 C ATOM 1444 O LEU A 97 1.923 19.623 7.991 1.00 0.00 O ATOM 1445 CB LEU A 97 -1.233 19.286 6.783 1.00 0.00 C ATOM 1446 CG LEU A 97 -2.489 18.469 6.482 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -3.660 18.993 7.294 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -2.797 18.522 4.997 1.00 0.00 C ATOM 0 H LEU A 97 -1.127 16.813 7.171 1.00 0.00 H new ATOM 0 HA LEU A 97 0.662 18.638 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.405 19.845 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.105 20.017 5.985 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.316 17.430 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.550 18.404 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.430 18.916 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.843 20.037 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.693 17.937 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.961 19.557 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.958 18.110 4.436 1.00 0.00 H new ATOM 1460 N LYS A 98 0.245 18.888 9.298 1.00 0.00 N ATOM 1461 CA LYS A 98 0.848 19.362 10.538 1.00 0.00 C ATOM 1462 C LYS A 98 2.259 18.809 10.716 1.00 0.00 C ATOM 1463 O LYS A 98 3.130 19.482 11.268 1.00 0.00 O ATOM 1464 CB LYS A 98 -0.026 18.971 11.731 1.00 0.00 C ATOM 1465 CG LYS A 98 -0.174 17.469 11.913 1.00 0.00 C ATOM 1466 CD LYS A 98 -1.293 17.134 12.888 1.00 0.00 C ATOM 1467 CE LYS A 98 -2.623 17.727 12.444 1.00 0.00 C ATOM 1468 NZ LYS A 98 -3.730 16.734 12.528 1.00 0.00 N ATOM 0 H LYS A 98 -0.654 18.422 9.418 1.00 0.00 H new ATOM 0 HA LYS A 98 0.917 20.448 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.401 19.398 12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.015 19.412 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.378 17.003 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.765 17.051 12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.388 16.052 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.038 17.512 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.861 18.590 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.536 18.087 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.644 17.227 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.649 16.056 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.671 16.224 13.433 1.00 0.00 H new ATOM 1482 N ALA A 99 2.485 17.586 10.245 1.00 0.00 N ATOM 1483 CA ALA A 99 3.800 16.966 10.358 1.00 0.00 C ATOM 1484 C ALA A 99 4.711 17.383 9.215 1.00 0.00 C ATOM 1485 O ALA A 99 5.936 17.319 9.323 1.00 0.00 O ATOM 1486 CB ALA A 99 3.672 15.451 10.416 1.00 0.00 C ATOM 0 H ALA A 99 1.781 17.009 9.785 1.00 0.00 H new ATOM 0 HA ALA A 99 4.253 17.313 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.663 15.005 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.073 15.169 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.188 15.092 9.508 1.00 0.00 H new ATOM 1492 N GLN A 100 4.103 17.815 8.128 1.00 0.00 N ATOM 1493 CA GLN A 100 4.850 18.253 6.956 1.00 0.00 C ATOM 1494 C GLN A 100 5.218 19.727 7.063 1.00 0.00 C ATOM 1495 O GLN A 100 6.297 20.137 6.639 1.00 0.00 O ATOM 1496 CB GLN A 100 4.044 18.008 5.680 1.00 0.00 C ATOM 1497 CG GLN A 100 4.237 16.619 5.096 1.00 0.00 C ATOM 1498 CD GLN A 100 4.056 16.590 3.591 1.00 0.00 C ATOM 1499 OE1 GLN A 100 5.165 16.567 2.861 1.00 0.00 O flip ATOM 1500 NE2 GLN A 100 2.932 16.589 3.090 1.00 0.00 N flip ATOM 0 H GLN A 100 3.090 17.874 8.028 1.00 0.00 H new ATOM 0 HA GLN A 100 5.769 17.669 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.986 18.159 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.327 18.750 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.235 16.259 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.527 15.933 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.107 16.607 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.826 16.570 2.076 1.00 0.00 H new ATOM 1509 N LEU A 101 4.315 20.522 7.628 1.00 0.00 N ATOM 1510 CA LEU A 101 4.555 21.950 7.780 1.00 0.00 C ATOM 1511 C LEU A 101 5.799 22.185 8.619 1.00 0.00 C ATOM 1512 O LEU A 101 6.678 22.966 8.252 1.00 0.00 O ATOM 1513 CB LEU A 101 3.361 22.638 8.449 1.00 0.00 C ATOM 1514 CG LEU A 101 2.277 23.175 7.507 1.00 0.00 C ATOM 1515 CD1 LEU A 101 1.292 24.039 8.278 1.00 0.00 C ATOM 1516 CD2 LEU A 101 2.888 23.963 6.354 1.00 0.00 C ATOM 0 H LEU A 101 3.415 20.202 7.986 1.00 0.00 H new ATOM 0 HA LEU A 101 4.696 22.374 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.898 21.930 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.735 23.467 9.050 1.00 0.00 H new ATOM 0 HG LEU A 101 1.744 22.323 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.527 24.414 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.821 23.444 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.820 24.879 8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.094 24.331 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.453 24.807 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.554 23.316 5.783 1.00 0.00 H new ATOM 1528 N THR A 102 5.861 21.497 9.752 1.00 0.00 N ATOM 1529 CA THR A 102 6.991 21.620 10.657 1.00 0.00 C ATOM 1530 C THR A 102 8.247 21.048 10.024 1.00 0.00 C ATOM 1531 O THR A 102 9.343 21.583 10.197 1.00 0.00 O ATOM 1532 CB THR A 102 6.697 20.904 11.976 1.00 0.00 C ATOM 1533 OG1 THR A 102 5.597 20.021 11.837 1.00 0.00 O ATOM 1534 CG2 THR A 102 6.382 21.858 13.102 1.00 0.00 C ATOM 0 H THR A 102 5.139 20.847 10.064 1.00 0.00 H new ATOM 0 HA THR A 102 7.154 22.679 10.859 1.00 0.00 H new ATOM 0 HB THR A 102 7.607 20.356 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.761 20.530 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.182 21.293 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.232 22.521 13.266 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.505 22.450 12.842 1.00 0.00 H new ATOM 1542 N GLU A 103 8.083 19.959 9.286 1.00 0.00 N ATOM 1543 CA GLU A 103 9.209 19.320 8.624 1.00 0.00 C ATOM 1544 C GLU A 103 9.544 20.015 7.307 1.00 0.00 C ATOM 1545 O GLU A 103 10.543 19.696 6.663 1.00 0.00 O ATOM 1546 CB GLU A 103 8.923 17.837 8.382 1.00 0.00 C ATOM 1547 CG GLU A 103 10.134 16.941 8.594 1.00 0.00 C ATOM 1548 CD GLU A 103 10.502 16.150 7.354 1.00 0.00 C ATOM 1549 OE1 GLU A 103 9.605 15.502 6.775 1.00 0.00 O ATOM 1550 OE2 GLU A 103 11.688 16.179 6.961 1.00 0.00 O ATOM 0 H GLU A 103 7.184 19.502 9.132 1.00 0.00 H new ATOM 0 HA GLU A 103 10.073 19.407 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.123 17.516 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.559 17.707 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.985 17.552 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.931 16.251 9.413 1.00 0.00 H new ATOM 1557 N ARG A 104 8.705 20.965 6.918 1.00 0.00 N ATOM 1558 CA ARG A 104 8.911 21.709 5.680 1.00 0.00 C ATOM 1559 C ARG A 104 9.536 23.075 5.955 1.00 0.00 C ATOM 1560 O ARG A 104 10.042 23.728 5.042 1.00 0.00 O ATOM 1561 CB ARG A 104 7.583 21.882 4.940 1.00 0.00 C ATOM 1562 CG ARG A 104 7.711 22.647 3.632 1.00 0.00 C ATOM 1563 CD ARG A 104 6.408 22.636 2.847 1.00 0.00 C ATOM 1564 NE ARG A 104 6.531 21.894 1.594 1.00 0.00 N ATOM 1565 CZ ARG A 104 7.118 22.377 0.501 1.00 0.00 C ATOM 1566 NH1 ARG A 104 7.634 23.600 0.502 1.00 0.00 N ATOM 1567 NH2 ARG A 104 7.187 21.636 -0.596 1.00 0.00 N ATOM 0 H ARG A 104 7.874 21.240 7.441 1.00 0.00 H new ATOM 0 HA ARG A 104 9.599 21.139 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.159 20.899 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.880 22.404 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.003 23.677 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.504 22.206 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.621 22.191 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 104 6.105 23.661 2.633 1.00 0.00 H new ATOM 0 HE ARG A 104 6.145 20.951 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.582 24.175 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 104 8.083 23.965 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.790 20.696 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.637 22.006 -1.434 1.00 0.00 H new ATOM 1581 N GLY A 105 9.503 23.503 7.215 1.00 0.00 N ATOM 1582 CA GLY A 105 10.075 24.788 7.575 1.00 0.00 C ATOM 1583 C GLY A 105 9.040 25.778 8.079 1.00 0.00 C ATOM 1584 O GLY A 105 9.382 26.893 8.469 1.00 0.00 O ATOM 0 H GLY A 105 9.091 22.984 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.833 24.639 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.581 25.210 6.707 1.00 0.00 H new ATOM 1588 N ILE A 106 7.771 25.377 8.070 1.00 0.00 N ATOM 1589 CA ILE A 106 6.695 26.246 8.531 1.00 0.00 C ATOM 1590 C ILE A 106 6.110 25.745 9.846 1.00 0.00 C ATOM 1591 O ILE A 106 5.045 25.128 9.870 1.00 0.00 O ATOM 1592 CB ILE A 106 5.569 26.351 7.484 1.00 0.00 C ATOM 1593 CG1 ILE A 106 6.149 26.674 6.105 1.00 0.00 C ATOM 1594 CG2 ILE A 106 4.555 27.407 7.900 1.00 0.00 C ATOM 1595 CD1 ILE A 106 5.652 25.754 5.011 1.00 0.00 C ATOM 0 H ILE A 106 7.465 24.458 7.749 1.00 0.00 H new ATOM 0 HA ILE A 106 7.129 27.234 8.684 1.00 0.00 H new ATOM 0 HB ILE A 106 5.059 25.389 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.898 27.703 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.236 26.614 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.766 27.469 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.121 27.135 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.051 28.374 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.104 26.041 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.926 24.726 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.567 25.832 4.935 1.00 0.00 H new ATOM 1607 N THR A 107 6.814 26.014 10.941 1.00 0.00 N ATOM 1608 CA THR A 107 6.366 25.591 12.262 1.00 0.00 C ATOM 1609 C THR A 107 5.341 26.567 12.828 1.00 0.00 C ATOM 1610 O THR A 107 5.696 27.542 13.491 1.00 0.00 O ATOM 1611 CB THR A 107 7.557 25.474 13.214 1.00 0.00 C ATOM 1612 OG1 THR A 107 7.119 25.213 14.535 1.00 0.00 O ATOM 1613 CG2 THR A 107 8.416 26.720 13.251 1.00 0.00 C ATOM 0 H THR A 107 7.698 26.523 10.939 1.00 0.00 H new ATOM 0 HA THR A 107 5.893 24.614 12.162 1.00 0.00 H new ATOM 0 HB THR A 107 8.157 24.650 12.828 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.895 25.140 15.129 1.00 0.00 H new ATOM 0 HG21 THR A 107 9.243 26.571 13.945 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.810 26.920 12.255 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.814 27.567 13.580 1.00 0.00 H new ATOM 1621 N PHE A 108 4.066 26.298 12.562 1.00 0.00 N ATOM 1622 CA PHE A 108 2.985 27.152 13.046 1.00 0.00 C ATOM 1623 C PHE A 108 3.056 27.323 14.561 1.00 0.00 C ATOM 1624 O PHE A 108 3.965 26.809 15.212 1.00 0.00 O ATOM 1625 CB PHE A 108 1.624 26.568 12.651 1.00 0.00 C ATOM 1626 CG PHE A 108 1.503 25.078 12.849 1.00 0.00 C ATOM 1627 CD1 PHE A 108 2.365 24.391 13.695 1.00 0.00 C ATOM 1628 CD2 PHE A 108 0.516 24.362 12.188 1.00 0.00 C ATOM 1629 CE1 PHE A 108 2.244 23.026 13.873 1.00 0.00 C ATOM 1630 CE2 PHE A 108 0.393 22.999 12.364 1.00 0.00 C ATOM 1631 CZ PHE A 108 1.257 22.330 13.207 1.00 0.00 C ATOM 0 H PHE A 108 3.756 25.496 12.014 1.00 0.00 H new ATOM 0 HA PHE A 108 3.101 28.132 12.583 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.847 27.064 13.233 1.00 0.00 H new ATOM 0 HB3 PHE A 108 1.434 26.799 11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.139 24.931 14.220 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.165 24.878 11.527 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.922 22.505 14.533 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.380 22.455 11.842 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.160 21.263 13.345 1.00 0.00 H new ATOM 1641 N LYS A 109 2.089 28.047 15.116 1.00 0.00 N ATOM 1642 CA LYS A 109 2.042 28.284 16.554 1.00 0.00 C ATOM 1643 C LYS A 109 0.599 28.411 17.034 1.00 0.00 C ATOM 1644 O LYS A 109 0.191 27.746 17.986 1.00 0.00 O ATOM 1645 CB LYS A 109 2.826 29.548 16.912 1.00 0.00 C ATOM 1646 CG LYS A 109 4.310 29.301 17.125 1.00 0.00 C ATOM 1647 CD LYS A 109 4.939 30.389 17.980 1.00 0.00 C ATOM 1648 CE LYS A 109 6.186 29.890 18.691 1.00 0.00 C ATOM 1649 NZ LYS A 109 5.913 29.538 20.111 1.00 0.00 N ATOM 0 H LYS A 109 1.328 28.479 14.592 1.00 0.00 H new ATOM 0 HA LYS A 109 2.500 27.431 17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.699 30.282 16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.404 29.983 17.818 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.454 28.332 17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.815 29.258 16.160 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.194 31.243 17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.215 30.739 18.716 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.576 29.016 18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.959 30.657 18.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.789 29.202 20.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.565 30.378 20.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.194 28.788 20.151 1.00 0.00 H new ATOM 1663 N GLN A 110 -0.167 29.269 16.367 1.00 0.00 N ATOM 1664 CA GLN A 110 -1.565 29.481 16.725 1.00 0.00 C ATOM 1665 C GLN A 110 -2.317 30.180 15.594 1.00 0.00 C ATOM 1666 O GLN A 110 -3.268 30.923 15.834 1.00 0.00 O ATOM 1667 CB GLN A 110 -1.663 30.303 18.012 1.00 0.00 C ATOM 1668 CG GLN A 110 -2.151 29.500 19.208 1.00 0.00 C ATOM 1669 CD GLN A 110 -3.294 30.178 19.939 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -3.978 31.039 19.386 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -3.508 29.790 21.192 1.00 0.00 N ATOM 0 H GLN A 110 0.156 29.828 15.577 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.026 28.507 16.891 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -0.684 30.723 18.241 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.339 31.142 17.847 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.473 28.514 18.872 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.323 29.346 19.900 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.917 29.073 21.612 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.263 30.210 21.734 1.00 0.00 H new ATOM 1680 N SER A 111 -1.885 29.935 14.361 1.00 0.00 N ATOM 1681 CA SER A 111 -2.520 30.540 13.194 1.00 0.00 C ATOM 1682 C SER A 111 -3.135 29.470 12.296 1.00 0.00 C ATOM 1683 O SER A 111 -4.205 29.669 11.720 1.00 0.00 O ATOM 1684 CB SER A 111 -1.504 31.372 12.406 1.00 0.00 C ATOM 1685 OG SER A 111 -1.974 32.695 12.209 1.00 0.00 O ATOM 0 H SER A 111 -1.099 29.323 14.144 1.00 0.00 H new ATOM 0 HA SER A 111 -3.318 31.196 13.542 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.555 31.395 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.314 30.902 11.441 1.00 0.00 H new ATOM 0 HG SER A 111 -1.308 33.207 11.705 1.00 0.00 H new ATOM 1691 N ALA A 112 -2.453 28.335 12.181 1.00 0.00 N ATOM 1692 CA ALA A 112 -2.935 27.234 11.358 1.00 0.00 C ATOM 1693 C ALA A 112 -3.581 26.154 12.219 1.00 0.00 C ATOM 1694 O ALA A 112 -2.890 25.335 12.824 1.00 0.00 O ATOM 1695 CB ALA A 112 -1.795 26.649 10.536 1.00 0.00 C ATOM 0 H ALA A 112 -1.564 28.155 12.648 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.692 27.623 10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.171 25.827 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.380 27.421 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.017 26.279 11.204 1.00 0.00 H new ATOM 1701 N THR A 113 -4.909 26.163 12.276 1.00 0.00 N ATOM 1702 CA THR A 113 -5.642 25.186 13.071 1.00 0.00 C ATOM 1703 C THR A 113 -5.779 23.861 12.329 1.00 0.00 C ATOM 1704 O THR A 113 -5.025 22.921 12.579 1.00 0.00 O ATOM 1705 CB THR A 113 -7.022 25.728 13.450 1.00 0.00 C ATOM 1706 OG1 THR A 113 -7.239 27.006 12.877 1.00 0.00 O ATOM 1707 CG2 THR A 113 -7.214 25.856 14.944 1.00 0.00 C ATOM 0 H THR A 113 -5.497 26.834 11.782 1.00 0.00 H new ATOM 0 HA THR A 113 -5.074 25.005 13.983 1.00 0.00 H new ATOM 0 HB THR A 113 -7.737 25.001 13.063 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.128 27.332 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.211 26.245 15.151 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.103 24.877 15.410 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.467 26.538 15.350 1.00 0.00 H new ATOM 1715 N LYS A 114 -6.744 23.785 11.416 1.00 0.00 N ATOM 1716 CA LYS A 114 -6.961 22.562 10.654 1.00 0.00 C ATOM 1717 C LYS A 114 -7.358 22.858 9.213 1.00 0.00 C ATOM 1718 O LYS A 114 -6.926 22.171 8.289 1.00 0.00 O ATOM 1719 CB LYS A 114 -8.026 21.691 11.325 1.00 0.00 C ATOM 1720 CG LYS A 114 -9.351 22.404 11.542 1.00 0.00 C ATOM 1721 CD LYS A 114 -10.482 21.417 11.778 1.00 0.00 C ATOM 1722 CE LYS A 114 -11.177 21.045 10.478 1.00 0.00 C ATOM 1723 NZ LYS A 114 -12.592 20.639 10.699 1.00 0.00 N ATOM 0 H LYS A 114 -7.381 24.548 11.189 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.016 22.018 10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.196 20.805 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.647 21.346 12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.268 23.076 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.580 23.021 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.089 20.518 12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.206 21.850 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.146 21.893 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.636 20.229 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.029 20.394 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.622 19.813 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.115 21.426 11.133 1.00 0.00 H new ATOM 1737 N ALA A 115 -8.176 23.879 9.020 1.00 0.00 N ATOM 1738 CA ALA A 115 -8.606 24.249 7.682 1.00 0.00 C ATOM 1739 C ALA A 115 -7.537 25.083 6.990 1.00 0.00 C ATOM 1740 O ALA A 115 -7.484 25.149 5.762 1.00 0.00 O ATOM 1741 CB ALA A 115 -9.924 25.006 7.738 1.00 0.00 C ATOM 0 H ALA A 115 -8.553 24.463 9.767 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.758 23.338 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.232 25.276 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.687 24.375 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.799 25.911 8.333 1.00 0.00 H new ATOM 1747 N GLU A 116 -6.687 25.720 7.787 1.00 0.00 N ATOM 1748 CA GLU A 116 -5.617 26.552 7.254 1.00 0.00 C ATOM 1749 C GLU A 116 -4.373 25.733 6.929 1.00 0.00 C ATOM 1750 O GLU A 116 -3.679 26.012 5.952 1.00 0.00 O ATOM 1751 CB GLU A 116 -5.269 27.667 8.241 1.00 0.00 C ATOM 1752 CG GLU A 116 -6.482 28.419 8.762 1.00 0.00 C ATOM 1753 CD GLU A 116 -6.328 29.923 8.655 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.937 30.405 7.571 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -6.596 30.621 9.656 1.00 0.00 O ATOM 0 H GLU A 116 -6.719 25.676 8.806 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.977 26.994 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.728 27.238 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.595 28.373 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.365 28.108 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.652 28.148 9.804 1.00 0.00 H new ATOM 1762 N LEU A 117 -4.081 24.731 7.755 1.00 0.00 N ATOM 1763 CA LEU A 117 -2.903 23.899 7.533 1.00 0.00 C ATOM 1764 C LEU A 117 -3.168 22.833 6.484 1.00 0.00 C ATOM 1765 O LEU A 117 -2.240 22.337 5.846 1.00 0.00 O ATOM 1766 CB LEU A 117 -2.388 23.292 8.853 1.00 0.00 C ATOM 1767 CG LEU A 117 -2.929 21.922 9.284 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -2.696 21.721 10.770 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -4.399 21.770 8.972 1.00 0.00 C ATOM 0 H LEU A 117 -4.636 24.478 8.573 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.112 24.541 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.303 23.214 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.605 24.001 9.652 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.391 21.162 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.082 20.747 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.628 21.769 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.211 22.503 11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.739 20.786 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.964 22.539 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.556 21.875 7.898 1.00 0.00 H new ATOM 1781 N ILE A 118 -4.437 22.498 6.283 1.00 0.00 N ATOM 1782 CA ILE A 118 -4.787 21.512 5.282 1.00 0.00 C ATOM 1783 C ILE A 118 -4.897 22.175 3.908 1.00 0.00 C ATOM 1784 O ILE A 118 -4.648 21.543 2.882 1.00 0.00 O ATOM 1785 CB ILE A 118 -6.094 20.750 5.639 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -6.175 19.433 4.857 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -7.340 21.594 5.390 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -6.473 19.611 3.384 1.00 0.00 C ATOM 0 H ILE A 118 -5.227 22.891 6.795 1.00 0.00 H new ATOM 0 HA ILE A 118 -3.989 20.770 5.255 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.060 20.531 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.231 18.899 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.948 18.805 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.228 21.019 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.297 22.496 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.387 21.871 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.514 18.635 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.432 20.116 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.688 20.211 2.924 1.00 0.00 H new ATOM 1800 N ALA A 119 -5.244 23.466 3.902 1.00 0.00 N ATOM 1801 CA ALA A 119 -5.358 24.227 2.665 1.00 0.00 C ATOM 1802 C ALA A 119 -4.016 24.830 2.275 1.00 0.00 C ATOM 1803 O ALA A 119 -3.705 24.984 1.094 1.00 0.00 O ATOM 1804 CB ALA A 119 -6.414 25.314 2.803 1.00 0.00 C ATOM 0 H ALA A 119 -5.450 24.002 4.745 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.666 23.545 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.486 25.872 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.378 24.858 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.136 25.991 3.610 1.00 0.00 H new ATOM 1810 N LEU A 120 -3.230 25.188 3.288 1.00 0.00 N ATOM 1811 CA LEU A 120 -1.922 25.798 3.082 1.00 0.00 C ATOM 1812 C LEU A 120 -1.086 25.013 2.077 1.00 0.00 C ATOM 1813 O LEU A 120 -0.551 25.585 1.130 1.00 0.00 O ATOM 1814 CB LEU A 120 -1.179 25.910 4.418 1.00 0.00 C ATOM 1815 CG LEU A 120 0.294 26.323 4.327 1.00 0.00 C ATOM 1816 CD1 LEU A 120 1.160 25.125 3.975 1.00 0.00 C ATOM 1817 CD2 LEU A 120 0.480 27.439 3.307 1.00 0.00 C ATOM 0 H LEU A 120 -3.481 25.064 4.269 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.079 26.795 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.702 26.633 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.237 24.948 4.927 1.00 0.00 H new ATOM 0 HG LEU A 120 0.606 26.699 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.203 25.435 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.053 24.360 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.846 24.719 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.533 27.716 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.150 27.095 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.110 28.306 3.604 1.00 0.00 H new ATOM 1829 N PHE A 121 -0.967 23.704 2.290 1.00 0.00 N ATOM 1830 CA PHE A 121 -0.184 22.858 1.395 1.00 0.00 C ATOM 1831 C PHE A 121 -0.709 22.943 -0.036 1.00 0.00 C ATOM 1832 O PHE A 121 -1.481 22.090 -0.474 1.00 0.00 O ATOM 1833 CB PHE A 121 -0.223 21.408 1.864 1.00 0.00 C ATOM 1834 CG PHE A 121 0.728 21.110 2.983 1.00 0.00 C ATOM 1835 CD1 PHE A 121 2.051 20.788 2.725 1.00 0.00 C ATOM 1836 CD2 PHE A 121 0.294 21.138 4.294 1.00 0.00 C ATOM 1837 CE1 PHE A 121 2.920 20.502 3.758 1.00 0.00 C ATOM 1838 CE2 PHE A 121 1.154 20.853 5.327 1.00 0.00 C ATOM 1839 CZ PHE A 121 2.470 20.533 5.060 1.00 0.00 C ATOM 0 H PHE A 121 -1.400 23.210 3.070 1.00 0.00 H new ATOM 0 HA PHE A 121 0.845 23.217 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.236 21.167 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.007 20.757 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.405 20.761 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -0.734 21.387 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.950 20.255 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 121 0.801 20.879 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 121 3.146 20.307 5.871 1.00 0.00 H new ATOM 1849 N ALA A 122 -0.291 23.975 -0.758 1.00 0.00 N ATOM 1850 CA ALA A 122 -0.725 24.166 -2.137 1.00 0.00 C ATOM 1851 C ALA A 122 0.360 24.843 -2.969 1.00 0.00 C ATOM 1852 O ALA A 122 1.267 25.474 -2.427 1.00 0.00 O ATOM 1853 CB ALA A 122 -2.009 24.980 -2.177 1.00 0.00 C ATOM 0 H ALA A 122 0.347 24.692 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.915 23.184 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.322 25.115 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.790 24.455 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.836 25.954 -1.720 1.00 0.00 H new ATOM 1859 N PRO A 123 0.280 24.721 -4.305 1.00 0.00 N ATOM 1860 CA PRO A 123 1.260 25.325 -5.214 1.00 0.00 C ATOM 1861 C PRO A 123 1.414 26.824 -4.980 1.00 0.00 C ATOM 1862 O PRO A 123 2.526 27.352 -4.982 1.00 0.00 O ATOM 1863 CB PRO A 123 0.676 25.058 -6.604 1.00 0.00 C ATOM 1864 CG PRO A 123 -0.214 23.877 -6.426 1.00 0.00 C ATOM 1865 CD PRO A 123 -0.770 23.985 -5.034 1.00 0.00 C ATOM 0 HA PRO A 123 2.257 24.908 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.119 25.920 -6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.463 24.854 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -1.014 23.876 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.341 22.947 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -1.719 24.520 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.951 23.003 -4.596 1.00 0.00 H new ATOM 1873 N ALA A 124 0.290 27.505 -4.778 1.00 0.00 N ATOM 1874 CA ALA A 124 0.300 28.944 -4.543 1.00 0.00 C ATOM 1875 C ALA A 124 -1.087 29.450 -4.159 1.00 0.00 C ATOM 1876 O ALA A 124 -2.007 29.444 -4.976 1.00 0.00 O ATOM 1877 CB ALA A 124 0.807 29.677 -5.776 1.00 0.00 C ATOM 0 H ALA A 124 -0.639 27.083 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 124 0.974 29.145 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.809 30.750 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.820 29.347 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.155 29.460 -6.622 1.00 0.00 H new ATOM 1883 N ASP A 125 -1.229 29.886 -2.911 1.00 0.00 N ATOM 1884 CA ASP A 125 -2.503 30.397 -2.420 1.00 0.00 C ATOM 1885 C ASP A 125 -2.457 31.912 -2.258 1.00 0.00 C ATOM 1886 O ASP A 125 -3.095 32.471 -1.365 1.00 0.00 O ATOM 1887 CB ASP A 125 -2.858 29.740 -1.085 1.00 0.00 C ATOM 1888 CG ASP A 125 -4.352 29.551 -0.912 1.00 0.00 C ATOM 1889 OD1 ASP A 125 -4.980 28.941 -1.804 1.00 0.00 O ATOM 1890 OD2 ASP A 125 -4.895 30.011 0.114 1.00 0.00 O ATOM 0 H ASP A 125 -0.477 29.895 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 125 -3.271 30.153 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.362 28.772 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.475 30.353 -0.269 1.00 0.00 H new ATOM 1895 N GLY A 126 -1.698 32.572 -3.126 1.00 0.00 N ATOM 1896 CA GLY A 126 -1.582 34.018 -3.062 1.00 0.00 C ATOM 1897 C GLY A 126 -0.548 34.472 -2.049 1.00 0.00 C ATOM 1898 O GLY A 126 0.346 33.711 -1.681 1.00 0.00 O ATOM 0 H GLY A 126 -1.161 32.132 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -1.315 34.402 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -2.551 34.446 -2.805 1.00 0.00 H new ATOM 1902 N GLU A 127 -0.671 35.716 -1.600 1.00 0.00 N ATOM 1903 CA GLU A 127 0.261 36.271 -0.624 1.00 0.00 C ATOM 1904 C GLU A 127 1.683 36.279 -1.177 1.00 0.00 C ATOM 1905 O GLU A 127 2.444 35.334 -0.975 1.00 0.00 O ATOM 1906 CB GLU A 127 0.207 35.465 0.677 1.00 0.00 C ATOM 1907 CG GLU A 127 -0.005 36.322 1.915 1.00 0.00 C ATOM 1908 CD GLU A 127 -0.793 35.603 2.992 1.00 0.00 C ATOM 1909 OE1 GLU A 127 -0.195 34.779 3.714 1.00 0.00 O ATOM 1910 OE2 GLU A 127 -2.009 35.864 3.113 1.00 0.00 O ATOM 0 H GLU A 127 -1.406 36.359 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.033 37.300 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.599 34.734 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.136 34.906 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.963 36.620 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.529 37.236 1.635 1.00 0.00 H new ATOM 1917 N LYS A 128 2.033 37.353 -1.878 1.00 0.00 N ATOM 1918 CA LYS A 128 3.363 37.482 -2.461 1.00 0.00 C ATOM 1919 C LYS A 128 4.288 38.278 -1.544 1.00 0.00 C ATOM 1920 O LYS A 128 4.600 39.438 -1.814 1.00 0.00 O ATOM 1921 CB LYS A 128 3.280 38.158 -3.832 1.00 0.00 C ATOM 1922 CG LYS A 128 4.583 38.107 -4.615 1.00 0.00 C ATOM 1923 CD LYS A 128 5.065 39.499 -4.995 1.00 0.00 C ATOM 1924 CE LYS A 128 5.589 39.537 -6.421 1.00 0.00 C ATOM 1925 NZ LYS A 128 6.171 40.864 -6.764 1.00 0.00 N ATOM 0 H LYS A 128 1.415 38.145 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 128 3.776 36.480 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 128 2.495 37.679 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 128 2.987 39.199 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.347 37.607 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.443 37.511 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.246 40.210 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.852 39.813 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.347 38.764 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.778 39.307 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 6.517 40.848 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.442 41.599 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.962 41.073 -6.121 1.00 0.00 H new ATOM 1939 N SER A 129 4.726 37.644 -0.461 1.00 0.00 N ATOM 1940 CA SER A 129 5.617 38.292 0.495 1.00 0.00 C ATOM 1941 C SER A 129 7.007 37.666 0.450 1.00 0.00 C ATOM 1942 O SER A 129 7.247 36.716 -0.296 1.00 0.00 O ATOM 1943 CB SER A 129 5.044 38.190 1.910 1.00 0.00 C ATOM 1944 OG SER A 129 4.143 39.250 2.173 1.00 0.00 O ATOM 0 H SER A 129 4.479 36.683 -0.224 1.00 0.00 H new ATOM 0 HA SER A 129 5.701 39.344 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 129 4.532 37.235 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 129 5.856 38.210 2.637 1.00 0.00 H new ATOM 0 HG SER A 129 3.790 39.161 3.083 1.00 0.00 H new ATOM 1950 N GLU A 130 7.920 38.204 1.252 1.00 0.00 N ATOM 1951 CA GLU A 130 9.286 37.698 1.304 1.00 0.00 C ATOM 1952 C GLU A 130 9.955 37.792 -0.064 1.00 0.00 C ATOM 1953 O GLU A 130 10.821 36.983 -0.400 1.00 0.00 O ATOM 1954 CB GLU A 130 9.298 36.249 1.795 1.00 0.00 C ATOM 1955 CG GLU A 130 9.250 36.123 3.310 1.00 0.00 C ATOM 1956 CD GLU A 130 9.177 34.681 3.774 1.00 0.00 C ATOM 1957 OE1 GLU A 130 8.182 34.002 3.447 1.00 0.00 O ATOM 1958 OE2 GLU A 130 10.116 34.234 4.464 1.00 0.00 O ATOM 0 H GLU A 130 7.738 38.991 1.875 1.00 0.00 H new ATOM 0 HA GLU A 130 9.849 38.315 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.446 35.721 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 130 10.197 35.756 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 130 10.135 36.594 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.385 36.667 3.689 1.00 0.00 H new ATOM 1965 N ALA A 131 9.549 38.785 -0.849 1.00 0.00 N ATOM 1966 CA ALA A 131 10.109 38.987 -2.180 1.00 0.00 C ATOM 1967 C ALA A 131 9.516 40.227 -2.841 1.00 0.00 C ATOM 1968 O ALA A 131 10.211 40.840 -3.680 1.00 0.00 O ATOM 1969 CB ALA A 131 9.871 37.761 -3.048 1.00 0.00 C ATOM 1970 OXT ALA A 131 8.363 40.576 -2.516 1.00 0.00 O ATOM 0 H ALA A 131 8.834 39.463 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 131 11.183 39.139 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 131 10.295 37.928 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 131 10.347 36.894 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 131 8.800 37.581 -3.138 1.00 0.00 H new TER 1976 ALA A 131