USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -4.18 K(o=-4.2,f=-9.7!) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 SER OG : rot 32:sc= -1.25! USER MOD Set 2.2: A 61 SER OG : rot -89:sc= -6.21! USER MOD Set 2.3: A 70 MET CE :methyl -108:sc= -1.22 (180deg=-5.07) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -4.75! C(o=-7.6!,f=-8.3!) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -2.85! K(o=-7.6!,f=-8.8) USER MOD Set 4.1: A 10 THR OG1 : rot 103:sc= -1.98 USER MOD Set 4.2: A 81 MET CE :methyl -119:sc= -6.16 (180deg=-12.6!) USER MOD Set 5.1: A 6 SER OG : rot 140:sc= -0.618 USER MOD Set 5.2: A 57 MET CE :methyl 162:sc= -6.35! (180deg=-5.12!) USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= -0.0977 USER MOD Set 6.2: A 92 GLN : amide:sc= 0.14 K(o=0.042,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -1.21 (180deg=-1.21) USER MOD Single : A 4 SER OG : rot 121:sc= 0.862 USER MOD Single : A 7 HIS : no HE2:sc= -2.48! K(o=-2.5!,f=-0.81) USER MOD Single : A 12 SER OG : rot -63:sc= 1.05 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.61! C(o=-3.6!,f=-7.8!) USER MOD Single : A 21 CYS SG : rot -55:sc= -3.37 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) USER MOD Single : A 23 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-0.11) USER MOD Single : A 26 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.86! C(o=-5.9!,f=-9.5!) USER MOD Single : A 46 CYS SG : rot 50:sc= 0.978 USER MOD Single : A 60 ASN : amide:sc= -4.38 K(o=-4.4,f=-6.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-2.9!) USER MOD Single : A 71 GLN : amide:sc= -3.47! C(o=-3.5!,f=-1.5!) USER MOD Single : A 72 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.99 K(o=-4,f=-5.1!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00292 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.329 15.434 -5.678 1.00 0.00 N ATOM 2 CA MET A 1 6.824 14.513 -4.623 1.00 0.00 C ATOM 3 C MET A 1 5.373 14.818 -4.266 1.00 0.00 C ATOM 4 O MET A 1 5.080 15.676 -3.435 1.00 0.00 O ATOM 5 CB MET A 1 7.731 14.622 -3.395 1.00 0.00 C ATOM 6 CG MET A 1 7.692 15.979 -2.711 1.00 0.00 C ATOM 7 SD MET A 1 9.184 16.951 -3.002 1.00 0.00 S ATOM 8 CE MET A 1 8.818 18.426 -2.055 1.00 0.00 C ATOM 0 H1 MET A 1 8.313 15.190 -5.910 1.00 0.00 H new ATOM 0 H2 MET A 1 6.739 15.343 -6.530 1.00 0.00 H new ATOM 0 H3 MET A 1 7.288 16.414 -5.332 1.00 0.00 H new ATOM 0 HA MET A 1 6.847 13.490 -5.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.443 13.856 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.757 14.408 -3.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.826 16.536 -3.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.560 15.837 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.649 19.126 -2.136 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.912 18.892 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.669 18.159 -1.009 1.00 0.00 H new ATOM 17 N PHE A 2 4.470 14.086 -4.899 1.00 0.00 N ATOM 18 CA PHE A 2 3.038 14.242 -4.660 1.00 0.00 C ATOM 19 C PHE A 2 2.567 13.130 -3.732 1.00 0.00 C ATOM 20 O PHE A 2 3.327 12.199 -3.459 1.00 0.00 O ATOM 21 CB PHE A 2 2.259 14.210 -5.984 1.00 0.00 C ATOM 22 CG PHE A 2 3.078 14.582 -7.189 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.547 15.876 -7.351 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.369 13.640 -8.162 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.292 16.223 -8.461 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.111 13.983 -9.274 1.00 0.00 C ATOM 27 CZ PHE A 2 4.575 15.275 -9.425 1.00 0.00 C ATOM 0 H PHE A 2 4.703 13.371 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 2 2.853 15.208 -4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.853 13.209 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.411 14.891 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.327 16.621 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.012 12.627 -8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.653 17.234 -8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.329 13.240 -10.027 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.157 15.543 -10.294 1.00 0.00 H new ATOM 37 N ARG A 3 1.334 13.206 -3.232 1.00 0.00 N ATOM 38 CA ARG A 3 0.859 12.157 -2.333 1.00 0.00 C ATOM 39 C ARG A 3 -0.650 11.916 -2.431 1.00 0.00 C ATOM 40 O ARG A 3 -1.455 12.828 -2.247 1.00 0.00 O ATOM 41 CB ARG A 3 1.252 12.461 -0.881 1.00 0.00 C ATOM 42 CG ARG A 3 2.003 11.316 -0.231 1.00 0.00 C ATOM 43 CD ARG A 3 3.491 11.598 -0.130 1.00 0.00 C ATOM 44 NE ARG A 3 3.876 12.030 1.213 1.00 0.00 N ATOM 45 CZ ARG A 3 3.717 11.289 2.308 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.208 10.067 2.226 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.078 11.771 3.490 1.00 0.00 N ATOM 0 H ARG A 3 0.668 13.954 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 3 1.348 11.238 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.871 13.358 -0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.354 12.677 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.599 11.137 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.845 10.405 -0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.049 10.700 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.764 12.369 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 3 4.292 12.956 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.935 9.688 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.090 9.506 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.476 12.707 3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.957 11.205 4.330 1.00 0.00 H new ATOM 61 N SER A 4 -1.009 10.656 -2.695 1.00 0.00 N ATOM 62 CA SER A 4 -2.400 10.224 -2.800 1.00 0.00 C ATOM 63 C SER A 4 -2.711 9.262 -1.662 1.00 0.00 C ATOM 64 O SER A 4 -1.796 8.722 -1.040 1.00 0.00 O ATOM 65 CB SER A 4 -2.640 9.526 -4.146 1.00 0.00 C ATOM 66 OG SER A 4 -3.657 8.544 -4.044 1.00 0.00 O ATOM 0 H SER A 4 -0.335 9.904 -2.842 1.00 0.00 H new ATOM 0 HA SER A 4 -3.052 11.095 -2.737 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.920 10.265 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.715 9.060 -4.486 1.00 0.00 H new ATOM 0 HG SER A 4 -4.386 8.763 -4.661 1.00 0.00 H new ATOM 72 N THR A 5 -3.991 9.037 -1.385 1.00 0.00 N ATOM 73 CA THR A 5 -4.354 8.123 -0.310 1.00 0.00 C ATOM 74 C THR A 5 -5.635 7.350 -0.608 1.00 0.00 C ATOM 75 O THR A 5 -6.683 7.938 -0.876 1.00 0.00 O ATOM 76 CB THR A 5 -4.498 8.872 1.022 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.672 9.666 1.024 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.332 9.786 1.359 1.00 0.00 C ATOM 0 H THR A 5 -4.777 9.463 -1.876 1.00 0.00 H new ATOM 0 HA THR A 5 -3.542 7.401 -0.232 1.00 0.00 H new ATOM 0 HB THR A 5 -4.536 8.085 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.748 10.135 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.517 10.275 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.416 9.199 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.225 10.541 0.581 1.00 0.00 H new ATOM 86 N SER A 6 -5.542 6.022 -0.537 1.00 0.00 N ATOM 87 CA SER A 6 -6.695 5.155 -0.775 1.00 0.00 C ATOM 88 C SER A 6 -7.189 4.540 0.537 1.00 0.00 C ATOM 89 O SER A 6 -6.399 4.005 1.315 1.00 0.00 O ATOM 90 CB SER A 6 -6.332 4.046 -1.766 1.00 0.00 C ATOM 91 OG SER A 6 -7.475 3.287 -2.121 1.00 0.00 O ATOM 0 H SER A 6 -4.680 5.524 -0.317 1.00 0.00 H new ATOM 0 HA SER A 6 -7.495 5.762 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.890 4.484 -2.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.579 3.392 -1.326 1.00 0.00 H new ATOM 0 HG SER A 6 -7.446 3.080 -3.078 1.00 0.00 H new ATOM 97 N HIS A 7 -8.497 4.621 0.778 1.00 0.00 N ATOM 98 CA HIS A 7 -9.090 4.069 2.002 1.00 0.00 C ATOM 99 C HIS A 7 -10.063 2.933 1.679 1.00 0.00 C ATOM 100 O HIS A 7 -10.941 3.082 0.829 1.00 0.00 O ATOM 101 CB HIS A 7 -9.810 5.168 2.791 1.00 0.00 C ATOM 102 CG HIS A 7 -10.413 4.696 4.080 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.252 5.365 5.276 1.00 0.00 N ATOM 104 CD2 HIS A 7 -11.184 3.616 4.359 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.894 4.718 6.231 1.00 0.00 C ATOM 106 NE2 HIS A 7 -11.469 3.655 5.701 1.00 0.00 N ATOM 0 H HIS A 7 -9.166 5.061 0.147 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.282 3.665 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.104 5.970 3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.597 5.593 2.168 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.720 6.226 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.513 2.865 3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.941 5.009 7.270 1.00 0.00 H new ATOM 115 N VAL A 8 -9.901 1.797 2.361 1.00 0.00 N ATOM 116 CA VAL A 8 -10.765 0.637 2.140 1.00 0.00 C ATOM 117 C VAL A 8 -11.102 -0.055 3.457 1.00 0.00 C ATOM 118 O VAL A 8 -10.323 0.010 4.409 1.00 0.00 O ATOM 119 CB VAL A 8 -10.103 -0.390 1.194 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.151 -1.277 0.537 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.253 0.310 0.141 1.00 0.00 C ATOM 0 H VAL A 8 -9.181 1.656 3.069 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.680 1.010 1.679 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.448 -1.024 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.660 -1.991 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.706 -1.815 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.839 -0.660 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.798 -0.434 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.882 0.976 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.471 0.889 0.631 1.00 0.00 H new ATOM 131 N ARG A 9 -12.245 -0.740 3.513 1.00 0.00 N ATOM 132 CA ARG A 9 -12.619 -1.453 4.735 1.00 0.00 C ATOM 133 C ARG A 9 -12.285 -2.940 4.604 1.00 0.00 C ATOM 134 O ARG A 9 -12.965 -3.680 3.893 1.00 0.00 O ATOM 135 CB ARG A 9 -14.110 -1.275 5.052 1.00 0.00 C ATOM 136 CG ARG A 9 -14.391 -0.101 5.976 1.00 0.00 C ATOM 137 CD ARG A 9 -14.058 1.224 5.308 1.00 0.00 C ATOM 138 NE ARG A 9 -14.649 2.357 6.016 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.926 2.717 5.902 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.747 2.036 5.112 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.383 3.760 6.581 1.00 0.00 N ATOM 0 H ARG A 9 -12.914 -0.816 2.747 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.045 -1.028 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.658 -1.135 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.489 -2.188 5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.441 -0.109 6.268 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.806 -0.207 6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.976 1.347 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.417 1.212 4.279 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.049 2.904 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.401 1.232 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.724 2.317 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.757 4.286 7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.361 4.036 6.494 1.00 0.00 H new ATOM 155 N THR A 10 -11.227 -3.365 5.294 1.00 0.00 N ATOM 156 CA THR A 10 -10.787 -4.761 5.259 1.00 0.00 C ATOM 157 C THR A 10 -10.573 -5.320 6.669 1.00 0.00 C ATOM 158 O THR A 10 -10.331 -4.567 7.605 1.00 0.00 O ATOM 159 CB THR A 10 -9.511 -4.888 4.422 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.673 -5.871 3.416 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.289 -5.258 5.229 1.00 0.00 C ATOM 0 H THR A 10 -10.657 -2.761 5.886 1.00 0.00 H new ATOM 0 HA THR A 10 -11.575 -5.353 4.793 1.00 0.00 H new ATOM 0 HB THR A 10 -9.351 -3.898 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.826 -5.433 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.425 -5.330 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.106 -4.493 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.453 -6.218 5.718 1.00 0.00 H new ATOM 169 N GLU A 11 -10.641 -6.641 6.813 1.00 0.00 N ATOM 170 CA GLU A 11 -10.430 -7.275 8.117 1.00 0.00 C ATOM 171 C GLU A 11 -9.054 -7.952 8.205 1.00 0.00 C ATOM 172 O GLU A 11 -8.555 -8.488 7.215 1.00 0.00 O ATOM 173 CB GLU A 11 -11.536 -8.295 8.384 1.00 0.00 C ATOM 174 CG GLU A 11 -12.377 -7.956 9.600 1.00 0.00 C ATOM 175 CD GLU A 11 -13.865 -7.991 9.310 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.279 -7.456 8.260 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.617 -8.552 10.134 1.00 0.00 O ATOM 0 H GLU A 11 -10.839 -7.291 6.052 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.462 -6.494 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.183 -8.358 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.089 -9.279 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.150 -8.660 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.104 -6.964 9.960 1.00 0.00 H new ATOM 184 N SER A 12 -8.450 -7.928 9.401 1.00 0.00 N ATOM 185 CA SER A 12 -7.139 -8.542 9.621 1.00 0.00 C ATOM 186 C SER A 12 -6.078 -7.928 8.713 1.00 0.00 C ATOM 187 O SER A 12 -5.077 -8.562 8.379 1.00 0.00 O ATOM 188 CB SER A 12 -7.220 -10.051 9.405 1.00 0.00 C ATOM 189 OG SER A 12 -5.930 -10.635 9.360 1.00 0.00 O ATOM 0 H SER A 12 -8.851 -7.489 10.230 1.00 0.00 H new ATOM 0 HA SER A 12 -6.845 -8.348 10.653 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.799 -10.505 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.748 -10.259 8.475 1.00 0.00 H new ATOM 0 HG SER A 12 -5.434 -10.274 8.596 1.00 0.00 H new ATOM 195 N ALA A 13 -6.312 -6.685 8.324 1.00 0.00 N ATOM 196 CA ALA A 13 -5.390 -5.948 7.453 1.00 0.00 C ATOM 197 C ALA A 13 -3.947 -5.962 7.955 1.00 0.00 C ATOM 198 O ALA A 13 -3.020 -6.273 7.208 1.00 0.00 O ATOM 199 CB ALA A 13 -5.849 -4.509 7.322 1.00 0.00 C ATOM 0 H ALA A 13 -7.139 -6.155 8.597 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.405 -6.453 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.161 -3.965 6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.850 -4.484 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.866 -4.042 8.307 1.00 0.00 H new ATOM 205 N ALA A 14 -3.764 -5.563 9.207 1.00 0.00 N ATOM 206 CA ALA A 14 -2.430 -5.456 9.814 1.00 0.00 C ATOM 207 C ALA A 14 -1.486 -6.615 9.469 1.00 0.00 C ATOM 208 O ALA A 14 -0.270 -6.430 9.451 1.00 0.00 O ATOM 209 CB ALA A 14 -2.568 -5.309 11.318 1.00 0.00 C ATOM 0 H ALA A 14 -4.527 -5.304 9.833 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.965 -4.568 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.578 -5.230 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.143 -4.411 11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.082 -6.181 11.723 1.00 0.00 H new ATOM 215 N ARG A 15 -2.022 -7.801 9.201 1.00 0.00 N ATOM 216 CA ARG A 15 -1.178 -8.945 8.871 1.00 0.00 C ATOM 217 C ARG A 15 -0.756 -8.917 7.413 1.00 0.00 C ATOM 218 O ARG A 15 0.397 -9.204 7.090 1.00 0.00 O ATOM 219 CB ARG A 15 -1.897 -10.252 9.197 1.00 0.00 C ATOM 220 CG ARG A 15 -0.954 -11.436 9.336 1.00 0.00 C ATOM 221 CD ARG A 15 -0.346 -11.857 8.004 1.00 0.00 C ATOM 222 NE ARG A 15 -0.795 -13.186 7.600 1.00 0.00 N ATOM 223 CZ ARG A 15 -0.355 -14.316 8.149 1.00 0.00 C ATOM 224 NH1 ARG A 15 0.544 -14.282 9.125 1.00 0.00 N ATOM 225 NH2 ARG A 15 -0.818 -15.484 7.723 1.00 0.00 N ATOM 0 H ARG A 15 -3.023 -7.995 9.205 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.276 -8.882 9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.456 -10.130 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.624 -10.465 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.155 -11.180 10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.495 -12.278 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.616 -11.133 7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.741 -11.848 8.082 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.487 -13.253 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.901 -13.387 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.877 -15.151 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.511 -15.516 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.481 -16.350 8.143 1.00 0.00 H new ATOM 239 N TYR A 16 -1.675 -8.556 6.536 1.00 0.00 N ATOM 240 CA TYR A 16 -1.353 -8.484 5.117 1.00 0.00 C ATOM 241 C TYR A 16 -0.263 -7.443 4.900 1.00 0.00 C ATOM 242 O TYR A 16 0.489 -7.530 3.939 1.00 0.00 O ATOM 243 CB TYR A 16 -2.592 -8.178 4.265 1.00 0.00 C ATOM 244 CG TYR A 16 -3.734 -9.189 4.380 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.536 -10.509 4.811 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.032 -8.808 4.060 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.593 -11.392 4.911 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.090 -9.690 4.163 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.865 -10.979 4.589 1.00 0.00 C ATOM 250 OH TYR A 16 -6.918 -11.858 4.692 1.00 0.00 O ATOM 0 H TYR A 16 -2.636 -8.311 6.773 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.987 -9.459 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.970 -7.195 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.287 -8.117 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.541 -10.840 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.218 -7.799 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.421 -12.406 5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.090 -9.369 3.910 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.747 -11.407 4.428 1.00 0.00 H new ATOM 260 N VAL A 17 -0.149 -6.487 5.829 1.00 0.00 N ATOM 261 CA VAL A 17 0.898 -5.469 5.745 1.00 0.00 C ATOM 262 C VAL A 17 2.219 -6.060 6.223 1.00 0.00 C ATOM 263 O VAL A 17 3.269 -5.826 5.625 1.00 0.00 O ATOM 264 CB VAL A 17 0.564 -4.189 6.567 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.823 -3.465 7.042 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.271 -3.238 5.742 1.00 0.00 C ATOM 0 H VAL A 17 -0.763 -6.399 6.639 1.00 0.00 H new ATOM 0 HA VAL A 17 0.972 -5.165 4.701 1.00 0.00 H new ATOM 0 HB VAL A 17 0.005 -4.513 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.541 -2.579 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.409 -4.131 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.419 -3.168 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.497 -2.348 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.281 -2.951 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.201 -3.727 5.453 1.00 0.00 H new ATOM 276 N ASN A 18 2.158 -6.828 7.308 1.00 0.00 N ATOM 277 CA ASN A 18 3.348 -7.449 7.865 1.00 0.00 C ATOM 278 C ASN A 18 3.874 -8.566 6.966 1.00 0.00 C ATOM 279 O ASN A 18 5.074 -8.833 6.944 1.00 0.00 O ATOM 280 CB ASN A 18 3.056 -8.000 9.261 1.00 0.00 C ATOM 281 CG ASN A 18 2.427 -6.964 10.173 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.208 -5.821 9.773 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.135 -7.360 11.406 1.00 0.00 N ATOM 0 H ASN A 18 1.297 -7.033 7.815 1.00 0.00 H new ATOM 0 HA ASN A 18 4.118 -6.680 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.390 -8.859 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.983 -8.358 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.711 -6.706 12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.334 -8.318 11.695 1.00 0.00 H new ATOM 290 N ARG A 19 2.980 -9.229 6.234 1.00 0.00 N ATOM 291 CA ARG A 19 3.388 -10.320 5.359 1.00 0.00 C ATOM 292 C ARG A 19 4.001 -9.818 4.051 1.00 0.00 C ATOM 293 O ARG A 19 4.692 -10.567 3.361 1.00 0.00 O ATOM 294 CB ARG A 19 2.194 -11.225 5.059 1.00 0.00 C ATOM 295 CG ARG A 19 2.558 -12.696 5.017 1.00 0.00 C ATOM 296 CD ARG A 19 1.839 -13.485 6.097 1.00 0.00 C ATOM 297 NE ARG A 19 2.123 -14.915 6.012 1.00 0.00 N ATOM 298 CZ ARG A 19 3.246 -15.476 6.455 1.00 0.00 C ATOM 299 NH1 ARG A 19 4.193 -14.732 7.012 1.00 0.00 N ATOM 300 NH2 ARG A 19 3.423 -16.785 6.339 1.00 0.00 N ATOM 0 H ARG A 19 1.979 -9.031 6.231 1.00 0.00 H new ATOM 0 HA ARG A 19 4.158 -10.885 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.427 -11.068 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.759 -10.937 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.306 -13.105 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.635 -12.808 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.139 -13.114 7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.765 -13.323 6.010 1.00 0.00 H new ATOM 0 HE ARG A 19 1.419 -15.520 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.063 -13.724 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.051 -15.168 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.699 -17.362 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.283 -17.215 6.678 1.00 0.00 H new ATOM 314 N LEU A 20 3.742 -8.562 3.705 1.00 0.00 N ATOM 315 CA LEU A 20 4.270 -7.990 2.466 1.00 0.00 C ATOM 316 C LEU A 20 5.784 -7.823 2.514 1.00 0.00 C ATOM 317 O LEU A 20 6.486 -8.209 1.579 1.00 0.00 O ATOM 318 CB LEU A 20 3.619 -6.640 2.174 1.00 0.00 C ATOM 319 CG LEU A 20 2.106 -6.671 1.959 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.644 -5.361 1.339 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.681 -7.848 1.080 1.00 0.00 C ATOM 0 H LEU A 20 3.174 -7.922 4.259 1.00 0.00 H new ATOM 0 HA LEU A 20 4.030 -8.691 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.837 -5.965 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.086 -6.216 1.285 1.00 0.00 H new ATOM 0 HG LEU A 20 1.634 -6.800 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.565 -5.390 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.895 -4.535 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.140 -5.218 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.599 -7.834 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.163 -7.767 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.978 -8.783 1.555 1.00 0.00 H new ATOM 333 N CYS A 21 6.288 -7.243 3.597 1.00 0.00 N ATOM 334 CA CYS A 21 7.725 -7.031 3.739 1.00 0.00 C ATOM 335 C CYS A 21 8.473 -8.343 3.572 1.00 0.00 C ATOM 336 O CYS A 21 9.543 -8.396 2.968 1.00 0.00 O ATOM 337 CB CYS A 21 8.049 -6.423 5.103 1.00 0.00 C ATOM 338 SG CYS A 21 7.588 -7.475 6.498 1.00 0.00 S ATOM 0 H CYS A 21 5.729 -6.913 4.384 1.00 0.00 H new ATOM 0 HA CYS A 21 8.043 -6.337 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.118 -6.216 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.535 -5.467 5.196 1.00 0.00 H new ATOM 0 HG CYS A 21 6.327 -7.779 6.414 1.00 0.00 H new ATOM 344 N LYS A 22 7.890 -9.404 4.103 1.00 0.00 N ATOM 345 CA LYS A 22 8.485 -10.727 4.008 1.00 0.00 C ATOM 346 C LYS A 22 8.193 -11.349 2.641 1.00 0.00 C ATOM 347 O LYS A 22 8.883 -12.271 2.207 1.00 0.00 O ATOM 348 CB LYS A 22 7.949 -11.627 5.122 1.00 0.00 C ATOM 349 CG LYS A 22 8.169 -11.069 6.525 1.00 0.00 C ATOM 350 CD LYS A 22 6.917 -11.205 7.378 1.00 0.00 C ATOM 351 CE LYS A 22 6.659 -12.653 7.755 1.00 0.00 C ATOM 352 NZ LYS A 22 7.575 -13.121 8.831 1.00 0.00 N ATOM 0 H LYS A 22 7.003 -9.375 4.606 1.00 0.00 H new ATOM 0 HA LYS A 22 9.565 -10.630 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.882 -11.784 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.429 -12.603 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.995 -11.596 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.455 -10.019 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.024 -10.605 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.059 -10.811 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.626 -12.763 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.781 -13.284 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.321 -14.091 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.555 -13.105 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.490 -12.494 9.657 1.00 0.00 H new ATOM 366 N HIS A 23 7.155 -10.842 1.976 1.00 0.00 N ATOM 367 CA HIS A 23 6.754 -11.347 0.667 1.00 0.00 C ATOM 368 C HIS A 23 7.538 -10.698 -0.471 1.00 0.00 C ATOM 369 O HIS A 23 8.220 -11.385 -1.231 1.00 0.00 O ATOM 370 CB HIS A 23 5.257 -11.131 0.447 1.00 0.00 C ATOM 371 CG HIS A 23 4.701 -11.923 -0.695 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.561 -12.692 -0.595 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.134 -12.062 -1.972 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.318 -13.270 -1.758 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.258 -12.904 -2.610 1.00 0.00 N ATOM 0 H HIS A 23 6.576 -10.079 2.326 1.00 0.00 H new ATOM 0 HA HIS A 23 6.977 -12.414 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.722 -11.398 1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.073 -10.072 0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.006 -11.597 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.491 -13.930 -1.975 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.323 -13.199 -3.584 1.00 0.00 H new ATOM 384 N TRP A 24 7.420 -9.375 -0.608 1.00 0.00 N ATOM 385 CA TRP A 24 8.105 -8.668 -1.684 1.00 0.00 C ATOM 386 C TRP A 24 9.524 -8.259 -1.287 1.00 0.00 C ATOM 387 O TRP A 24 10.308 -7.843 -2.140 1.00 0.00 O ATOM 388 CB TRP A 24 7.300 -7.438 -2.101 1.00 0.00 C ATOM 389 CG TRP A 24 5.974 -7.777 -2.711 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.753 -7.289 -2.342 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.734 -8.677 -3.799 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.770 -7.831 -3.134 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.347 -8.687 -4.036 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.558 -9.477 -4.596 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.767 -9.462 -5.036 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.982 -10.247 -5.589 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.597 -10.235 -5.801 1.00 0.00 C ATOM 0 H TRP A 24 6.863 -8.781 0.006 1.00 0.00 H new ATOM 0 HA TRP A 24 8.185 -9.353 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.140 -6.804 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.883 -6.856 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.585 -6.581 -1.544 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.773 -7.629 -3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.626 -9.493 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.700 -9.453 -5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.609 -10.868 -6.211 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.176 -10.848 -6.584 1.00 0.00 H new ATOM 408 N GLY A 25 9.860 -8.374 0.001 1.00 0.00 N ATOM 409 CA GLY A 25 11.193 -8.006 0.444 1.00 0.00 C ATOM 410 C GLY A 25 12.257 -8.962 -0.058 1.00 0.00 C ATOM 411 O GLY A 25 12.912 -9.642 0.732 1.00 0.00 O ATOM 0 H GLY A 25 9.238 -8.712 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.422 -6.998 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.216 -7.981 1.533 1.00 0.00 H new ATOM 415 N HIS A 26 12.429 -9.015 -1.373 1.00 0.00 N ATOM 416 CA HIS A 26 13.420 -9.896 -1.978 1.00 0.00 C ATOM 417 C HIS A 26 14.555 -9.091 -2.599 1.00 0.00 C ATOM 418 O HIS A 26 15.683 -9.573 -2.708 1.00 0.00 O ATOM 419 CB HIS A 26 12.763 -10.784 -3.037 1.00 0.00 C ATOM 420 CG HIS A 26 12.769 -12.239 -2.685 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.855 -12.872 -2.119 1.00 0.00 N ATOM 422 CD2 HIS A 26 11.812 -13.187 -2.821 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.567 -14.147 -1.923 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.333 -14.362 -2.340 1.00 0.00 N ATOM 0 H HIS A 26 11.895 -8.458 -2.041 1.00 0.00 H new ATOM 0 HA HIS A 26 13.837 -10.528 -1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.733 -10.458 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.280 -10.646 -3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.823 -13.045 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.228 -14.886 -1.495 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.845 -15.257 -2.310 1.00 0.00 H new ATOM 433 N LYS A 27 14.253 -7.863 -3.012 1.00 0.00 N ATOM 434 CA LYS A 27 15.261 -7.000 -3.628 1.00 0.00 C ATOM 435 C LYS A 27 14.963 -5.526 -3.350 1.00 0.00 C ATOM 436 O LYS A 27 15.458 -4.640 -4.045 1.00 0.00 O ATOM 437 CB LYS A 27 15.306 -7.265 -5.142 1.00 0.00 C ATOM 438 CG LYS A 27 16.214 -6.325 -5.932 1.00 0.00 C ATOM 439 CD LYS A 27 15.410 -5.278 -6.687 1.00 0.00 C ATOM 440 CE LYS A 27 14.979 -5.779 -8.057 1.00 0.00 C ATOM 441 NZ LYS A 27 15.548 -4.950 -9.155 1.00 0.00 N ATOM 0 H LYS A 27 13.326 -7.444 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 27 16.234 -7.230 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.637 -8.290 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.294 -7.189 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.908 -5.831 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.813 -6.903 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.529 -5.007 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.007 -4.374 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.297 -6.814 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.891 -5.770 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.231 -5.324 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.225 -3.967 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.587 -4.979 -9.110 1.00 0.00 H new ATOM 455 N PHE A 28 14.152 -5.262 -2.329 1.00 0.00 N ATOM 456 CA PHE A 28 13.804 -3.893 -1.980 1.00 0.00 C ATOM 457 C PHE A 28 13.773 -3.702 -0.472 1.00 0.00 C ATOM 458 O PHE A 28 13.727 -4.670 0.287 1.00 0.00 O ATOM 459 CB PHE A 28 12.454 -3.518 -2.591 1.00 0.00 C ATOM 460 CG PHE A 28 12.505 -3.367 -4.084 1.00 0.00 C ATOM 461 CD1 PHE A 28 12.959 -2.191 -4.658 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.107 -4.404 -4.913 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.014 -2.050 -6.031 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.160 -4.270 -6.287 1.00 0.00 C ATOM 465 CZ PHE A 28 12.614 -3.091 -6.847 1.00 0.00 C ATOM 0 H PHE A 28 13.728 -5.974 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 28 14.572 -3.235 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.721 -4.282 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.109 -2.583 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.274 -1.375 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.751 -5.327 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.369 -1.128 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.847 -5.085 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.656 -2.983 -7.921 1.00 0.00 H new ATOM 475 N GLU A 29 13.799 -2.446 -0.041 1.00 0.00 N ATOM 476 CA GLU A 29 13.772 -2.138 1.384 1.00 0.00 C ATOM 477 C GLU A 29 12.342 -2.173 1.908 1.00 0.00 C ATOM 478 O GLU A 29 11.518 -1.334 1.553 1.00 0.00 O ATOM 479 CB GLU A 29 14.414 -0.774 1.661 1.00 0.00 C ATOM 480 CG GLU A 29 13.752 0.386 0.934 1.00 0.00 C ATOM 481 CD GLU A 29 14.285 1.732 1.385 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.296 2.192 0.813 1.00 0.00 O ATOM 483 OE2 GLU A 29 13.692 2.326 2.310 1.00 0.00 O ATOM 0 H GLU A 29 13.838 -1.630 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 29 14.353 -2.897 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.383 -0.581 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.465 -0.815 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.911 0.277 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.676 0.350 1.102 1.00 0.00 H new ATOM 490 N VAL A 30 12.049 -3.163 2.743 1.00 0.00 N ATOM 491 CA VAL A 30 10.709 -3.312 3.300 1.00 0.00 C ATOM 492 C VAL A 30 10.729 -3.303 4.826 1.00 0.00 C ATOM 493 O VAL A 30 11.278 -4.208 5.455 1.00 0.00 O ATOM 494 CB VAL A 30 10.030 -4.622 2.823 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.050 -4.362 1.688 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.062 -5.656 2.404 1.00 0.00 C ATOM 0 H VAL A 30 12.717 -3.871 3.048 1.00 0.00 H new ATOM 0 HA VAL A 30 10.136 -2.457 2.940 1.00 0.00 H new ATOM 0 HB VAL A 30 9.469 -5.019 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.593 -5.302 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.274 -3.676 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.580 -3.922 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.555 -6.563 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.663 -5.259 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.709 -5.888 3.250 1.00 0.00 H new ATOM 506 N GLU A 31 10.107 -2.284 5.418 1.00 0.00 N ATOM 507 CA GLU A 31 10.036 -2.175 6.868 1.00 0.00 C ATOM 508 C GLU A 31 8.750 -2.823 7.372 1.00 0.00 C ATOM 509 O GLU A 31 7.779 -2.949 6.624 1.00 0.00 O ATOM 510 CB GLU A 31 10.094 -0.708 7.298 1.00 0.00 C ATOM 511 CG GLU A 31 11.105 -0.437 8.400 1.00 0.00 C ATOM 512 CD GLU A 31 11.012 0.976 8.943 1.00 0.00 C ATOM 513 OE1 GLU A 31 9.920 1.577 8.850 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.029 1.481 9.463 1.00 0.00 O ATOM 0 H GLU A 31 9.647 -1.526 4.914 1.00 0.00 H new ATOM 0 HA GLU A 31 10.890 -2.694 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.340 -0.094 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.106 -0.398 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.949 -1.146 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.110 -0.609 8.016 1.00 0.00 H new ATOM 521 N LEU A 32 8.744 -3.241 8.631 1.00 0.00 N ATOM 522 CA LEU A 32 7.566 -3.884 9.204 1.00 0.00 C ATOM 523 C LEU A 32 7.292 -3.384 10.616 1.00 0.00 C ATOM 524 O LEU A 32 8.004 -3.724 11.560 1.00 0.00 O ATOM 525 CB LEU A 32 7.753 -5.407 9.212 1.00 0.00 C ATOM 526 CG LEU A 32 6.484 -6.258 9.409 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.863 -7.679 9.800 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.565 -5.652 10.465 1.00 0.00 C ATOM 0 H LEU A 32 9.533 -3.148 9.271 1.00 0.00 H new ATOM 0 HA LEU A 32 6.706 -3.628 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.215 -5.698 8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.458 -5.659 10.004 1.00 0.00 H new ATOM 0 HG LEU A 32 5.942 -6.276 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.959 -8.272 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.472 -8.123 9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.430 -7.661 10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.680 -6.277 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.093 -5.594 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.265 -4.651 10.155 1.00 0.00 H new ATOM 540 N THR A 33 6.232 -2.601 10.750 1.00 0.00 N ATOM 541 CA THR A 33 5.823 -2.075 12.047 1.00 0.00 C ATOM 542 C THR A 33 4.352 -2.393 12.261 1.00 0.00 C ATOM 543 O THR A 33 3.633 -2.681 11.304 1.00 0.00 O ATOM 544 CB THR A 33 6.051 -0.564 12.109 1.00 0.00 C ATOM 545 OG1 THR A 33 5.770 0.038 10.859 1.00 0.00 O ATOM 546 CG2 THR A 33 7.465 -0.187 12.493 1.00 0.00 C ATOM 0 H THR A 33 5.636 -2.314 9.974 1.00 0.00 H new ATOM 0 HA THR A 33 6.420 -2.539 12.832 1.00 0.00 H new ATOM 0 HB THR A 33 5.373 -0.202 12.882 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.920 1.004 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.558 0.899 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.695 -0.594 13.478 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.162 -0.594 11.760 1.00 0.00 H new ATOM 554 N PRO A 34 3.869 -2.344 13.507 1.00 0.00 N ATOM 555 CA PRO A 34 2.467 -2.628 13.800 1.00 0.00 C ATOM 556 C PRO A 34 1.570 -1.467 13.413 1.00 0.00 C ATOM 557 O PRO A 34 0.738 -1.015 14.199 1.00 0.00 O ATOM 558 CB PRO A 34 2.460 -2.839 15.305 1.00 0.00 C ATOM 559 CG PRO A 34 3.606 -2.031 15.815 1.00 0.00 C ATOM 560 CD PRO A 34 4.636 -2.001 14.715 1.00 0.00 C ATOM 0 HA PRO A 34 2.087 -3.484 13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.519 -2.510 15.745 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.578 -3.893 15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.284 -1.022 16.072 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.020 -2.474 16.721 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.100 -1.019 14.629 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.437 -2.717 14.897 1.00 0.00 H new ATOM 568 N GLU A 35 1.759 -0.984 12.193 1.00 0.00 N ATOM 569 CA GLU A 35 0.989 0.136 11.683 1.00 0.00 C ATOM 570 C GLU A 35 0.961 0.145 10.154 1.00 0.00 C ATOM 571 O GLU A 35 -0.064 0.469 9.554 1.00 0.00 O ATOM 572 CB GLU A 35 1.573 1.458 12.197 1.00 0.00 C ATOM 573 CG GLU A 35 1.553 1.593 13.710 1.00 0.00 C ATOM 574 CD GLU A 35 0.147 1.625 14.275 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.753 2.168 13.598 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.057 1.107 15.393 1.00 0.00 O ATOM 0 H GLU A 35 2.445 -1.355 11.536 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.034 0.026 12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.601 1.550 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.013 2.285 11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.099 0.760 14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.076 2.505 13.996 1.00 0.00 H new ATOM 583 N ARG A 36 2.086 -0.197 9.517 1.00 0.00 N ATOM 584 CA ARG A 36 2.145 -0.201 8.062 1.00 0.00 C ATOM 585 C ARG A 36 3.421 -0.837 7.527 1.00 0.00 C ATOM 586 O ARG A 36 4.375 -1.083 8.264 1.00 0.00 O ATOM 587 CB ARG A 36 2.039 1.228 7.528 1.00 0.00 C ATOM 588 CG ARG A 36 3.025 2.187 8.176 1.00 0.00 C ATOM 589 CD ARG A 36 2.386 2.972 9.309 1.00 0.00 C ATOM 590 NE ARG A 36 2.165 4.372 8.949 1.00 0.00 N ATOM 591 CZ ARG A 36 3.120 5.298 8.956 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.361 4.981 9.303 1.00 0.00 N ATOM 593 NH2 ARG A 36 2.834 6.547 8.615 1.00 0.00 N ATOM 0 H ARG A 36 2.952 -0.470 9.982 1.00 0.00 H new ATOM 0 HA ARG A 36 1.303 -0.802 7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.206 1.219 6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.026 1.595 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.879 1.627 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.407 2.878 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.435 2.512 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.025 2.921 10.191 1.00 0.00 H new ATOM 0 HE ARG A 36 1.224 4.655 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.588 4.022 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.088 5.696 9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.882 6.797 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.566 7.257 8.620 1.00 0.00 H new ATOM 607 N GLY A 37 3.424 -1.065 6.217 1.00 0.00 N ATOM 608 CA GLY A 37 4.576 -1.632 5.548 1.00 0.00 C ATOM 609 C GLY A 37 5.246 -0.588 4.655 1.00 0.00 C ATOM 610 O GLY A 37 4.601 -0.048 3.756 1.00 0.00 O ATOM 0 H GLY A 37 2.636 -0.863 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.289 -1.998 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.270 -2.489 4.948 1.00 0.00 H new ATOM 614 N PHE A 38 6.520 -0.284 4.899 1.00 0.00 N ATOM 615 CA PHE A 38 7.233 0.718 4.110 1.00 0.00 C ATOM 616 C PHE A 38 8.102 0.040 3.059 1.00 0.00 C ATOM 617 O PHE A 38 8.997 -0.735 3.389 1.00 0.00 O ATOM 618 CB PHE A 38 8.080 1.574 5.055 1.00 0.00 C ATOM 619 CG PHE A 38 8.913 2.641 4.391 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.320 3.691 3.698 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.297 2.612 4.497 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.095 4.682 3.129 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.071 3.598 3.921 1.00 0.00 C ATOM 624 CZ PHE A 38 10.471 4.635 3.238 1.00 0.00 C ATOM 0 H PHE A 38 7.078 -0.716 5.635 1.00 0.00 H new ATOM 0 HA PHE A 38 6.522 1.358 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.418 2.051 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.743 0.916 5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.245 3.732 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.774 1.807 5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.624 5.496 2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.147 3.558 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.076 5.409 2.789 1.00 0.00 H new ATOM 634 N ILE A 39 7.826 0.332 1.792 1.00 0.00 N ATOM 635 CA ILE A 39 8.585 -0.264 0.691 1.00 0.00 C ATOM 636 C ILE A 39 9.032 0.810 -0.304 1.00 0.00 C ATOM 637 O ILE A 39 8.203 1.387 -1.005 1.00 0.00 O ATOM 638 CB ILE A 39 7.760 -1.330 -0.080 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.887 -2.163 0.884 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.692 -2.229 -0.894 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.420 -3.493 0.319 1.00 0.00 C ATOM 0 H ILE A 39 7.088 0.973 1.500 1.00 0.00 H new ATOM 0 HA ILE A 39 9.452 -0.747 1.142 1.00 0.00 H new ATOM 0 HB ILE A 39 7.088 -0.816 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.452 -2.349 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.013 -1.574 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.103 -2.973 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.249 -1.623 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.389 -2.733 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.814 -4.011 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.825 -3.319 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.286 -4.105 0.066 1.00 0.00 H new ATOM 653 N ASP A 40 10.339 1.073 -0.379 1.00 0.00 N ATOM 654 CA ASP A 40 10.847 2.076 -1.315 1.00 0.00 C ATOM 655 C ASP A 40 11.522 1.401 -2.504 1.00 0.00 C ATOM 656 O ASP A 40 12.418 0.573 -2.343 1.00 0.00 O ATOM 657 CB ASP A 40 11.809 3.069 -0.623 1.00 0.00 C ATOM 658 CG ASP A 40 13.166 3.174 -1.301 1.00 0.00 C ATOM 659 OD1 ASP A 40 13.925 2.184 -1.271 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.466 4.248 -1.862 1.00 0.00 O ATOM 0 H ASP A 40 11.053 0.614 0.187 1.00 0.00 H new ATOM 0 HA ASP A 40 9.996 2.652 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.346 4.055 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.952 2.761 0.413 1.00 0.00 H new ATOM 665 N PHE A 41 11.078 1.769 -3.696 1.00 0.00 N ATOM 666 CA PHE A 41 11.624 1.215 -4.930 1.00 0.00 C ATOM 667 C PHE A 41 12.856 1.998 -5.376 1.00 0.00 C ATOM 668 O PHE A 41 13.658 1.519 -6.178 1.00 0.00 O ATOM 669 CB PHE A 41 10.559 1.267 -6.026 1.00 0.00 C ATOM 670 CG PHE A 41 10.921 0.505 -7.267 1.00 0.00 C ATOM 671 CD1 PHE A 41 11.704 1.091 -8.249 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.476 -0.793 -7.456 1.00 0.00 C ATOM 673 CE1 PHE A 41 12.037 0.397 -9.395 1.00 0.00 C ATOM 674 CE2 PHE A 41 10.805 -1.492 -8.602 1.00 0.00 C ATOM 675 CZ PHE A 41 11.586 -0.897 -9.573 1.00 0.00 C ATOM 0 H PHE A 41 10.336 2.454 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 41 11.918 0.181 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.624 0.871 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.377 2.308 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.058 2.103 -8.116 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.865 -1.264 -6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.649 0.865 -10.152 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.451 -2.503 -8.738 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.844 -1.442 -10.469 1.00 0.00 H new ATOM 685 N GLY A 42 12.987 3.210 -4.850 1.00 0.00 N ATOM 686 CA GLY A 42 14.107 4.065 -5.194 1.00 0.00 C ATOM 687 C GLY A 42 13.726 5.534 -5.185 1.00 0.00 C ATOM 688 O GLY A 42 13.836 6.204 -4.159 1.00 0.00 O ATOM 0 H GLY A 42 12.330 3.619 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.921 3.897 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.480 3.794 -6.181 1.00 0.00 H new ATOM 692 N ASP A 43 13.266 6.033 -6.329 1.00 0.00 N ATOM 693 CA ASP A 43 12.853 7.429 -6.446 1.00 0.00 C ATOM 694 C ASP A 43 11.356 7.560 -6.179 1.00 0.00 C ATOM 695 O ASP A 43 10.599 8.025 -7.031 1.00 0.00 O ATOM 696 CB ASP A 43 13.194 7.971 -7.837 1.00 0.00 C ATOM 697 CG ASP A 43 13.740 9.384 -7.788 1.00 0.00 C ATOM 698 OD1 ASP A 43 13.075 10.258 -7.194 1.00 0.00 O ATOM 699 OD2 ASP A 43 14.833 9.618 -8.345 1.00 0.00 O ATOM 0 H ASP A 43 13.170 5.492 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 43 13.393 8.016 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.927 7.317 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.300 7.951 -8.461 1.00 0.00 H new ATOM 704 N SER A 44 10.948 7.136 -4.984 1.00 0.00 N ATOM 705 CA SER A 44 9.548 7.172 -4.558 1.00 0.00 C ATOM 706 C SER A 44 9.367 6.261 -3.343 1.00 0.00 C ATOM 707 O SER A 44 10.342 5.928 -2.669 1.00 0.00 O ATOM 708 CB SER A 44 8.613 6.733 -5.692 1.00 0.00 C ATOM 709 OG SER A 44 7.261 6.724 -5.271 1.00 0.00 O ATOM 0 H SER A 44 11.581 6.756 -4.280 1.00 0.00 H new ATOM 0 HA SER A 44 9.290 8.197 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.727 7.407 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.896 5.738 -6.034 1.00 0.00 H new ATOM 0 HG SER A 44 7.124 7.422 -4.597 1.00 0.00 H new ATOM 715 N ASN A 45 8.133 5.851 -3.060 1.00 0.00 N ATOM 716 CA ASN A 45 7.876 4.977 -1.924 1.00 0.00 C ATOM 717 C ASN A 45 6.464 4.418 -1.983 1.00 0.00 C ATOM 718 O ASN A 45 5.641 4.869 -2.781 1.00 0.00 O ATOM 719 CB ASN A 45 8.091 5.731 -0.608 1.00 0.00 C ATOM 720 CG ASN A 45 9.318 5.247 0.138 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.422 4.072 0.487 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.256 6.154 0.387 1.00 0.00 N ATOM 0 H ASN A 45 7.305 6.108 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 45 8.579 4.145 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.191 6.797 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.212 5.610 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.104 5.887 0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.128 7.118 0.079 1.00 0.00 H new ATOM 729 N CYS A 46 6.180 3.446 -1.127 1.00 0.00 N ATOM 730 CA CYS A 46 4.859 2.848 -1.081 1.00 0.00 C ATOM 731 C CYS A 46 4.582 2.299 0.314 1.00 0.00 C ATOM 732 O CYS A 46 5.075 1.234 0.686 1.00 0.00 O ATOM 733 CB CYS A 46 4.721 1.733 -2.127 1.00 0.00 C ATOM 734 SG CYS A 46 6.207 1.422 -3.116 1.00 0.00 S ATOM 0 H CYS A 46 6.846 3.058 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 46 4.126 3.621 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.442 0.810 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.902 1.986 -2.800 1.00 0.00 H new ATOM 0 HG CYS A 46 7.232 1.286 -2.328 1.00 0.00 H new ATOM 740 N GLU A 47 3.793 3.040 1.083 1.00 0.00 N ATOM 741 CA GLU A 47 3.447 2.642 2.438 1.00 0.00 C ATOM 742 C GLU A 47 2.038 2.060 2.462 1.00 0.00 C ATOM 743 O GLU A 47 1.211 2.388 1.611 1.00 0.00 O ATOM 744 CB GLU A 47 3.558 3.858 3.368 1.00 0.00 C ATOM 745 CG GLU A 47 4.013 3.551 4.793 1.00 0.00 C ATOM 746 CD GLU A 47 4.661 4.748 5.460 1.00 0.00 C ATOM 747 OE1 GLU A 47 5.208 5.607 4.737 1.00 0.00 O ATOM 748 OE2 GLU A 47 4.621 4.826 6.707 1.00 0.00 O ATOM 0 H GLU A 47 3.380 3.924 0.787 1.00 0.00 H new ATOM 0 HA GLU A 47 4.137 1.873 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.256 4.569 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.587 4.350 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.156 3.228 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.719 2.721 4.776 1.00 0.00 H new ATOM 755 N LEU A 48 1.767 1.192 3.428 1.00 0.00 N ATOM 756 CA LEU A 48 0.446 0.570 3.533 1.00 0.00 C ATOM 757 C LEU A 48 0.013 0.466 4.990 1.00 0.00 C ATOM 758 O LEU A 48 0.623 -0.254 5.775 1.00 0.00 O ATOM 759 CB LEU A 48 0.443 -0.821 2.863 1.00 0.00 C ATOM 760 CG LEU A 48 -0.879 -1.604 2.936 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.077 -0.691 2.722 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.886 -2.735 1.915 1.00 0.00 C ATOM 0 H LEU A 48 2.433 0.903 4.144 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.270 1.203 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.711 -0.697 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.225 -1.425 3.323 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.958 -2.031 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.995 -1.276 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.089 0.080 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.007 -0.222 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.829 -3.278 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.775 -2.321 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.060 -3.416 2.120 1.00 0.00 H new ATOM 774 N LEU A 49 -1.057 1.178 5.335 1.00 0.00 N ATOM 775 CA LEU A 49 -1.581 1.150 6.703 1.00 0.00 C ATOM 776 C LEU A 49 -2.599 0.037 6.815 1.00 0.00 C ATOM 777 O LEU A 49 -3.471 -0.094 5.961 1.00 0.00 O ATOM 778 CB LEU A 49 -2.221 2.490 7.091 1.00 0.00 C ATOM 779 CG LEU A 49 -2.297 2.766 8.599 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.356 3.898 8.979 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.724 3.099 9.009 1.00 0.00 C ATOM 0 H LEU A 49 -1.576 1.778 4.694 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.753 0.973 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.657 3.294 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.230 2.525 6.680 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.988 1.866 9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.422 4.081 10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.333 3.624 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.637 4.802 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.759 3.292 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.060 3.985 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.377 2.259 8.770 1.00 0.00 H new ATOM 793 N ALA A 50 -2.475 -0.791 7.842 1.00 0.00 N ATOM 794 CA ALA A 50 -3.388 -1.907 7.996 1.00 0.00 C ATOM 795 C ALA A 50 -3.747 -2.195 9.444 1.00 0.00 C ATOM 796 O ALA A 50 -2.910 -2.629 10.237 1.00 0.00 O ATOM 797 CB ALA A 50 -2.791 -3.134 7.336 1.00 0.00 C ATOM 0 H ALA A 50 -1.763 -0.712 8.568 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.323 -1.634 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.474 -3.976 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.631 -2.936 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.838 -3.374 7.808 1.00 0.00 H new ATOM 803 N HIS A 51 -5.018 -1.980 9.767 1.00 0.00 N ATOM 804 CA HIS A 51 -5.537 -2.238 11.087 1.00 0.00 C ATOM 805 C HIS A 51 -6.512 -3.421 11.009 1.00 0.00 C ATOM 806 O HIS A 51 -6.936 -3.815 9.924 1.00 0.00 O ATOM 807 CB HIS A 51 -6.208 -0.977 11.656 1.00 0.00 C ATOM 808 CG HIS A 51 -5.865 -0.709 13.091 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.771 -0.198 13.997 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.709 -0.888 13.778 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.190 -0.072 15.176 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.940 -0.483 15.070 1.00 0.00 N ATOM 0 H HIS A 51 -5.712 -1.621 9.112 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.726 -2.498 11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.915 -0.117 11.054 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.289 -1.077 11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.782 -1.276 13.383 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.658 0.303 16.074 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.256 -0.497 15.826 1.00 0.00 H new ATOM 821 N PRO A 52 -6.858 -4.016 12.153 1.00 0.00 N ATOM 822 CA PRO A 52 -7.756 -5.178 12.225 1.00 0.00 C ATOM 823 C PRO A 52 -9.029 -5.051 11.387 1.00 0.00 C ATOM 824 O PRO A 52 -9.670 -6.060 11.091 1.00 0.00 O ATOM 825 CB PRO A 52 -8.096 -5.251 13.710 1.00 0.00 C ATOM 826 CG PRO A 52 -6.891 -4.700 14.382 1.00 0.00 C ATOM 827 CD PRO A 52 -6.378 -3.615 13.476 1.00 0.00 C ATOM 0 HA PRO A 52 -7.276 -6.068 11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.986 -4.667 13.945 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.295 -6.276 14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.139 -4.303 15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.138 -5.474 14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.764 -2.637 13.763 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.290 -3.549 13.505 1.00 0.00 H new ATOM 835 N ASP A 53 -9.416 -3.832 11.013 1.00 0.00 N ATOM 836 CA ASP A 53 -10.634 -3.661 10.225 1.00 0.00 C ATOM 837 C ASP A 53 -10.528 -2.571 9.160 1.00 0.00 C ATOM 838 O ASP A 53 -11.496 -2.328 8.438 1.00 0.00 O ATOM 839 CB ASP A 53 -11.828 -3.378 11.140 1.00 0.00 C ATOM 840 CG ASP A 53 -11.844 -4.271 12.367 1.00 0.00 C ATOM 841 OD1 ASP A 53 -12.087 -5.486 12.214 1.00 0.00 O ATOM 842 OD2 ASP A 53 -11.615 -3.753 13.481 1.00 0.00 O ATOM 0 H ASP A 53 -8.919 -2.970 11.236 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.782 -4.602 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.802 -2.335 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.752 -3.519 10.580 1.00 0.00 H new ATOM 847 N HIS A 54 -9.371 -1.934 9.023 1.00 0.00 N ATOM 848 CA HIS A 54 -9.225 -0.913 7.988 1.00 0.00 C ATOM 849 C HIS A 54 -7.811 -0.890 7.412 1.00 0.00 C ATOM 850 O HIS A 54 -6.863 -1.337 8.057 1.00 0.00 O ATOM 851 CB HIS A 54 -9.617 0.473 8.505 1.00 0.00 C ATOM 852 CG HIS A 54 -8.851 0.920 9.710 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.690 1.659 9.631 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.095 0.748 11.031 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.253 1.922 10.849 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.088 1.382 11.718 1.00 0.00 N ATOM 0 H HIS A 54 -8.543 -2.097 9.595 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.910 -1.180 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.472 1.200 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.680 0.471 8.745 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.927 0.212 11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.363 2.484 11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.000 1.428 12.733 1.00 0.00 H new ATOM 865 N VAL A 55 -7.674 -0.373 6.187 1.00 0.00 N ATOM 866 CA VAL A 55 -6.380 -0.305 5.531 1.00 0.00 C ATOM 867 C VAL A 55 -6.231 1.007 4.763 1.00 0.00 C ATOM 868 O VAL A 55 -7.162 1.461 4.098 1.00 0.00 O ATOM 869 CB VAL A 55 -6.179 -1.510 4.578 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.713 -1.223 3.180 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.717 -1.923 4.523 1.00 0.00 C ATOM 0 H VAL A 55 -8.447 0.002 5.637 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.611 -0.345 6.303 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.756 -2.341 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.552 -2.093 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.780 -1.006 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.189 -0.364 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.604 -2.771 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.116 -1.088 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.381 -2.207 5.520 1.00 0.00 H new ATOM 881 N LEU A 56 -5.053 1.604 4.860 1.00 0.00 N ATOM 882 CA LEU A 56 -4.768 2.864 4.175 1.00 0.00 C ATOM 883 C LEU A 56 -3.599 2.681 3.216 1.00 0.00 C ATOM 884 O LEU A 56 -2.682 1.909 3.484 1.00 0.00 O ATOM 885 CB LEU A 56 -4.448 3.976 5.194 1.00 0.00 C ATOM 886 CG LEU A 56 -5.457 5.130 5.289 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.057 6.089 6.400 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.573 5.879 3.966 1.00 0.00 C ATOM 0 H LEU A 56 -4.274 1.238 5.407 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.652 3.159 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.358 3.520 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.473 4.395 4.946 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.433 4.702 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.780 6.902 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.035 5.556 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.068 6.497 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.295 6.689 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.601 6.292 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.906 5.193 3.187 1.00 0.00 H new ATOM 900 N MET A 57 -3.642 3.384 2.094 1.00 0.00 N ATOM 901 CA MET A 57 -2.584 3.280 1.097 1.00 0.00 C ATOM 902 C MET A 57 -2.041 4.658 0.727 1.00 0.00 C ATOM 903 O MET A 57 -2.753 5.474 0.145 1.00 0.00 O ATOM 904 CB MET A 57 -3.121 2.551 -0.137 1.00 0.00 C ATOM 905 CG MET A 57 -4.048 1.396 0.219 1.00 0.00 C ATOM 906 SD MET A 57 -4.715 0.565 -1.236 1.00 0.00 S ATOM 907 CE MET A 57 -6.473 0.678 -0.913 1.00 0.00 C ATOM 0 H MET A 57 -4.393 4.030 1.851 1.00 0.00 H new ATOM 0 HA MET A 57 -1.756 2.708 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.657 3.260 -0.768 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.284 2.172 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.504 0.673 0.828 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.871 1.770 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.024 0.508 -1.838 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.757 -0.075 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.709 1.670 -0.527 1.00 0.00 H new ATOM 917 N ILE A 58 -0.775 4.914 1.070 1.00 0.00 N ATOM 918 CA ILE A 58 -0.147 6.191 0.774 1.00 0.00 C ATOM 919 C ILE A 58 1.152 5.982 0.006 1.00 0.00 C ATOM 920 O ILE A 58 1.932 5.086 0.327 1.00 0.00 O ATOM 921 CB ILE A 58 0.167 6.975 2.066 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.080 7.073 2.964 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.715 8.351 1.720 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.474 8.491 3.340 1.00 0.00 C ATOM 0 H ILE A 58 -0.170 4.249 1.553 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.850 6.763 0.169 1.00 0.00 H new ATOM 0 HB ILE A 58 0.930 6.437 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.918 6.600 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.901 6.505 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.934 8.897 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.629 8.242 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.024 8.901 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.361 8.466 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.655 8.965 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.689 9.061 2.436 1.00 0.00 H new ATOM 936 N LEU A 59 1.387 6.811 -1.005 1.00 0.00 N ATOM 937 CA LEU A 59 2.603 6.698 -1.799 1.00 0.00 C ATOM 938 C LEU A 59 3.387 7.999 -1.810 1.00 0.00 C ATOM 939 O LEU A 59 2.812 9.083 -1.810 1.00 0.00 O ATOM 940 CB LEU A 59 2.276 6.269 -3.241 1.00 0.00 C ATOM 941 CG LEU A 59 1.738 7.351 -4.192 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.450 7.937 -3.655 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.758 8.454 -4.444 1.00 0.00 C ATOM 0 H LEU A 59 0.758 7.561 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 59 3.223 5.932 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.181 5.851 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.542 5.464 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 59 1.539 6.868 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.084 8.701 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.296 7.148 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.633 8.384 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.333 9.195 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.018 8.932 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.654 8.025 -4.892 1.00 0.00 H new ATOM 955 N ASN A 60 4.705 7.881 -1.871 1.00 0.00 N ATOM 956 CA ASN A 60 5.566 9.053 -1.945 1.00 0.00 C ATOM 957 C ASN A 60 6.370 8.973 -3.232 1.00 0.00 C ATOM 958 O ASN A 60 7.322 8.203 -3.327 1.00 0.00 O ATOM 959 CB ASN A 60 6.508 9.131 -0.740 1.00 0.00 C ATOM 960 CG ASN A 60 5.834 8.738 0.561 1.00 0.00 C ATOM 961 OD1 ASN A 60 5.623 9.573 1.438 1.00 0.00 O ATOM 962 ND2 ASN A 60 5.501 7.460 0.695 1.00 0.00 N ATOM 0 H ASN A 60 5.201 6.990 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 60 4.950 9.952 -1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.364 8.479 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.894 10.147 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.051 7.137 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.695 6.801 -0.059 1.00 0.00 H new ATOM 969 N SER A 61 5.965 9.743 -4.232 1.00 0.00 N ATOM 970 CA SER A 61 6.652 9.704 -5.529 1.00 0.00 C ATOM 971 C SER A 61 6.747 11.088 -6.184 1.00 0.00 C ATOM 972 O SER A 61 5.809 11.882 -6.117 1.00 0.00 O ATOM 973 CB SER A 61 5.911 8.754 -6.470 1.00 0.00 C ATOM 974 OG SER A 61 5.100 7.851 -5.742 1.00 0.00 O ATOM 0 H SER A 61 5.180 10.393 -4.180 1.00 0.00 H new ATOM 0 HA SER A 61 7.668 9.353 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.293 9.328 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.630 8.199 -7.072 1.00 0.00 H new ATOM 0 HG SER A 61 5.619 7.050 -5.521 1.00 0.00 H new ATOM 980 N PRO A 62 7.892 11.388 -6.831 1.00 0.00 N ATOM 981 CA PRO A 62 8.124 12.669 -7.509 1.00 0.00 C ATOM 982 C PRO A 62 7.442 12.772 -8.869 1.00 0.00 C ATOM 983 O PRO A 62 7.462 13.831 -9.495 1.00 0.00 O ATOM 984 CB PRO A 62 9.634 12.688 -7.676 1.00 0.00 C ATOM 985 CG PRO A 62 10.002 11.259 -7.836 1.00 0.00 C ATOM 986 CD PRO A 62 9.061 10.497 -6.948 1.00 0.00 C ATOM 0 HA PRO A 62 7.715 13.504 -6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.931 13.275 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.125 13.131 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.903 10.943 -8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.039 11.087 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.790 9.535 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.507 10.291 -5.975 1.00 0.00 H new ATOM 994 N ASP A 63 6.836 11.682 -9.328 1.00 0.00 N ATOM 995 CA ASP A 63 6.157 11.695 -10.616 1.00 0.00 C ATOM 996 C ASP A 63 4.882 10.851 -10.543 1.00 0.00 C ATOM 997 O ASP A 63 4.853 9.836 -9.849 1.00 0.00 O ATOM 998 CB ASP A 63 7.098 11.176 -11.713 1.00 0.00 C ATOM 999 CG ASP A 63 6.365 10.758 -12.976 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.365 11.418 -13.328 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.792 9.771 -13.611 1.00 0.00 O ATOM 0 H ASP A 63 6.801 10.790 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 63 5.876 12.719 -10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.822 11.952 -11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.661 10.326 -11.328 1.00 0.00 H new ATOM 1006 N GLU A 64 3.824 11.266 -11.245 1.00 0.00 N ATOM 1007 CA GLU A 64 2.563 10.499 -11.204 1.00 0.00 C ATOM 1008 C GLU A 64 2.780 9.057 -11.659 1.00 0.00 C ATOM 1009 O GLU A 64 2.268 8.135 -11.031 1.00 0.00 O ATOM 1010 CB GLU A 64 1.438 11.151 -12.018 1.00 0.00 C ATOM 1011 CG GLU A 64 0.595 12.103 -11.186 1.00 0.00 C ATOM 1012 CD GLU A 64 1.116 13.526 -11.217 1.00 0.00 C ATOM 1013 OE1 GLU A 64 2.304 13.715 -11.552 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.337 14.450 -10.905 1.00 0.00 O ATOM 0 H GLU A 64 3.806 12.100 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 64 2.243 10.498 -10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.870 11.693 -12.859 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.798 10.374 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.431 12.088 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.570 11.752 -10.154 1.00 0.00 H new ATOM 1021 N ASP A 65 3.551 8.850 -12.730 1.00 0.00 N ATOM 1022 CA ASP A 65 3.825 7.492 -13.202 1.00 0.00 C ATOM 1023 C ASP A 65 4.224 6.629 -12.016 1.00 0.00 C ATOM 1024 O ASP A 65 3.604 5.604 -11.733 1.00 0.00 O ATOM 1025 CB ASP A 65 4.954 7.511 -14.225 1.00 0.00 C ATOM 1026 CG ASP A 65 5.097 6.192 -14.959 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.072 5.501 -15.141 1.00 0.00 O ATOM 1028 OD2 ASP A 65 6.232 5.852 -15.353 1.00 0.00 O ATOM 0 H ASP A 65 3.989 9.591 -13.277 1.00 0.00 H new ATOM 0 HA ASP A 65 2.931 7.084 -13.674 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.772 8.307 -14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.892 7.746 -13.722 1.00 0.00 H new ATOM 1033 N SER A 66 5.234 7.098 -11.293 1.00 0.00 N ATOM 1034 CA SER A 66 5.695 6.423 -10.088 1.00 0.00 C ATOM 1035 C SER A 66 4.551 6.398 -9.081 1.00 0.00 C ATOM 1036 O SER A 66 4.113 5.343 -8.627 1.00 0.00 O ATOM 1037 CB SER A 66 6.897 7.162 -9.494 1.00 0.00 C ATOM 1038 OG SER A 66 8.077 6.898 -10.235 1.00 0.00 O ATOM 0 H SER A 66 5.751 7.947 -11.522 1.00 0.00 H new ATOM 0 HA SER A 66 6.003 5.406 -10.330 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.701 8.234 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.039 6.857 -8.457 1.00 0.00 H new ATOM 0 HG SER A 66 8.829 7.383 -9.836 1.00 0.00 H new ATOM 1044 N LEU A 67 4.071 7.595 -8.776 1.00 0.00 N ATOM 1045 CA LEU A 67 2.958 7.817 -7.852 1.00 0.00 C ATOM 1046 C LEU A 67 1.856 6.774 -8.030 1.00 0.00 C ATOM 1047 O LEU A 67 1.539 6.038 -7.097 1.00 0.00 O ATOM 1048 CB LEU A 67 2.429 9.244 -8.096 1.00 0.00 C ATOM 1049 CG LEU A 67 1.080 9.630 -7.484 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.841 11.117 -7.665 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.068 8.841 -8.094 1.00 0.00 C ATOM 0 H LEU A 67 4.448 8.458 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 67 3.303 7.713 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.176 9.944 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.361 9.394 -9.173 1.00 0.00 H new ATOM 0 HG LEU A 67 1.116 9.388 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.120 11.387 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.635 11.676 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.837 11.358 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.006 9.147 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.113 9.034 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.091 7.776 -7.923 1.00 0.00 H new ATOM 1063 N ALA A 68 1.274 6.708 -9.217 1.00 0.00 N ATOM 1064 CA ALA A 68 0.214 5.745 -9.475 1.00 0.00 C ATOM 1065 C ALA A 68 0.756 4.326 -9.391 1.00 0.00 C ATOM 1066 O ALA A 68 0.077 3.420 -8.911 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.420 6.000 -10.835 1.00 0.00 C ATOM 0 H ALA A 68 1.514 7.303 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.556 5.864 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.210 5.270 -11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.842 7.005 -10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.338 5.908 -11.613 1.00 0.00 H new ATOM 1073 N HIS A 69 1.994 4.144 -9.844 1.00 0.00 N ATOM 1074 CA HIS A 69 2.632 2.834 -9.800 1.00 0.00 C ATOM 1075 C HIS A 69 2.592 2.284 -8.380 1.00 0.00 C ATOM 1076 O HIS A 69 2.380 1.093 -8.167 1.00 0.00 O ATOM 1077 CB HIS A 69 4.079 2.924 -10.286 1.00 0.00 C ATOM 1078 CG HIS A 69 4.693 1.592 -10.587 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.090 0.395 -10.263 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.864 1.270 -11.188 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.863 -0.604 -10.649 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.944 -0.100 -11.213 1.00 0.00 N ATOM 0 H HIS A 69 2.572 4.884 -10.243 1.00 0.00 H new ATOM 0 HA HIS A 69 2.087 2.160 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.115 3.542 -11.183 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.678 3.428 -9.527 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.188 0.296 -9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.597 1.962 -11.575 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.647 -1.655 -10.524 1.00 0.00 H new ATOM 1091 N MET A 70 2.799 3.173 -7.412 1.00 0.00 N ATOM 1092 CA MET A 70 2.788 2.787 -6.002 1.00 0.00 C ATOM 1093 C MET A 70 1.355 2.641 -5.471 1.00 0.00 C ATOM 1094 O MET A 70 0.983 1.578 -4.974 1.00 0.00 O ATOM 1095 CB MET A 70 3.560 3.818 -5.167 1.00 0.00 C ATOM 1096 CG MET A 70 4.787 4.395 -5.860 1.00 0.00 C ATOM 1097 SD MET A 70 5.782 3.141 -6.695 1.00 0.00 S ATOM 1098 CE MET A 70 6.888 4.171 -7.656 1.00 0.00 C ATOM 0 H MET A 70 2.976 4.164 -7.577 1.00 0.00 H new ATOM 0 HA MET A 70 3.276 1.816 -5.916 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.887 4.635 -4.907 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.871 3.351 -4.232 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.469 5.142 -6.587 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.404 4.910 -5.124 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.618 4.111 -8.710 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.807 5.205 -7.319 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.913 3.826 -7.524 1.00 0.00 H new ATOM 1108 N GLN A 71 0.551 3.708 -5.565 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.828 3.660 -5.072 1.00 0.00 C ATOM 1110 C GLN A 71 -1.629 2.530 -5.720 1.00 0.00 C ATOM 1111 O GLN A 71 -2.563 2.004 -5.115 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.573 4.997 -5.259 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.222 5.773 -6.515 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.455 6.193 -7.295 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.161 5.357 -7.859 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.719 7.494 -7.329 1.00 0.00 N ATOM 0 H GLN A 71 0.828 4.602 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.748 3.465 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.645 4.798 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.371 5.629 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.647 6.658 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.583 5.161 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.106 8.152 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.535 7.836 -7.837 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.269 2.157 -6.944 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.975 1.087 -7.646 1.00 0.00 C ATOM 1127 C ASN A 72 -1.473 -0.286 -7.207 1.00 0.00 C ATOM 1128 O ASN A 72 -2.267 -1.192 -6.954 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.823 1.240 -9.159 1.00 0.00 C ATOM 1130 CG ASN A 72 -2.999 0.658 -9.919 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.748 1.381 -10.576 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.167 -0.656 -9.832 1.00 0.00 N ATOM 0 H ASN A 72 -0.500 2.574 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.031 1.165 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.721 2.297 -9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.906 0.747 -9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.941 -1.105 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.522 -1.217 -9.276 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.152 -0.435 -7.120 1.00 0.00 N ATOM 1140 CA VAL A 73 0.455 -1.699 -6.711 1.00 0.00 C ATOM 1141 C VAL A 73 -0.250 -2.278 -5.484 1.00 0.00 C ATOM 1142 O VAL A 73 -0.472 -3.485 -5.398 1.00 0.00 O ATOM 1143 CB VAL A 73 1.965 -1.519 -6.415 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.481 -2.583 -5.455 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.762 -1.539 -7.710 1.00 0.00 C ATOM 0 H VAL A 73 0.518 0.305 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 73 0.341 -2.399 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 73 2.096 -0.550 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.544 -2.423 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.937 -2.518 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.333 -3.570 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.821 -1.411 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.610 -2.492 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.427 -0.728 -8.356 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.604 -1.409 -4.544 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.289 -1.843 -3.329 1.00 0.00 C ATOM 1157 C VAL A 74 -2.719 -2.287 -3.638 1.00 0.00 C ATOM 1158 O VAL A 74 -3.150 -3.351 -3.193 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.319 -0.733 -2.257 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.120 -1.169 -1.036 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.094 -0.334 -1.849 1.00 0.00 C ATOM 0 H VAL A 74 -0.430 -0.405 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.724 -2.687 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.811 0.136 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.124 -0.367 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.144 -1.393 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.666 -2.060 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.047 0.450 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.613 -1.201 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.634 0.035 -2.721 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.451 -1.481 -4.416 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.822 -1.825 -4.785 1.00 0.00 C ATOM 1173 C ALA A 75 -4.881 -3.262 -5.285 1.00 0.00 C ATOM 1174 O ALA A 75 -5.905 -3.936 -5.171 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.351 -0.871 -5.850 1.00 0.00 C ATOM 0 H ALA A 75 -3.118 -0.595 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.453 -1.731 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.373 -1.146 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.336 0.149 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.722 -0.932 -6.738 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.758 -3.722 -5.828 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.653 -5.083 -6.337 1.00 0.00 C ATOM 1183 C ASP A 76 -3.530 -6.082 -5.188 1.00 0.00 C ATOM 1184 O ASP A 76 -4.131 -7.156 -5.218 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.444 -5.207 -7.267 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.470 -6.486 -8.081 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.208 -6.535 -9.087 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -1.754 -7.439 -7.711 1.00 0.00 O ATOM 0 H ASP A 76 -2.906 -3.169 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.560 -5.309 -6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.418 -4.351 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.529 -5.174 -6.675 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.738 -5.722 -4.180 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.521 -6.586 -3.021 1.00 0.00 C ATOM 1195 C HIS A 77 -3.818 -6.845 -2.249 1.00 0.00 C ATOM 1196 O HIS A 77 -4.069 -7.966 -1.809 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.466 -5.977 -2.091 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.203 -5.586 -2.795 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.041 -5.873 -4.122 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.893 -4.928 -2.347 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.233 -5.411 -4.458 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.769 -4.832 -3.400 1.00 0.00 N ATOM 0 H HIS A 77 -2.235 -4.836 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.162 -7.545 -3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.887 -5.098 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.228 -6.694 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.049 -4.549 -1.348 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.691 -5.493 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.686 -4.386 -3.369 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.637 -5.808 -2.079 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.896 -5.940 -1.357 1.00 0.00 C ATOM 1213 C LEU A 78 -6.875 -6.847 -2.104 1.00 0.00 C ATOM 1214 O LEU A 78 -7.809 -7.384 -1.510 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.531 -4.559 -1.140 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.804 -3.621 -0.161 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.734 -2.501 0.278 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.291 -4.386 1.051 1.00 0.00 C ATOM 0 H LEU A 78 -4.449 -4.870 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.678 -6.395 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.600 -4.059 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.550 -4.704 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.946 -3.190 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.209 -1.843 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.053 -1.930 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.607 -2.926 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.781 -3.699 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.130 -4.850 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.594 -5.158 0.726 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.667 -7.006 -3.410 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.549 -7.839 -4.227 1.00 0.00 C ATOM 1232 C GLN A 79 -7.410 -9.322 -3.891 1.00 0.00 C ATOM 1233 O GLN A 79 -8.376 -9.965 -3.480 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.260 -7.627 -5.715 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.198 -6.165 -6.127 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.134 -5.837 -7.275 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.757 -4.777 -7.298 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.233 -6.746 -8.239 1.00 0.00 N ATOM 0 H GLN A 79 -5.900 -6.572 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.571 -7.534 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.312 -8.105 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.032 -8.127 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.449 -5.540 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.176 -5.916 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.698 -7.612 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.844 -6.577 -9.038 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.213 -9.866 -4.086 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.967 -11.283 -3.820 1.00 0.00 C ATOM 1249 C ARG A 80 -6.372 -11.666 -2.400 1.00 0.00 C ATOM 1250 O ARG A 80 -6.800 -12.794 -2.155 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.496 -11.637 -4.055 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.524 -10.560 -3.609 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.475 -11.112 -2.657 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.586 -10.065 -2.155 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.596 -9.529 -2.866 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.368 -9.934 -4.109 1.00 0.00 N ATOM 1257 NH2 ARG A 80 0.166 -8.585 -2.333 1.00 0.00 N ATOM 0 H ARG A 80 -5.400 -9.352 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.583 -11.852 -4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.266 -12.562 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.345 -11.832 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.033 -10.128 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.072 -9.754 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.969 -11.602 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.886 -11.873 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.733 -9.725 -1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.953 -10.659 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.392 -9.520 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.006 -8.269 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.925 -8.174 -2.877 1.00 0.00 H new ATOM 1271 N MET A 81 -6.234 -10.731 -1.467 1.00 0.00 N ATOM 1272 CA MET A 81 -6.588 -10.997 -0.076 1.00 0.00 C ATOM 1273 C MET A 81 -8.090 -10.851 0.164 1.00 0.00 C ATOM 1274 O MET A 81 -8.598 -11.247 1.213 1.00 0.00 O ATOM 1275 CB MET A 81 -5.802 -10.077 0.866 1.00 0.00 C ATOM 1276 CG MET A 81 -6.108 -8.589 0.723 1.00 0.00 C ATOM 1277 SD MET A 81 -7.722 -8.123 1.382 1.00 0.00 S ATOM 1278 CE MET A 81 -7.259 -6.852 2.553 1.00 0.00 C ATOM 0 H MET A 81 -5.883 -9.790 -1.645 1.00 0.00 H new ATOM 0 HA MET A 81 -6.319 -12.031 0.138 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.005 -10.377 1.894 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.737 -10.231 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.335 -8.016 1.235 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.061 -8.316 -0.331 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.561 -7.154 3.556 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.179 -6.709 2.527 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.755 -5.917 2.291 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.798 -10.279 -0.806 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.242 -10.083 -0.682 1.00 0.00 C ATOM 1290 C ALA A 82 -11.004 -10.867 -1.747 1.00 0.00 C ATOM 1291 O ALA A 82 -10.449 -11.751 -2.399 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.580 -8.602 -0.768 1.00 0.00 C ATOM 0 H ALA A 82 -8.399 -9.944 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.551 -10.461 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.658 -8.469 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.077 -8.067 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.248 -8.208 -1.729 1.00 0.00 H new ATOM 1298 N ASN A 83 -12.284 -10.537 -1.913 1.00 0.00 N ATOM 1299 CA ASN A 83 -13.132 -11.209 -2.893 1.00 0.00 C ATOM 1300 C ASN A 83 -12.533 -11.126 -4.295 1.00 0.00 C ATOM 1301 O ASN A 83 -11.384 -10.718 -4.469 1.00 0.00 O ATOM 1302 CB ASN A 83 -14.534 -10.594 -2.885 1.00 0.00 C ATOM 1303 CG ASN A 83 -15.564 -11.510 -2.254 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -15.952 -11.325 -1.101 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -16.012 -12.507 -3.009 1.00 0.00 N ATOM 0 H ASN A 83 -12.756 -9.807 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 83 -13.198 -12.261 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -14.510 -9.650 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.833 -10.365 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -16.705 -13.156 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.663 -12.623 -3.960 1.00 0.00 H new ATOM 1312 N SER A 84 -13.319 -11.524 -5.292 1.00 0.00 N ATOM 1313 CA SER A 84 -12.872 -11.503 -6.680 1.00 0.00 C ATOM 1314 C SER A 84 -13.037 -10.115 -7.297 1.00 0.00 C ATOM 1315 O SER A 84 -12.385 -9.790 -8.289 1.00 0.00 O ATOM 1316 CB SER A 84 -13.650 -12.532 -7.501 1.00 0.00 C ATOM 1317 OG SER A 84 -12.815 -13.157 -8.460 1.00 0.00 O ATOM 0 H SER A 84 -14.271 -11.866 -5.163 1.00 0.00 H new ATOM 0 HA SER A 84 -11.812 -11.757 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.074 -13.286 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.485 -12.044 -8.004 1.00 0.00 H new ATOM 0 HG SER A 84 -13.336 -13.811 -8.971 1.00 0.00 H new ATOM 1323 N GLU A 85 -13.907 -9.300 -6.707 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.148 -7.951 -7.209 1.00 0.00 C ATOM 1325 C GLU A 85 -12.851 -7.147 -7.234 1.00 0.00 C ATOM 1326 O GLU A 85 -11.972 -7.346 -6.397 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.187 -7.238 -6.341 1.00 0.00 C ATOM 1328 CG GLU A 85 -14.769 -7.094 -4.886 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.946 -7.167 -3.933 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -16.758 -6.218 -3.918 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -16.055 -8.173 -3.200 1.00 0.00 O ATOM 0 H GLU A 85 -14.455 -9.549 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.530 -8.029 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.377 -6.248 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.127 -7.788 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.055 -7.879 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.255 -6.142 -4.752 1.00 0.00 H new ATOM 1338 N SER A 86 -12.735 -6.242 -8.202 1.00 0.00 N ATOM 1339 CA SER A 86 -11.537 -5.420 -8.329 1.00 0.00 C ATOM 1340 C SER A 86 -11.446 -4.409 -7.191 1.00 0.00 C ATOM 1341 O SER A 86 -11.626 -3.210 -7.400 1.00 0.00 O ATOM 1342 CB SER A 86 -11.533 -4.694 -9.677 1.00 0.00 C ATOM 1343 OG SER A 86 -10.867 -5.459 -10.666 1.00 0.00 O ATOM 0 H SER A 86 -13.451 -6.060 -8.905 1.00 0.00 H new ATOM 0 HA SER A 86 -10.668 -6.076 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.558 -4.500 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.044 -3.726 -9.571 1.00 0.00 H new ATOM 0 HG SER A 86 -10.880 -4.975 -11.518 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.163 -4.919 -5.989 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.034 -4.101 -4.768 1.00 0.00 C ATOM 1351 C LEU A 87 -11.693 -2.736 -4.884 1.00 0.00 C ATOM 1352 O LEU A 87 -11.163 -1.839 -5.539 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.559 -3.870 -4.385 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.123 -4.405 -3.013 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.200 -3.300 -1.972 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.962 -5.598 -2.572 1.00 0.00 C ATOM 0 H LEU A 87 -11.015 -5.915 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.546 -4.680 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.931 -4.330 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.361 -2.798 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.092 -4.746 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.889 -3.691 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.542 -2.481 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.225 -2.935 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.619 -5.944 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.009 -5.302 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.859 -6.404 -3.299 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.811 -2.557 -4.201 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.464 -1.264 -4.209 1.00 0.00 C ATOM 1370 C GLU A 88 -12.585 -0.290 -3.440 1.00 0.00 C ATOM 1371 O GLU A 88 -12.606 -0.260 -2.210 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.846 -1.356 -3.562 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.894 -2.007 -4.450 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.192 -3.437 -4.046 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -15.231 -4.210 -3.842 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.386 -3.786 -3.934 1.00 0.00 O ATOM 0 H GLU A 88 -13.276 -3.275 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.601 -0.921 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.766 -1.922 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.180 -0.353 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.813 -1.423 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.550 -1.989 -5.484 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.792 0.490 -4.166 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.891 1.442 -3.535 1.00 0.00 C ATOM 1385 C ILE A 89 -10.932 2.793 -4.245 1.00 0.00 C ATOM 1386 O ILE A 89 -10.771 2.858 -5.465 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.425 0.908 -3.502 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.701 1.096 -4.849 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.403 -0.559 -3.113 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.032 0.033 -5.877 1.00 0.00 C ATOM 0 H ILE A 89 -11.756 0.481 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.234 1.573 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.893 1.496 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.959 2.074 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.625 1.097 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.373 -0.915 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.846 -0.680 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.974 -1.137 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.484 0.234 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.748 -0.946 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.103 0.046 -6.082 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.127 3.878 -3.496 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.144 5.192 -4.115 1.00 0.00 C ATOM 1404 C ALA A 90 -9.770 5.825 -3.991 1.00 0.00 C ATOM 1405 O ALA A 90 -9.331 6.185 -2.898 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.203 6.095 -3.490 1.00 0.00 C ATOM 0 H ALA A 90 -11.271 3.871 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.400 5.072 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.185 7.069 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.187 5.643 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.994 6.219 -2.427 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.091 5.954 -5.120 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.760 6.537 -5.145 1.00 0.00 C ATOM 1414 C TRP A 91 -7.823 8.026 -5.456 1.00 0.00 C ATOM 1415 O TRP A 91 -8.509 8.449 -6.387 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.884 5.826 -6.177 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.396 5.954 -7.580 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.341 5.175 -8.182 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -6.988 6.920 -8.556 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.546 5.598 -9.474 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.729 6.668 -9.726 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.071 7.975 -8.553 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.579 7.432 -10.882 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -5.923 8.732 -9.700 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.674 8.457 -10.850 1.00 0.00 C ATOM 0 H TRP A 91 -9.441 5.662 -6.032 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.319 6.409 -4.156 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.874 6.233 -6.128 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.815 4.769 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.853 4.348 -7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.200 5.182 -10.137 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.489 8.195 -7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.156 7.222 -11.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.217 9.549 -9.710 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -6.535 9.067 -11.730 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.100 8.814 -4.672 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.070 10.258 -4.865 1.00 0.00 C ATOM 1438 C GLN A 92 -5.957 10.646 -5.834 1.00 0.00 C ATOM 1439 O GLN A 92 -4.927 9.976 -5.912 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.872 10.973 -3.526 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.065 10.856 -2.592 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.956 11.774 -1.390 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -8.615 12.811 -1.324 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -7.120 11.395 -0.431 1.00 0.00 N ATOM 0 H GLN A 92 -6.527 8.479 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.026 10.565 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.992 10.562 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.670 12.028 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.977 11.090 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.155 9.825 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.593 10.527 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.004 11.972 0.402 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.156 11.737 -6.594 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.171 12.214 -7.571 1.00 0.00 C ATOM 1455 C PRO A 93 -3.754 12.248 -7.016 1.00 0.00 C ATOM 1456 O PRO A 93 -2.794 11.972 -7.736 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.641 13.631 -7.868 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.116 13.592 -7.661 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.360 12.589 -6.564 1.00 0.00 C ATOM 0 HA PRO A 93 -5.120 11.560 -8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.167 14.353 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.392 13.925 -8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.496 14.575 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.630 13.300 -8.577 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.482 13.076 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.265 12.009 -6.746 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.637 12.606 -5.734 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.341 12.699 -5.053 1.00 0.00 C ATOM 1469 C ALA A 94 -1.849 14.142 -5.024 1.00 0.00 C ATOM 1470 O ALA A 94 -1.195 14.567 -4.071 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.288 11.802 -5.701 1.00 0.00 C ATOM 0 H ALA A 94 -4.433 12.839 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.492 12.351 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.344 11.903 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.619 10.764 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.148 12.098 -6.741 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.166 14.890 -6.076 1.00 0.00 N ATOM 1478 CA GLU A 95 -1.757 16.286 -6.173 1.00 0.00 C ATOM 1479 C GLU A 95 -2.941 17.178 -6.532 1.00 0.00 C ATOM 1480 O GLU A 95 -3.974 16.695 -6.996 1.00 0.00 O ATOM 1481 CB GLU A 95 -0.650 16.444 -7.218 1.00 0.00 C ATOM 1482 CG GLU A 95 0.173 17.710 -7.049 1.00 0.00 C ATOM 1483 CD GLU A 95 0.740 17.856 -5.649 1.00 0.00 C ATOM 1484 OE1 GLU A 95 0.842 16.832 -4.941 1.00 0.00 O ATOM 1485 OE2 GLU A 95 1.083 18.993 -5.264 1.00 0.00 O ATOM 0 H GLU A 95 -2.705 14.552 -6.873 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.376 16.594 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.013 15.580 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.098 16.442 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.991 17.706 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.448 18.576 -7.277 1.00 0.00 H new ATOM 1492 N SER A 96 -2.785 18.479 -6.314 1.00 0.00 N ATOM 1493 CA SER A 96 -3.841 19.437 -6.614 1.00 0.00 C ATOM 1494 C SER A 96 -3.552 20.176 -7.918 1.00 0.00 C ATOM 1495 O SER A 96 -4.512 20.452 -8.666 1.00 0.00 O ATOM 1496 CB SER A 96 -3.991 20.439 -5.469 1.00 0.00 C ATOM 1497 OG SER A 96 -2.731 20.945 -5.065 1.00 0.00 O ATOM 1498 OXT SER A 96 -2.367 20.473 -8.177 1.00 0.00 O ATOM 0 H SER A 96 -1.936 18.894 -5.930 1.00 0.00 H new ATOM 0 HA SER A 96 -4.774 18.886 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.633 21.262 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.481 19.958 -4.623 1.00 0.00 H new ATOM 0 HG SER A 96 -2.855 21.585 -4.333 1.00 0.00 H new TER 1504 SER A 96