USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -3.14 X(o=-6.7,f=-7.2!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.54! C(o=-6.7!,f=-17!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.392 USER MOD Set 2.2: A 60 GLN : amide:sc= -1.73 K(o=-2.1,f=-8.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -3.64! (180deg=-6.54!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 165:sc= -1.62 USER MOD Single : A 7 TYR OH : rot 127:sc= 1.69 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -31.5! C(o=-36!,f=-32!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 38:sc= -6.17! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 109:sc= 0.913 USER MOD Single : A 19 ASN :FLIP amide:sc=-0.00764 F(o=-1,f=-0.0076) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 72:sc= 0.349 USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 1.11 (180deg=1.04) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.36 K(o=-1.4,f=-2!) USER MOD Single : A 35 ASN : amide:sc= -0.91 X(o=-0.91,f=-0.97) USER MOD Single : A 37 MET CE :methyl -126:sc= -6.93! (180deg=-11.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.132) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -130:sc= 0 (180deg=-0.907) USER MOD Single : A 74 SER OG : rot 28:sc= 1.15 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.942 -2.226 12.389 1.00 0.00 N ATOM 2 CA MET A 1 2.977 -2.756 11.385 1.00 0.00 C ATOM 3 C MET A 1 3.042 -1.976 10.077 1.00 0.00 C ATOM 4 O MET A 1 2.874 -0.757 10.058 1.00 0.00 O ATOM 5 CB MET A 1 1.583 -2.672 11.997 1.00 0.00 C ATOM 6 CG MET A 1 0.440 -3.005 11.061 1.00 0.00 C ATOM 7 SD MET A 1 -1.133 -2.361 11.661 1.00 0.00 S ATOM 8 CE MET A 1 -1.859 -3.839 12.364 1.00 0.00 C ATOM 0 H1 MET A 1 3.477 -2.162 13.317 1.00 0.00 H new ATOM 0 H2 MET A 1 4.760 -2.865 12.455 1.00 0.00 H new ATOM 0 H3 MET A 1 4.263 -1.281 12.097 1.00 0.00 H new ATOM 0 HA MET A 1 3.228 -3.789 11.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.539 -3.347 12.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.434 -1.663 12.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.648 -2.592 10.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.369 -4.087 10.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.839 -3.602 12.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.966 -4.596 11.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.214 -4.220 13.156 1.00 0.00 H new ATOM 20 N PHE A 2 3.287 -2.689 8.981 1.00 0.00 N ATOM 21 CA PHE A 2 3.376 -2.057 7.674 1.00 0.00 C ATOM 22 C PHE A 2 2.052 -1.408 7.301 1.00 0.00 C ATOM 23 O PHE A 2 0.993 -1.796 7.796 1.00 0.00 O ATOM 24 CB PHE A 2 3.782 -3.074 6.607 1.00 0.00 C ATOM 25 CG PHE A 2 5.178 -3.600 6.776 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.438 -4.640 7.654 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.228 -3.057 6.057 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.719 -5.128 7.810 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.512 -3.541 6.209 1.00 0.00 C ATOM 30 CZ PHE A 2 7.758 -4.578 7.087 1.00 0.00 C ATOM 0 H PHE A 2 3.426 -3.699 8.974 1.00 0.00 H new ATOM 0 HA PHE A 2 4.142 -1.283 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.083 -3.910 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.694 -2.611 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.629 -5.074 8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.041 -2.246 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.908 -5.939 8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.323 -3.109 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.762 -4.958 7.208 1.00 0.00 H new ATOM 40 N LYS A 3 2.125 -0.416 6.430 1.00 0.00 N ATOM 41 CA LYS A 3 0.944 0.304 5.983 1.00 0.00 C ATOM 42 C LYS A 3 0.898 0.341 4.464 1.00 0.00 C ATOM 43 O LYS A 3 1.826 0.828 3.829 1.00 0.00 O ATOM 44 CB LYS A 3 0.977 1.725 6.536 1.00 0.00 C ATOM 45 CG LYS A 3 0.432 1.843 7.947 1.00 0.00 C ATOM 46 CD LYS A 3 1.537 1.667 8.976 1.00 0.00 C ATOM 47 CE LYS A 3 0.974 1.288 10.337 1.00 0.00 C ATOM 48 NZ LYS A 3 0.235 2.418 10.966 1.00 0.00 N ATOM 0 H LYS A 3 2.997 -0.089 6.015 1.00 0.00 H new ATOM 0 HA LYS A 3 0.053 -0.207 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.005 2.087 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.401 2.375 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.040 2.817 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.341 1.091 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.230 0.896 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.107 2.592 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.306 0.433 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.787 0.976 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.133 2.120 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.878 3.225 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.557 2.699 10.353 1.00 0.00 H new ATOM 62 N VAL A 4 -0.170 -0.187 3.878 1.00 0.00 N ATOM 63 CA VAL A 4 -0.286 -0.207 2.425 1.00 0.00 C ATOM 64 C VAL A 4 -1.439 0.648 1.915 1.00 0.00 C ATOM 65 O VAL A 4 -2.594 0.440 2.280 1.00 0.00 O ATOM 66 CB VAL A 4 -0.463 -1.647 1.891 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.039 -1.642 0.479 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.860 -2.386 1.916 1.00 0.00 C ATOM 0 H VAL A 4 -0.957 -0.601 4.377 1.00 0.00 H new ATOM 0 HA VAL A 4 0.648 0.213 2.052 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.168 -2.164 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.153 -2.668 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.012 -1.151 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.365 -1.104 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.719 -3.398 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.582 -1.862 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.233 -2.430 2.939 1.00 0.00 H new ATOM 78 N TYR A 5 -1.113 1.575 1.025 1.00 0.00 N ATOM 79 CA TYR A 5 -2.111 2.430 0.407 1.00 0.00 C ATOM 80 C TYR A 5 -2.353 1.939 -1.014 1.00 0.00 C ATOM 81 O TYR A 5 -1.524 2.149 -1.898 1.00 0.00 O ATOM 82 CB TYR A 5 -1.653 3.891 0.372 1.00 0.00 C ATOM 83 CG TYR A 5 -1.542 4.558 1.726 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.796 3.990 2.751 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.160 5.780 1.964 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.670 4.622 3.975 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.045 6.414 3.187 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.296 5.832 4.187 1.00 0.00 C ATOM 89 OH TYR A 5 -1.174 6.462 5.405 1.00 0.00 O ATOM 0 H TYR A 5 -0.158 1.753 0.715 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.028 2.383 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.682 3.940 -0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.351 4.461 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.307 3.041 2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.740 6.242 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.084 4.170 4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.539 7.359 3.358 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.463 7.395 5.321 1.00 0.00 H new ATOM 99 N GLY A 6 -3.473 1.268 -1.232 1.00 0.00 N ATOM 100 CA GLY A 6 -3.762 0.750 -2.551 1.00 0.00 C ATOM 101 C GLY A 6 -5.191 0.294 -2.688 1.00 0.00 C ATOM 102 O GLY A 6 -6.119 1.025 -2.321 1.00 0.00 O ATOM 0 H GLY A 6 -4.182 1.074 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.556 1.520 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.095 -0.085 -2.765 1.00 0.00 H new ATOM 106 N TYR A 7 -5.387 -0.904 -3.235 1.00 0.00 N ATOM 107 CA TYR A 7 -6.717 -1.410 -3.428 1.00 0.00 C ATOM 108 C TYR A 7 -6.878 -2.873 -2.979 1.00 0.00 C ATOM 109 O TYR A 7 -5.926 -3.648 -3.034 1.00 0.00 O ATOM 110 CB TYR A 7 -7.097 -1.227 -4.892 1.00 0.00 C ATOM 111 CG TYR A 7 -7.112 0.224 -5.321 1.00 0.00 C ATOM 112 CD1 TYR A 7 -5.951 0.822 -5.785 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.270 1.006 -5.250 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.930 2.147 -6.165 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.251 2.330 -5.630 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.082 2.898 -6.085 1.00 0.00 C ATOM 117 OH TYR A 7 -7.066 4.220 -6.467 1.00 0.00 O ATOM 0 H TYR A 7 -4.641 -1.527 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.397 -0.842 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.393 -1.778 -5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.082 -1.661 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.045 0.238 -5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.190 0.566 -4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.015 2.594 -6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.152 2.922 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.780 4.381 -7.118 1.00 0.00 H new ATOM 127 N ASP A 8 -8.092 -3.246 -2.520 1.00 0.00 N ATOM 128 CA ASP A 8 -8.347 -4.619 -2.060 1.00 0.00 C ATOM 129 C ASP A 8 -9.835 -5.028 -2.120 1.00 0.00 C ATOM 130 O ASP A 8 -10.172 -6.089 -2.647 1.00 0.00 O ATOM 131 CB ASP A 8 -7.835 -4.819 -0.633 1.00 0.00 C ATOM 132 CG ASP A 8 -8.376 -3.790 0.341 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.684 -2.660 -0.094 1.00 0.00 O ATOM 134 OD2 ASP A 8 -8.491 -4.116 1.542 1.00 0.00 O ATOM 0 H ASP A 8 -8.897 -2.623 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.804 -5.261 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.112 -5.816 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.746 -4.773 -0.634 1.00 0.00 H new ATOM 139 N SER A 9 -10.707 -4.201 -1.543 1.00 0.00 N ATOM 140 CA SER A 9 -12.157 -4.478 -1.480 1.00 0.00 C ATOM 141 C SER A 9 -12.796 -4.797 -2.844 1.00 0.00 C ATOM 142 O SER A 9 -12.114 -4.902 -3.863 1.00 0.00 O ATOM 143 CB SER A 9 -12.881 -3.288 -0.843 1.00 0.00 C ATOM 144 OG SER A 9 -13.674 -3.706 0.253 1.00 0.00 O ATOM 0 H SER A 9 -10.437 -3.320 -1.105 1.00 0.00 H new ATOM 0 HA SER A 9 -12.268 -5.376 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.152 -2.550 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.510 -2.800 -1.587 1.00 0.00 H new ATOM 0 HG SER A 9 -14.125 -2.930 0.645 1.00 0.00 H new ATOM 150 N ASN A 10 -14.135 -4.947 -2.832 1.00 0.00 N ATOM 151 CA ASN A 10 -14.916 -5.251 -4.042 1.00 0.00 C ATOM 152 C ASN A 10 -14.784 -4.123 -5.058 1.00 0.00 C ATOM 153 O ASN A 10 -14.468 -4.354 -6.225 1.00 0.00 O ATOM 154 CB ASN A 10 -16.389 -5.466 -3.686 1.00 0.00 C ATOM 155 CG ASN A 10 -16.990 -6.656 -4.409 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.299 -7.680 -3.799 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.152 -6.527 -5.720 1.00 0.00 N ATOM 0 H ASN A 10 -14.701 -4.861 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.524 -6.167 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.482 -5.613 -2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.955 -4.569 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.547 -7.295 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.882 -5.660 -6.184 1.00 0.00 H new ATOM 164 N ILE A 11 -14.963 -2.894 -4.582 1.00 0.00 N ATOM 165 CA ILE A 11 -14.795 -1.712 -5.423 1.00 0.00 C ATOM 166 C ILE A 11 -13.341 -1.345 -5.378 1.00 0.00 C ATOM 167 O ILE A 11 -12.987 -0.177 -5.500 1.00 0.00 O ATOM 168 CB ILE A 11 -15.502 -0.457 -4.871 1.00 0.00 C ATOM 169 CG1 ILE A 11 -15.249 -0.326 -3.371 1.00 0.00 C ATOM 170 CG2 ILE A 11 -16.970 -0.400 -5.186 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.351 -0.886 -2.495 1.00 0.00 C ATOM 0 H ILE A 11 -15.225 -2.690 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.198 -1.965 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.064 0.398 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.316 -0.834 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.111 0.728 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.397 0.510 -4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.110 -0.401 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.469 -1.268 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.087 -0.750 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.284 -0.363 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.476 -1.949 -2.703 1.00 0.00 H new ATOM 183 N HIS A 12 -12.500 -2.303 -5.043 1.00 0.00 N ATOM 184 CA HIS A 12 -11.146 -1.948 -4.823 1.00 0.00 C ATOM 185 C HIS A 12 -10.264 -3.129 -5.212 1.00 0.00 C ATOM 186 O HIS A 12 -9.804 -3.907 -4.382 1.00 0.00 O ATOM 187 CB HIS A 12 -11.172 -1.695 -3.344 1.00 0.00 C ATOM 188 CG HIS A 12 -10.426 -0.530 -2.844 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.130 -0.268 -2.787 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -11.058 0.544 -2.279 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.929 0.964 -2.186 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -10.130 1.406 -1.899 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.732 -3.289 -4.925 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.757 -1.103 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.213 -1.585 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.786 -2.583 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.125 0.666 -2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.986 1.455 -1.995 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.323 2.298 -1.443 1.00 0.00 H new ATOM 200 N LYS A 13 -10.102 -3.251 -6.504 1.00 0.00 N ATOM 201 CA LYS A 13 -9.340 -4.337 -7.147 1.00 0.00 C ATOM 202 C LYS A 13 -7.867 -4.372 -6.739 1.00 0.00 C ATOM 203 O LYS A 13 -7.355 -3.422 -6.170 1.00 0.00 O ATOM 204 CB LYS A 13 -9.449 -4.199 -8.669 1.00 0.00 C ATOM 205 CG LYS A 13 -9.184 -5.491 -9.429 1.00 0.00 C ATOM 206 CD LYS A 13 -7.856 -5.443 -10.168 1.00 0.00 C ATOM 207 CE LYS A 13 -7.390 -6.833 -10.569 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.812 -7.179 -11.955 1.00 0.00 N ATOM 0 H LYS A 13 -10.499 -2.590 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.778 -5.276 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.447 -3.840 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.743 -3.440 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.184 -6.330 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.991 -5.667 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.956 -4.821 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.103 -4.974 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.304 -6.888 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.794 -7.567 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.476 -8.134 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.850 -7.151 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.406 -6.493 -12.623 1.00 0.00 H new ATOM 222 N CYS A 14 -7.189 -5.484 -7.062 1.00 0.00 N ATOM 223 CA CYS A 14 -5.761 -5.655 -6.750 1.00 0.00 C ATOM 224 C CYS A 14 -5.305 -7.092 -7.001 1.00 0.00 C ATOM 225 O CYS A 14 -5.703 -8.013 -6.291 1.00 0.00 O ATOM 226 CB CYS A 14 -5.462 -5.282 -5.293 1.00 0.00 C ATOM 227 SG CYS A 14 -6.247 -6.362 -4.074 1.00 0.00 S ATOM 0 H CYS A 14 -7.608 -6.281 -7.541 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.211 -4.986 -7.412 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.383 -5.303 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.789 -4.257 -5.118 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.223 -7.589 -4.502 1.00 0.00 H new ATOM 233 N VAL A 15 -4.460 -7.281 -8.009 1.00 0.00 N ATOM 234 CA VAL A 15 -3.950 -8.615 -8.336 1.00 0.00 C ATOM 235 C VAL A 15 -2.638 -8.909 -7.617 1.00 0.00 C ATOM 236 O VAL A 15 -2.391 -10.040 -7.202 1.00 0.00 O ATOM 237 CB VAL A 15 -3.739 -8.797 -9.850 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.058 -9.116 -10.528 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.103 -7.559 -10.461 1.00 0.00 C ATOM 0 H VAL A 15 -4.113 -6.535 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.711 -9.318 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.058 -9.634 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.896 -9.242 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.468 -10.036 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.760 -8.299 -10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.964 -7.712 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.752 -6.699 -10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.136 -7.377 -9.992 1.00 0.00 H new ATOM 249 N TYR A 16 -1.794 -7.893 -7.490 1.00 0.00 N ATOM 250 CA TYR A 16 -0.500 -8.051 -6.837 1.00 0.00 C ATOM 251 C TYR A 16 -0.644 -8.141 -5.321 1.00 0.00 C ATOM 252 O TYR A 16 0.260 -8.613 -4.632 1.00 0.00 O ATOM 253 CB TYR A 16 0.426 -6.892 -7.209 1.00 0.00 C ATOM 254 CG TYR A 16 1.442 -7.249 -8.271 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.084 -8.025 -9.368 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.757 -6.814 -8.178 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.009 -8.357 -10.339 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.688 -7.142 -9.146 1.00 0.00 C ATOM 259 CZ TYR A 16 3.309 -7.913 -10.224 1.00 0.00 C ATOM 260 OH TYR A 16 4.233 -8.242 -11.190 1.00 0.00 O ATOM 0 H TYR A 16 -1.982 -6.950 -7.831 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.064 -8.986 -7.188 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.176 -6.054 -7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.950 -6.555 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.066 -8.374 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.058 -6.209 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.715 -8.962 -11.184 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.707 -6.796 -9.058 1.00 0.00 H new ATOM 0 HH TYR A 16 5.101 -7.850 -10.960 1.00 0.00 H new ATOM 270 N CYS A 17 -1.780 -7.687 -4.798 1.00 0.00 N ATOM 271 CA CYS A 17 -2.013 -7.732 -3.361 1.00 0.00 C ATOM 272 C CYS A 17 -1.970 -9.169 -2.855 1.00 0.00 C ATOM 273 O CYS A 17 -1.249 -9.482 -1.908 1.00 0.00 O ATOM 274 CB CYS A 17 -3.358 -7.100 -3.012 1.00 0.00 C ATOM 275 SG CYS A 17 -3.603 -6.823 -1.242 1.00 0.00 S ATOM 0 H CYS A 17 -2.545 -7.288 -5.342 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.221 -7.163 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.447 -6.147 -3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.157 -7.742 -3.383 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.559 -5.548 -0.992 1.00 0.00 H new ATOM 281 N ASP A 18 -2.741 -10.041 -3.499 1.00 0.00 N ATOM 282 CA ASP A 18 -2.789 -11.450 -3.117 1.00 0.00 C ATOM 283 C ASP A 18 -1.378 -12.014 -2.971 1.00 0.00 C ATOM 284 O ASP A 18 -1.129 -12.900 -2.152 1.00 0.00 O ATOM 285 CB ASP A 18 -3.564 -12.254 -4.164 1.00 0.00 C ATOM 286 CG ASP A 18 -4.428 -13.334 -3.543 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.523 -13.003 -3.043 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.010 -14.511 -3.559 1.00 0.00 O ATOM 0 H ASP A 18 -3.341 -9.797 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.299 -11.529 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.193 -11.579 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.861 -12.711 -4.860 1.00 0.00 H new ATOM 293 N ASN A 19 -0.457 -11.487 -3.771 1.00 0.00 N ATOM 294 CA ASN A 19 0.931 -11.926 -3.738 1.00 0.00 C ATOM 295 C ASN A 19 1.667 -11.311 -2.549 1.00 0.00 C ATOM 296 O ASN A 19 2.215 -12.025 -1.711 1.00 0.00 O ATOM 297 CB ASN A 19 1.632 -11.554 -5.047 1.00 0.00 C ATOM 298 CG ASN A 19 0.956 -12.175 -6.256 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.097 -11.528 -6.746 1.00 0.00 O flip ATOM 300 ND2 ASN A 19 1.375 -13.225 -6.744 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.649 -10.753 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 19 0.946 -13.010 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.643 -10.470 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.671 -11.881 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.187 -13.689 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.910 -13.631 -7.556 1.00 0.00 H new ATOM 307 N ALA A 20 1.672 -9.982 -2.482 1.00 0.00 N ATOM 308 CA ALA A 20 2.338 -9.272 -1.396 1.00 0.00 C ATOM 309 C ALA A 20 1.809 -9.715 -0.035 1.00 0.00 C ATOM 310 O ALA A 20 2.582 -9.972 0.887 1.00 0.00 O ATOM 311 CB ALA A 20 2.159 -7.771 -1.567 1.00 0.00 C ATOM 0 H ALA A 20 1.222 -9.376 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 20 3.400 -9.514 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.660 -7.250 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.592 -7.459 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.097 -7.528 -1.555 1.00 0.00 H new ATOM 317 N LYS A 21 0.487 -9.814 0.083 1.00 0.00 N ATOM 318 CA LYS A 21 -0.137 -10.229 1.335 1.00 0.00 C ATOM 319 C LYS A 21 0.383 -11.594 1.766 1.00 0.00 C ATOM 320 O LYS A 21 0.839 -11.768 2.895 1.00 0.00 O ATOM 321 CB LYS A 21 -1.660 -10.272 1.186 1.00 0.00 C ATOM 322 CG LYS A 21 -2.386 -10.680 2.458 1.00 0.00 C ATOM 323 CD LYS A 21 -3.710 -9.947 2.604 1.00 0.00 C ATOM 324 CE LYS A 21 -4.791 -10.572 1.736 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.006 -9.715 1.660 1.00 0.00 N ATOM 0 H LYS A 21 -0.170 -9.613 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 21 0.121 -9.499 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.014 -9.289 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.919 -10.970 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.564 -11.755 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.755 -10.469 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.024 -9.965 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.580 -8.900 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.400 -10.737 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.060 -11.549 2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.719 -10.176 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.394 -9.578 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.755 -8.792 1.252 1.00 0.00 H new ATOM 339 N ARG A 22 0.320 -12.562 0.854 1.00 0.00 N ATOM 340 CA ARG A 22 0.798 -13.911 1.143 1.00 0.00 C ATOM 341 C ARG A 22 2.248 -13.863 1.615 1.00 0.00 C ATOM 342 O ARG A 22 2.627 -14.540 2.571 1.00 0.00 O ATOM 343 CB ARG A 22 0.677 -14.800 -0.096 1.00 0.00 C ATOM 344 CG ARG A 22 -0.646 -15.545 -0.183 1.00 0.00 C ATOM 345 CD ARG A 22 -0.440 -17.020 -0.493 1.00 0.00 C ATOM 346 NE ARG A 22 0.474 -17.221 -1.614 1.00 0.00 N ATOM 347 CZ ARG A 22 0.843 -18.418 -2.064 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.380 -19.523 -1.491 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.679 -18.512 -3.090 1.00 0.00 N ATOM 0 H ARG A 22 -0.055 -12.438 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 22 0.181 -14.335 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.797 -14.185 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.492 -15.523 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.184 -15.443 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.268 -15.094 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.047 -17.525 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.401 -17.480 -0.722 1.00 0.00 H new ATOM 0 HE ARG A 22 0.852 -16.396 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.262 -19.457 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.667 -20.437 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.039 -17.667 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.962 -19.429 -3.435 1.00 0.00 H new ATOM 363 N LEU A 23 3.045 -13.037 0.946 1.00 0.00 N ATOM 364 CA LEU A 23 4.449 -12.868 1.296 1.00 0.00 C ATOM 365 C LEU A 23 4.582 -12.419 2.747 1.00 0.00 C ATOM 366 O LEU A 23 5.297 -13.035 3.538 1.00 0.00 O ATOM 367 CB LEU A 23 5.096 -11.840 0.355 1.00 0.00 C ATOM 368 CG LEU A 23 6.384 -11.181 0.862 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.200 -10.646 -0.303 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.062 -10.058 1.839 1.00 0.00 C ATOM 0 H LEU A 23 2.740 -12.471 0.154 1.00 0.00 H new ATOM 0 HA LEU A 23 4.962 -13.823 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.312 -12.331 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.367 -11.056 0.149 1.00 0.00 H new ATOM 0 HG LEU A 23 6.973 -11.936 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.111 -10.181 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.461 -11.466 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.614 -9.906 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.989 -9.602 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.453 -9.305 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.514 -10.462 2.690 1.00 0.00 H new ATOM 382 N LEU A 24 3.883 -11.341 3.086 1.00 0.00 N ATOM 383 CA LEU A 24 3.916 -10.800 4.438 1.00 0.00 C ATOM 384 C LEU A 24 3.472 -11.846 5.452 1.00 0.00 C ATOM 385 O LEU A 24 4.124 -12.045 6.478 1.00 0.00 O ATOM 386 CB LEU A 24 3.025 -9.564 4.531 1.00 0.00 C ATOM 387 CG LEU A 24 3.671 -8.274 4.031 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.617 -7.294 3.555 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.519 -7.651 5.123 1.00 0.00 C ATOM 0 H LEU A 24 3.286 -10.824 2.441 1.00 0.00 H new ATOM 0 HA LEU A 24 4.943 -10.516 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.115 -9.745 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.726 -9.426 5.570 1.00 0.00 H new ATOM 0 HG LEU A 24 4.315 -8.519 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.100 -6.382 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.047 -7.740 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.945 -7.054 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.973 -6.732 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.892 -7.423 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.302 -8.349 5.418 1.00 0.00 H new ATOM 401 N THR A 25 2.366 -12.523 5.157 1.00 0.00 N ATOM 402 CA THR A 25 1.851 -13.557 6.043 1.00 0.00 C ATOM 403 C THR A 25 2.931 -14.604 6.301 1.00 0.00 C ATOM 404 O THR A 25 3.061 -15.124 7.408 1.00 0.00 O ATOM 405 CB THR A 25 0.614 -14.217 5.432 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.408 -13.261 5.215 1.00 0.00 O ATOM 407 CG2 THR A 25 0.034 -15.321 6.290 1.00 0.00 C ATOM 0 H THR A 25 1.812 -12.373 4.314 1.00 0.00 H new ATOM 0 HA THR A 25 1.566 -13.098 6.989 1.00 0.00 H new ATOM 0 HB THR A 25 0.956 -14.653 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.162 -12.685 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.840 -15.744 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.782 -16.100 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.258 -14.914 7.258 1.00 0.00 H new ATOM 415 N VAL A 26 3.713 -14.886 5.263 1.00 0.00 N ATOM 416 CA VAL A 26 4.801 -15.851 5.353 1.00 0.00 C ATOM 417 C VAL A 26 6.019 -15.224 6.024 1.00 0.00 C ATOM 418 O VAL A 26 6.802 -15.907 6.685 1.00 0.00 O ATOM 419 CB VAL A 26 5.201 -16.366 3.956 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.279 -17.432 4.057 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.982 -16.900 3.216 1.00 0.00 C ATOM 0 H VAL A 26 3.611 -14.456 4.344 1.00 0.00 H new ATOM 0 HA VAL A 26 4.448 -16.690 5.952 1.00 0.00 H new ATOM 0 HB VAL A 26 5.609 -15.529 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.543 -17.778 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.161 -17.013 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.907 -18.271 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.282 -17.259 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.542 -17.720 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.247 -16.103 3.102 1.00 0.00 H new ATOM 431 N LYS A 27 6.169 -13.914 5.847 1.00 0.00 N ATOM 432 CA LYS A 27 7.283 -13.177 6.433 1.00 0.00 C ATOM 433 C LYS A 27 7.121 -13.047 7.948 1.00 0.00 C ATOM 434 O LYS A 27 8.052 -12.643 8.645 1.00 0.00 O ATOM 435 CB LYS A 27 7.376 -11.782 5.804 1.00 0.00 C ATOM 436 CG LYS A 27 8.589 -11.582 4.904 1.00 0.00 C ATOM 437 CD LYS A 27 9.900 -11.710 5.669 1.00 0.00 C ATOM 438 CE LYS A 27 9.975 -10.751 6.849 1.00 0.00 C ATOM 439 NZ LYS A 27 10.298 -11.457 8.119 1.00 0.00 N ATOM 0 H LYS A 27 5.529 -13.339 5.299 1.00 0.00 H new ATOM 0 HA LYS A 27 8.199 -13.732 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.472 -11.597 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.402 -11.038 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.567 -12.316 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.536 -10.598 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.011 -12.733 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.733 -11.517 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.733 -9.992 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.023 -10.231 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.732 -10.788 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.426 -11.843 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.963 -12.233 7.925 1.00 0.00 H new ATOM 453 N LYS A 28 5.932 -13.374 8.451 1.00 0.00 N ATOM 454 CA LYS A 28 5.654 -13.276 9.879 1.00 0.00 C ATOM 455 C LYS A 28 5.727 -11.822 10.330 1.00 0.00 C ATOM 456 O LYS A 28 6.281 -11.510 11.385 1.00 0.00 O ATOM 457 CB LYS A 28 6.643 -14.129 10.680 1.00 0.00 C ATOM 458 CG LYS A 28 6.126 -15.523 11.007 1.00 0.00 C ATOM 459 CD LYS A 28 4.792 -15.477 11.741 1.00 0.00 C ATOM 460 CE LYS A 28 4.817 -14.488 12.896 1.00 0.00 C ATOM 461 NZ LYS A 28 3.686 -14.706 13.841 1.00 0.00 N ATOM 0 H LYS A 28 5.148 -13.708 7.890 1.00 0.00 H new ATOM 0 HA LYS A 28 4.647 -13.652 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.571 -14.219 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.884 -13.613 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.014 -16.094 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.859 -16.048 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.002 -15.200 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.550 -16.471 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.761 -14.581 13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.772 -13.472 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.740 -14.011 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.784 -14.592 13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.743 -15.667 14.235 1.00 0.00 H new ATOM 475 N GLN A 29 5.167 -10.933 9.515 1.00 0.00 N ATOM 476 CA GLN A 29 5.171 -9.508 9.816 1.00 0.00 C ATOM 477 C GLN A 29 3.750 -8.950 9.859 1.00 0.00 C ATOM 478 O GLN A 29 2.976 -9.140 8.921 1.00 0.00 O ATOM 479 CB GLN A 29 5.985 -8.751 8.763 1.00 0.00 C ATOM 480 CG GLN A 29 7.460 -8.627 9.107 1.00 0.00 C ATOM 481 CD GLN A 29 7.697 -7.860 10.393 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.852 -6.639 10.382 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.726 -8.575 11.512 1.00 0.00 N ATOM 0 H GLN A 29 4.704 -11.177 8.639 1.00 0.00 H new ATOM 0 HA GLN A 29 5.626 -9.374 10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.886 -9.260 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.564 -7.753 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.893 -9.623 9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.979 -8.127 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.593 -9.586 11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.881 -8.113 12.408 1.00 0.00 H new ATOM 492 N PRO A 30 3.391 -8.231 10.938 1.00 0.00 N ATOM 493 CA PRO A 30 2.065 -7.631 11.070 1.00 0.00 C ATOM 494 C PRO A 30 1.950 -6.372 10.224 1.00 0.00 C ATOM 495 O PRO A 30 2.895 -5.590 10.148 1.00 0.00 O ATOM 496 CB PRO A 30 1.997 -7.278 12.553 1.00 0.00 C ATOM 497 CG PRO A 30 3.408 -6.962 12.905 1.00 0.00 C ATOM 498 CD PRO A 30 4.248 -7.922 12.102 1.00 0.00 C ATOM 0 HA PRO A 30 1.263 -8.291 10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.339 -6.427 12.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.613 -8.109 13.145 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.651 -5.928 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.583 -7.086 13.974 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.193 -7.472 11.798 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.491 -8.819 12.672 1.00 0.00 H new ATOM 506 N PHE A 31 0.807 -6.175 9.584 1.00 0.00 N ATOM 507 CA PHE A 31 0.624 -5.000 8.746 1.00 0.00 C ATOM 508 C PHE A 31 -0.845 -4.625 8.588 1.00 0.00 C ATOM 509 O PHE A 31 -1.736 -5.382 8.974 1.00 0.00 O ATOM 510 CB PHE A 31 1.241 -5.231 7.387 1.00 0.00 C ATOM 511 CG PHE A 31 0.580 -6.344 6.646 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.803 -7.651 7.026 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.281 -6.087 5.599 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.183 -8.691 6.372 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.907 -7.121 4.934 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.676 -8.429 5.321 1.00 0.00 C ATOM 0 H PHE A 31 0.004 -6.803 9.627 1.00 0.00 H new ATOM 0 HA PHE A 31 1.124 -4.169 9.243 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.173 -4.316 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.301 -5.456 7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.473 -7.861 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.467 -5.067 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.367 -9.710 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.576 -6.910 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.165 -9.242 4.804 1.00 0.00 H new ATOM 526 N GLU A 32 -1.088 -3.453 8.002 1.00 0.00 N ATOM 527 CA GLU A 32 -2.449 -2.978 7.777 1.00 0.00 C ATOM 528 C GLU A 32 -2.600 -2.378 6.384 1.00 0.00 C ATOM 529 O GLU A 32 -1.761 -1.600 5.931 1.00 0.00 O ATOM 530 CB GLU A 32 -2.842 -1.945 8.834 1.00 0.00 C ATOM 531 CG GLU A 32 -4.218 -1.335 8.609 1.00 0.00 C ATOM 532 CD GLU A 32 -4.976 -1.104 9.903 1.00 0.00 C ATOM 533 OE1 GLU A 32 -4.577 -1.680 10.938 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.968 -0.346 9.882 1.00 0.00 O ATOM 0 H GLU A 32 -0.360 -2.817 7.676 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.115 -3.837 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.819 -2.416 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.098 -1.148 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.109 -0.387 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.801 -1.992 7.964 1.00 0.00 H new ATOM 541 N PHE A 33 -3.681 -2.754 5.715 1.00 0.00 N ATOM 542 CA PHE A 33 -3.977 -2.276 4.375 1.00 0.00 C ATOM 543 C PHE A 33 -4.821 -1.004 4.423 1.00 0.00 C ATOM 544 O PHE A 33 -5.518 -0.748 5.404 1.00 0.00 O ATOM 545 CB PHE A 33 -4.731 -3.369 3.624 1.00 0.00 C ATOM 546 CG PHE A 33 -4.596 -3.306 2.136 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.399 -3.623 1.519 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.676 -2.950 1.352 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.285 -3.587 0.140 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.570 -2.906 -0.021 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.376 -3.227 -0.631 1.00 0.00 C ATOM 0 H PHE A 33 -4.377 -3.400 6.088 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.043 -2.041 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.375 -4.340 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.788 -3.307 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.545 -3.901 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.617 -2.703 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.347 -3.839 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.422 -2.620 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.293 -3.198 -1.707 1.00 0.00 H new ATOM 561 N ILE A 34 -4.763 -0.221 3.351 1.00 0.00 N ATOM 562 CA ILE A 34 -5.531 1.012 3.257 1.00 0.00 C ATOM 563 C ILE A 34 -6.226 1.096 1.907 1.00 0.00 C ATOM 564 O ILE A 34 -5.593 1.051 0.852 1.00 0.00 O ATOM 565 CB ILE A 34 -4.663 2.252 3.482 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.854 2.076 4.766 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.535 3.498 3.559 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.975 3.256 5.097 1.00 0.00 C ATOM 0 H ILE A 34 -4.189 -0.421 2.532 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.279 0.990 4.050 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.976 2.373 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.539 1.901 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.232 1.186 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.906 4.373 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.087 3.614 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.238 3.400 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.432 3.057 6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.265 3.419 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.592 4.146 5.223 1.00 0.00 H new ATOM 580 N ASN A 35 -7.540 1.171 1.971 1.00 0.00 N ATOM 581 CA ASN A 35 -8.386 1.212 0.781 1.00 0.00 C ATOM 582 C ASN A 35 -8.840 2.626 0.429 1.00 0.00 C ATOM 583 O ASN A 35 -9.553 3.271 1.198 1.00 0.00 O ATOM 584 CB ASN A 35 -9.608 0.318 1.005 1.00 0.00 C ATOM 585 CG ASN A 35 -10.461 0.793 2.165 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.180 0.488 3.324 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.512 1.544 1.857 1.00 0.00 N ATOM 0 H ASN A 35 -8.059 1.206 2.849 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.792 0.851 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.211 0.297 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.279 -0.704 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.124 1.892 2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.707 1.773 0.882 1.00 0.00 H new ATOM 594 N ILE A 36 -8.439 3.090 -0.759 1.00 0.00 N ATOM 595 CA ILE A 36 -8.828 4.422 -1.230 1.00 0.00 C ATOM 596 C ILE A 36 -9.981 4.397 -2.259 1.00 0.00 C ATOM 597 O ILE A 36 -9.793 4.760 -3.418 1.00 0.00 O ATOM 598 CB ILE A 36 -7.631 5.178 -1.837 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.928 4.327 -2.894 1.00 0.00 C ATOM 600 CG2 ILE A 36 -6.663 5.576 -0.738 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.763 5.033 -3.555 1.00 0.00 C ATOM 0 H ILE A 36 -7.850 2.567 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.185 4.944 -0.342 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.999 6.080 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.571 3.407 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.650 4.040 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.818 6.110 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.171 6.222 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.303 4.682 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.309 4.373 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.118 5.939 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.022 5.296 -2.801 1.00 0.00 H new ATOM 613 N MET A 37 -11.184 4.016 -1.807 1.00 0.00 N ATOM 614 CA MET A 37 -12.391 3.996 -2.665 1.00 0.00 C ATOM 615 C MET A 37 -13.653 3.807 -1.838 1.00 0.00 C ATOM 616 O MET A 37 -14.149 2.690 -1.692 1.00 0.00 O ATOM 617 CB MET A 37 -12.364 2.929 -3.782 1.00 0.00 C ATOM 618 CG MET A 37 -12.464 3.549 -5.164 1.00 0.00 C ATOM 619 SD MET A 37 -12.677 2.339 -6.475 1.00 0.00 S ATOM 620 CE MET A 37 -10.973 2.088 -6.932 1.00 0.00 C ATOM 0 H MET A 37 -11.354 3.715 -0.847 1.00 0.00 H new ATOM 0 HA MET A 37 -12.394 4.971 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 37 -11.442 2.352 -3.710 1.00 0.00 H new ATOM 0 HB3 MET A 37 -13.189 2.232 -3.637 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.303 4.245 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.563 4.131 -5.359 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.855 2.253 -8.003 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.343 2.790 -6.386 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.677 1.068 -6.687 1.00 0.00 H new ATOM 630 N PRO A 38 -14.213 4.904 -1.305 1.00 0.00 N ATOM 631 CA PRO A 38 -15.444 4.843 -0.523 1.00 0.00 C ATOM 632 C PRO A 38 -16.638 4.557 -1.427 1.00 0.00 C ATOM 633 O PRO A 38 -17.729 4.228 -0.961 1.00 0.00 O ATOM 634 CB PRO A 38 -15.549 6.242 0.086 1.00 0.00 C ATOM 635 CG PRO A 38 -14.821 7.123 -0.870 1.00 0.00 C ATOM 636 CD PRO A 38 -13.713 6.284 -1.450 1.00 0.00 C ATOM 0 HA PRO A 38 -15.435 4.053 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.589 6.550 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.100 6.277 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.488 7.483 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.421 8.001 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.524 6.535 -2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.776 6.430 -0.913 1.00 0.00 H new ATOM 644 N GLU A 39 -16.406 4.685 -2.733 1.00 0.00 N ATOM 645 CA GLU A 39 -17.431 4.447 -3.732 1.00 0.00 C ATOM 646 C GLU A 39 -16.803 3.948 -5.028 1.00 0.00 C ATOM 647 O GLU A 39 -15.669 4.297 -5.354 1.00 0.00 O ATOM 648 CB GLU A 39 -18.222 5.728 -3.997 1.00 0.00 C ATOM 649 CG GLU A 39 -19.411 5.911 -3.069 1.00 0.00 C ATOM 650 CD GLU A 39 -20.687 5.317 -3.633 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.620 4.220 -4.225 1.00 0.00 O ATOM 652 OE2 GLU A 39 -21.754 5.950 -3.483 1.00 0.00 O ATOM 0 H GLU A 39 -15.503 4.956 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.111 3.684 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.556 6.584 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.574 5.721 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.192 5.446 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.561 6.974 -2.882 1.00 0.00 H new ATOM 659 N LYS A 40 -17.551 3.140 -5.769 1.00 0.00 N ATOM 660 CA LYS A 40 -17.070 2.599 -7.038 1.00 0.00 C ATOM 661 C LYS A 40 -16.812 3.702 -8.053 1.00 0.00 C ATOM 662 O LYS A 40 -16.291 3.461 -9.142 1.00 0.00 O ATOM 663 CB LYS A 40 -18.064 1.580 -7.599 1.00 0.00 C ATOM 664 CG LYS A 40 -17.503 0.745 -8.739 1.00 0.00 C ATOM 665 CD LYS A 40 -18.485 0.646 -9.896 1.00 0.00 C ATOM 666 CE LYS A 40 -18.052 1.506 -11.071 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.206 1.908 -11.923 1.00 0.00 N ATOM 0 H LYS A 40 -18.493 2.844 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.123 2.096 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.382 0.916 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.952 2.106 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.570 1.187 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.266 -0.255 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.568 -0.393 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.475 0.957 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.547 2.398 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.329 0.958 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.867 2.493 -12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.674 1.058 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.884 2.454 -11.354 1.00 0.00 H new ATOM 681 N GLY A 41 -17.191 4.903 -7.680 1.00 0.00 N ATOM 682 CA GLY A 41 -17.020 6.054 -8.541 1.00 0.00 C ATOM 683 C GLY A 41 -15.604 6.593 -8.541 1.00 0.00 C ATOM 684 O GLY A 41 -14.978 6.698 -9.595 1.00 0.00 O ATOM 0 H GLY A 41 -17.623 5.110 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.299 5.783 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.702 6.842 -8.223 1.00 0.00 H new ATOM 688 N VAL A 42 -15.092 6.944 -7.364 1.00 0.00 N ATOM 689 CA VAL A 42 -13.741 7.489 -7.277 1.00 0.00 C ATOM 690 C VAL A 42 -13.068 7.175 -5.944 1.00 0.00 C ATOM 691 O VAL A 42 -13.731 6.916 -4.940 1.00 0.00 O ATOM 692 CB VAL A 42 -13.744 9.017 -7.480 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.323 9.546 -7.603 1.00 0.00 C ATOM 694 CG2 VAL A 42 -14.566 9.391 -8.704 1.00 0.00 C ATOM 0 H VAL A 42 -15.582 6.863 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.173 7.008 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.203 9.478 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.348 10.626 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.768 9.313 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.833 9.078 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.557 10.473 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.138 8.918 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.593 9.050 -8.571 1.00 0.00 H new ATOM 704 N PHE A 43 -11.738 7.212 -5.951 1.00 0.00 N ATOM 705 CA PHE A 43 -10.948 6.949 -4.752 1.00 0.00 C ATOM 706 C PHE A 43 -11.287 7.948 -3.647 1.00 0.00 C ATOM 707 O PHE A 43 -11.976 8.939 -3.883 1.00 0.00 O ATOM 708 CB PHE A 43 -9.449 7.035 -5.070 1.00 0.00 C ATOM 709 CG PHE A 43 -9.068 6.453 -6.402 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.706 5.325 -6.893 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.066 7.037 -7.165 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.352 4.791 -8.120 1.00 0.00 C ATOM 713 CE2 PHE A 43 -7.711 6.506 -8.390 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.353 5.382 -8.868 1.00 0.00 C ATOM 0 H PHE A 43 -11.182 7.423 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.189 5.944 -4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.142 8.081 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.893 6.518 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.488 4.858 -6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.558 7.916 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.857 3.912 -8.492 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.930 6.971 -8.974 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.075 4.965 -9.825 1.00 0.00 H new ATOM 724 N ASP A 44 -10.780 7.687 -2.445 1.00 0.00 N ATOM 725 CA ASP A 44 -11.019 8.569 -1.307 1.00 0.00 C ATOM 726 C ASP A 44 -9.987 9.693 -1.267 1.00 0.00 C ATOM 727 O ASP A 44 -8.871 9.505 -0.784 1.00 0.00 O ATOM 728 CB ASP A 44 -10.974 7.775 0.001 1.00 0.00 C ATOM 729 CG ASP A 44 -12.155 8.081 0.902 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.318 9.258 1.286 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.916 7.145 1.223 1.00 0.00 O ATOM 0 H ASP A 44 -10.202 6.873 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.009 9.010 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.959 6.709 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.048 8.002 0.530 1.00 0.00 H new ATOM 736 N ASP A 45 -10.368 10.865 -1.770 1.00 0.00 N ATOM 737 CA ASP A 45 -9.474 12.020 -1.789 1.00 0.00 C ATOM 738 C ASP A 45 -8.842 12.250 -0.419 1.00 0.00 C ATOM 739 O ASP A 45 -7.737 12.783 -0.317 1.00 0.00 O ATOM 740 CB ASP A 45 -10.233 13.274 -2.229 1.00 0.00 C ATOM 741 CG ASP A 45 -10.418 13.343 -3.732 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.418 13.178 -4.461 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.564 13.561 -4.180 1.00 0.00 O ATOM 0 H ASP A 45 -11.290 11.040 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.678 11.814 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.209 13.292 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.693 14.159 -1.892 1.00 0.00 H new ATOM 748 N GLU A 46 -9.547 11.842 0.633 1.00 0.00 N ATOM 749 CA GLU A 46 -9.048 12.002 1.993 1.00 0.00 C ATOM 750 C GLU A 46 -7.750 11.226 2.179 1.00 0.00 C ATOM 751 O GLU A 46 -6.722 11.793 2.551 1.00 0.00 O ATOM 752 CB GLU A 46 -10.091 11.526 3.005 1.00 0.00 C ATOM 753 CG GLU A 46 -11.501 11.997 2.692 1.00 0.00 C ATOM 754 CD GLU A 46 -12.448 11.825 3.864 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.961 11.619 4.996 1.00 0.00 O ATOM 756 OE2 GLU A 46 -13.676 11.897 3.650 1.00 0.00 O ATOM 0 H GLU A 46 -10.464 11.399 0.569 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.852 13.061 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.080 10.437 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.810 11.880 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.473 13.048 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.884 11.441 1.836 1.00 0.00 H new ATOM 763 N LYS A 47 -7.802 9.927 1.907 1.00 0.00 N ATOM 764 CA LYS A 47 -6.628 9.073 2.033 1.00 0.00 C ATOM 765 C LYS A 47 -5.531 9.538 1.084 1.00 0.00 C ATOM 766 O LYS A 47 -4.368 9.658 1.470 1.00 0.00 O ATOM 767 CB LYS A 47 -6.993 7.619 1.734 1.00 0.00 C ATOM 768 CG LYS A 47 -8.198 7.121 2.516 1.00 0.00 C ATOM 769 CD LYS A 47 -7.857 5.901 3.355 1.00 0.00 C ATOM 770 CE LYS A 47 -9.107 5.243 3.916 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.839 4.546 5.204 1.00 0.00 N ATOM 0 H LYS A 47 -8.645 9.443 1.598 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.261 9.141 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.194 7.516 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.136 6.984 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.566 7.917 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.004 6.874 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.308 5.182 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.200 6.194 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.878 5.998 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.497 4.528 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.218 3.578 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.813 4.509 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.299 5.063 5.981 1.00 0.00 H new ATOM 785 N ILE A 48 -5.915 9.810 -0.159 1.00 0.00 N ATOM 786 CA ILE A 48 -4.972 10.273 -1.170 1.00 0.00 C ATOM 787 C ILE A 48 -4.252 11.531 -0.689 1.00 0.00 C ATOM 788 O ILE A 48 -3.036 11.654 -0.830 1.00 0.00 O ATOM 789 CB ILE A 48 -5.694 10.556 -2.510 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.981 9.244 -3.243 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.879 11.491 -3.396 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.254 8.563 -2.790 1.00 0.00 C ATOM 0 H ILE A 48 -6.875 9.717 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.238 9.484 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.638 11.051 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.046 9.442 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.142 8.564 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.415 11.668 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.725 12.439 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.913 11.036 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.393 7.640 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.185 8.333 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.102 9.225 -2.964 1.00 0.00 H new ATOM 804 N ALA A 49 -5.012 12.455 -0.109 1.00 0.00 N ATOM 805 CA ALA A 49 -4.444 13.693 0.403 1.00 0.00 C ATOM 806 C ALA A 49 -3.445 13.394 1.515 1.00 0.00 C ATOM 807 O ALA A 49 -2.330 13.915 1.521 1.00 0.00 O ATOM 808 CB ALA A 49 -5.545 14.613 0.909 1.00 0.00 C ATOM 0 H ALA A 49 -6.020 12.368 0.017 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.920 14.198 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.103 15.534 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.227 14.847 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.094 14.117 1.710 1.00 0.00 H new ATOM 814 N GLU A 50 -3.853 12.539 2.446 1.00 0.00 N ATOM 815 CA GLU A 50 -2.997 12.152 3.560 1.00 0.00 C ATOM 816 C GLU A 50 -1.748 11.439 3.050 1.00 0.00 C ATOM 817 O GLU A 50 -0.640 11.689 3.526 1.00 0.00 O ATOM 818 CB GLU A 50 -3.762 11.244 4.527 1.00 0.00 C ATOM 819 CG GLU A 50 -2.887 10.614 5.600 1.00 0.00 C ATOM 820 CD GLU A 50 -3.400 10.877 7.003 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.249 10.094 7.480 1.00 0.00 O ATOM 822 OE2 GLU A 50 -2.954 11.864 7.623 1.00 0.00 O ATOM 0 H GLU A 50 -4.774 12.100 2.451 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.692 13.054 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.550 11.823 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.250 10.452 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.833 9.538 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.872 11.002 5.510 1.00 0.00 H new ATOM 829 N LEU A 51 -1.934 10.553 2.075 1.00 0.00 N ATOM 830 CA LEU A 51 -0.820 9.808 1.501 1.00 0.00 C ATOM 831 C LEU A 51 0.266 10.761 1.019 1.00 0.00 C ATOM 832 O LEU A 51 1.448 10.557 1.289 1.00 0.00 O ATOM 833 CB LEU A 51 -1.305 8.940 0.339 1.00 0.00 C ATOM 834 CG LEU A 51 -0.210 8.151 -0.381 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.689 7.445 0.622 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.824 7.148 -1.343 1.00 0.00 C ATOM 0 H LEU A 51 -2.843 10.335 1.668 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.403 9.163 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.049 8.238 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.808 9.579 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 51 0.399 8.851 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.461 6.889 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.157 8.183 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.094 6.756 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.031 6.595 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.456 6.453 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.426 7.675 -2.083 1.00 0.00 H new ATOM 848 N LEU A 52 -0.146 11.809 0.312 1.00 0.00 N ATOM 849 CA LEU A 52 0.784 12.802 -0.196 1.00 0.00 C ATOM 850 C LEU A 52 1.612 13.400 0.932 1.00 0.00 C ATOM 851 O LEU A 52 2.840 13.440 0.867 1.00 0.00 O ATOM 852 CB LEU A 52 0.015 13.876 -0.911 1.00 0.00 C ATOM 853 CG LEU A 52 -0.604 13.390 -2.204 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.434 14.481 -2.791 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.471 12.939 -3.178 1.00 0.00 C ATOM 0 H LEU A 52 -1.123 11.989 0.079 1.00 0.00 H new ATOM 0 HA LEU A 52 1.472 12.322 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.771 14.252 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.680 14.713 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.241 12.530 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.882 14.136 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.222 14.757 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.806 15.349 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.004 12.594 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.136 13.774 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.045 12.125 -2.735 1.00 0.00 H new ATOM 867 N THR A 53 0.923 13.846 1.978 1.00 0.00 N ATOM 868 CA THR A 53 1.581 14.430 3.138 1.00 0.00 C ATOM 869 C THR A 53 2.468 13.397 3.823 1.00 0.00 C ATOM 870 O THR A 53 3.520 13.730 4.369 1.00 0.00 O ATOM 871 CB THR A 53 0.540 14.964 4.124 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.297 15.920 3.500 1.00 0.00 O ATOM 873 CG2 THR A 53 1.150 15.615 5.346 1.00 0.00 C ATOM 0 H THR A 53 -0.094 13.813 2.044 1.00 0.00 H new ATOM 0 HA THR A 53 2.205 15.258 2.801 1.00 0.00 H new ATOM 0 HB THR A 53 -0.028 14.091 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.957 16.248 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.356 15.971 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.762 14.887 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.771 16.456 5.038 1.00 0.00 H new ATOM 881 N LYS A 54 2.036 12.139 3.785 1.00 0.00 N ATOM 882 CA LYS A 54 2.794 11.055 4.397 1.00 0.00 C ATOM 883 C LYS A 54 4.143 10.891 3.705 1.00 0.00 C ATOM 884 O LYS A 54 5.162 10.652 4.354 1.00 0.00 O ATOM 885 CB LYS A 54 2.007 9.742 4.329 1.00 0.00 C ATOM 886 CG LYS A 54 2.384 8.756 5.421 1.00 0.00 C ATOM 887 CD LYS A 54 1.456 7.553 5.428 1.00 0.00 C ATOM 888 CE LYS A 54 1.974 6.457 6.345 1.00 0.00 C ATOM 889 NZ LYS A 54 1.709 6.761 7.778 1.00 0.00 N ATOM 0 H LYS A 54 1.167 11.847 3.338 1.00 0.00 H new ATOM 0 HA LYS A 54 2.964 11.307 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.942 9.961 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.173 9.277 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.412 8.424 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.345 9.253 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.462 7.861 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.355 7.164 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.503 5.510 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.046 6.333 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.077 5.990 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.180 7.651 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.684 6.855 7.929 1.00 0.00 H new ATOM 903 N LEU A 55 4.139 11.030 2.384 1.00 0.00 N ATOM 904 CA LEU A 55 5.358 10.908 1.595 1.00 0.00 C ATOM 905 C LEU A 55 6.384 11.950 2.025 1.00 0.00 C ATOM 906 O LEU A 55 7.523 11.618 2.356 1.00 0.00 O ATOM 907 CB LEU A 55 5.039 11.075 0.110 1.00 0.00 C ATOM 908 CG LEU A 55 4.091 10.026 -0.480 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.497 9.701 -1.901 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.076 8.757 0.362 1.00 0.00 C ATOM 0 H LEU A 55 3.302 11.228 1.836 1.00 0.00 H new ATOM 0 HA LEU A 55 5.779 9.917 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.601 12.062 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.974 11.051 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 55 3.084 10.443 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.817 8.954 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.453 10.605 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.514 9.309 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.394 8.033 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.080 8.334 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.744 8.995 1.372 1.00 0.00 H new ATOM 922 N GLY A 56 5.968 13.212 2.017 1.00 0.00 N ATOM 923 CA GLY A 56 6.854 14.293 2.406 1.00 0.00 C ATOM 924 C GLY A 56 6.174 15.646 2.325 1.00 0.00 C ATOM 925 O GLY A 56 5.252 15.931 3.089 1.00 0.00 O ATOM 0 H GLY A 56 5.029 13.506 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.205 14.125 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.733 14.290 1.761 1.00 0.00 H new ATOM 929 N ARG A 57 6.628 16.479 1.397 1.00 0.00 N ATOM 930 CA ARG A 57 6.055 17.808 1.213 1.00 0.00 C ATOM 931 C ARG A 57 6.183 18.253 -0.238 1.00 0.00 C ATOM 932 O ARG A 57 6.347 19.438 -0.526 1.00 0.00 O ATOM 933 CB ARG A 57 6.740 18.818 2.135 1.00 0.00 C ATOM 934 CG ARG A 57 5.958 20.109 2.315 1.00 0.00 C ATOM 935 CD ARG A 57 6.865 21.255 2.729 1.00 0.00 C ATOM 936 NE ARG A 57 6.106 22.419 3.183 1.00 0.00 N ATOM 937 CZ ARG A 57 5.456 22.472 4.344 1.00 0.00 C ATOM 938 NH1 ARG A 57 5.466 21.432 5.167 1.00 0.00 N ATOM 939 NH2 ARG A 57 4.793 23.571 4.681 1.00 0.00 N ATOM 0 H ARG A 57 7.392 16.258 0.759 1.00 0.00 H new ATOM 0 HA ARG A 57 4.997 17.760 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.895 18.359 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.725 19.053 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.452 20.362 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.184 19.965 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.529 20.922 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.496 21.540 1.887 1.00 0.00 H new ATOM 0 HE ARG A 57 6.072 23.238 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.974 20.585 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.966 21.479 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.782 24.373 4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.294 23.613 5.570 1.00 0.00 H new ATOM 953 N ASP A 58 6.106 17.289 -1.146 1.00 0.00 N ATOM 954 CA ASP A 58 6.210 17.563 -2.571 1.00 0.00 C ATOM 955 C ASP A 58 4.944 17.104 -3.299 1.00 0.00 C ATOM 956 O ASP A 58 3.847 17.157 -2.742 1.00 0.00 O ATOM 957 CB ASP A 58 7.452 16.866 -3.140 1.00 0.00 C ATOM 958 CG ASP A 58 8.110 17.667 -4.246 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.437 17.937 -5.264 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.297 18.024 -4.096 1.00 0.00 O ATOM 0 H ASP A 58 5.971 16.304 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 58 6.311 18.638 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.171 16.700 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.171 15.885 -3.524 1.00 0.00 H new ATOM 965 N THR A 59 5.098 16.651 -4.540 1.00 0.00 N ATOM 966 CA THR A 59 3.965 16.185 -5.330 1.00 0.00 C ATOM 967 C THR A 59 4.153 14.725 -5.731 1.00 0.00 C ATOM 968 O THR A 59 5.229 14.156 -5.552 1.00 0.00 O ATOM 969 CB THR A 59 3.794 17.050 -6.578 1.00 0.00 C ATOM 970 OG1 THR A 59 2.773 16.532 -7.412 1.00 0.00 O ATOM 971 CG2 THR A 59 5.054 17.157 -7.411 1.00 0.00 C ATOM 0 H THR A 59 5.997 16.597 -5.019 1.00 0.00 H new ATOM 0 HA THR A 59 3.067 16.266 -4.718 1.00 0.00 H new ATOM 0 HB THR A 59 3.537 18.042 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.678 17.101 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.863 17.785 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.850 17.600 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.358 16.163 -7.740 1.00 0.00 H new ATOM 979 N GLN A 60 3.100 14.127 -6.282 1.00 0.00 N ATOM 980 CA GLN A 60 3.153 12.736 -6.716 1.00 0.00 C ATOM 981 C GLN A 60 3.193 12.647 -8.239 1.00 0.00 C ATOM 982 O GLN A 60 2.180 12.794 -8.921 1.00 0.00 O ATOM 983 CB GLN A 60 1.971 11.938 -6.145 1.00 0.00 C ATOM 984 CG GLN A 60 0.642 12.133 -6.866 1.00 0.00 C ATOM 985 CD GLN A 60 0.217 13.586 -6.949 1.00 0.00 C ATOM 986 OE1 GLN A 60 0.891 14.408 -7.572 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.906 13.912 -6.320 1.00 0.00 N ATOM 0 H GLN A 60 2.202 14.584 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 60 4.071 12.293 -6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.225 10.878 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.841 12.213 -5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.719 11.725 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.131 11.564 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.433 13.199 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.241 14.875 -6.341 1.00 0.00 H new ATOM 996 N ILE A 61 4.385 12.413 -8.762 1.00 0.00 N ATOM 997 CA ILE A 61 4.591 12.311 -10.201 1.00 0.00 C ATOM 998 C ILE A 61 4.195 10.937 -10.725 1.00 0.00 C ATOM 999 O ILE A 61 5.029 10.040 -10.842 1.00 0.00 O ATOM 1000 CB ILE A 61 6.058 12.589 -10.583 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.001 11.739 -9.731 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.375 14.068 -10.420 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.196 11.211 -10.496 1.00 0.00 C ATOM 0 H ILE A 61 5.232 12.289 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 61 3.953 13.067 -10.659 1.00 0.00 H new ATOM 0 HB ILE A 61 6.203 12.319 -11.629 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.353 12.335 -8.889 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.445 10.898 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.414 14.250 -10.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.722 14.654 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.216 14.362 -9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.821 10.617 -9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.853 10.588 -11.322 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.775 12.047 -10.888 1.00 0.00 H new ATOM 1015 N GLY A 62 2.917 10.784 -11.044 1.00 0.00 N ATOM 1016 CA GLY A 62 2.428 9.521 -11.559 1.00 0.00 C ATOM 1017 C GLY A 62 2.560 8.396 -10.556 1.00 0.00 C ATOM 1018 O GLY A 62 2.730 7.236 -10.933 1.00 0.00 O ATOM 0 H GLY A 62 2.209 11.513 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.381 9.629 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.979 9.263 -12.464 1.00 0.00 H new ATOM 1022 N LEU A 63 2.485 8.740 -9.271 1.00 0.00 N ATOM 1023 CA LEU A 63 2.595 7.748 -8.200 1.00 0.00 C ATOM 1024 C LEU A 63 1.776 6.499 -8.521 1.00 0.00 C ATOM 1025 O LEU A 63 0.795 6.563 -9.262 1.00 0.00 O ATOM 1026 CB LEU A 63 2.132 8.350 -6.870 1.00 0.00 C ATOM 1027 CG LEU A 63 3.251 8.654 -5.871 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.826 7.364 -5.305 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.344 9.483 -6.529 1.00 0.00 C ATOM 0 H LEU A 63 2.349 9.697 -8.946 1.00 0.00 H new ATOM 0 HA LEU A 63 3.642 7.458 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.589 9.273 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.426 7.662 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 63 2.830 9.232 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.620 7.600 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.039 6.807 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.231 6.759 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.131 9.689 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.762 8.931 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.923 10.423 -6.885 1.00 0.00 H new ATOM 1041 N THR A 64 2.190 5.364 -7.966 1.00 0.00 N ATOM 1042 CA THR A 64 1.495 4.106 -8.209 1.00 0.00 C ATOM 1043 C THR A 64 1.042 3.453 -6.906 1.00 0.00 C ATOM 1044 O THR A 64 1.446 3.858 -5.817 1.00 0.00 O ATOM 1045 CB THR A 64 2.398 3.144 -8.982 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.659 3.023 -8.349 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.642 3.571 -10.412 1.00 0.00 C ATOM 0 H THR A 64 2.999 5.290 -7.349 1.00 0.00 H new ATOM 0 HA THR A 64 0.608 4.329 -8.802 1.00 0.00 H new ATOM 0 HB THR A 64 1.867 2.192 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.222 2.402 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.290 2.845 -10.903 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.691 3.626 -10.942 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.121 4.550 -10.423 1.00 0.00 H new ATOM 1055 N MET A 65 0.201 2.434 -7.037 1.00 0.00 N ATOM 1056 CA MET A 65 -0.316 1.710 -5.887 1.00 0.00 C ATOM 1057 C MET A 65 0.022 0.226 -5.992 1.00 0.00 C ATOM 1058 O MET A 65 0.196 -0.300 -7.091 1.00 0.00 O ATOM 1059 CB MET A 65 -1.831 1.895 -5.781 1.00 0.00 C ATOM 1060 CG MET A 65 -2.262 3.351 -5.717 1.00 0.00 C ATOM 1061 SD MET A 65 -1.925 4.107 -4.116 1.00 0.00 S ATOM 1062 CE MET A 65 -2.227 5.833 -4.486 1.00 0.00 C ATOM 0 H MET A 65 -0.138 2.090 -7.936 1.00 0.00 H new ATOM 0 HA MET A 65 0.153 2.112 -4.989 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.308 1.421 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.191 1.379 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.746 3.913 -6.495 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.329 3.419 -5.929 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.385 6.432 -4.139 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.343 5.960 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.137 6.159 -3.982 1.00 0.00 H new ATOM 1072 N PRO A 66 0.130 -0.471 -4.849 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.065 0.103 -3.519 1.00 0.00 C ATOM 1074 C PRO A 66 1.195 0.762 -2.965 1.00 0.00 C ATOM 1075 O PRO A 66 2.310 0.466 -3.396 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.447 -1.115 -2.659 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.394 -2.301 -3.573 1.00 0.00 C ATOM 1078 CD PRO A 66 0.439 -1.892 -4.752 1.00 0.00 C ATOM 0 HA PRO A 66 -0.814 0.895 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.244 -1.235 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.443 -0.995 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.045 -3.161 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.396 -2.593 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.501 -2.070 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.163 -2.434 -5.657 1.00 0.00 H new ATOM 1086 N GLN A 67 1.003 1.645 -1.990 1.00 0.00 N ATOM 1087 CA GLN A 67 2.110 2.342 -1.350 1.00 0.00 C ATOM 1088 C GLN A 67 2.243 1.894 0.101 1.00 0.00 C ATOM 1089 O GLN A 67 1.391 2.198 0.934 1.00 0.00 O ATOM 1090 CB GLN A 67 1.892 3.855 -1.417 1.00 0.00 C ATOM 1091 CG GLN A 67 3.170 4.646 -1.634 1.00 0.00 C ATOM 1092 CD GLN A 67 3.857 4.299 -2.940 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.443 4.745 -4.011 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.914 3.500 -2.859 1.00 0.00 N ATOM 0 H GLN A 67 0.084 1.895 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 67 3.031 2.098 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.196 4.078 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.422 4.187 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.940 5.711 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.854 4.457 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.223 3.153 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.417 3.233 -3.705 1.00 0.00 H new ATOM 1103 N VAL A 68 3.303 1.152 0.395 1.00 0.00 N ATOM 1104 CA VAL A 68 3.524 0.650 1.746 1.00 0.00 C ATOM 1105 C VAL A 68 4.355 1.619 2.581 1.00 0.00 C ATOM 1106 O VAL A 68 5.001 2.520 2.045 1.00 0.00 O ATOM 1107 CB VAL A 68 4.225 -0.724 1.733 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.062 -1.421 3.076 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.688 -1.594 0.603 1.00 0.00 C ATOM 0 H VAL A 68 4.020 0.885 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 68 2.537 0.547 2.197 1.00 0.00 H new ATOM 0 HB VAL A 68 5.289 -0.563 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.563 -2.389 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.504 -0.807 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.002 -1.568 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.197 -2.558 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.617 -1.747 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.865 -1.100 -0.352 1.00 0.00 H new ATOM 1119 N PHE A 69 4.339 1.421 3.900 1.00 0.00 N ATOM 1120 CA PHE A 69 5.103 2.271 4.811 1.00 0.00 C ATOM 1121 C PHE A 69 5.686 1.446 5.957 1.00 0.00 C ATOM 1122 O PHE A 69 5.093 0.458 6.390 1.00 0.00 O ATOM 1123 CB PHE A 69 4.222 3.386 5.370 1.00 0.00 C ATOM 1124 CG PHE A 69 3.867 4.415 4.347 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.696 5.498 4.127 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.715 4.289 3.593 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.382 6.443 3.171 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.390 5.229 2.637 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.223 6.309 2.423 1.00 0.00 C ATOM 0 H PHE A 69 3.807 0.682 4.359 1.00 0.00 H new ATOM 0 HA PHE A 69 5.923 2.718 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.307 2.952 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.739 3.869 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.599 5.606 4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.062 3.444 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.038 7.285 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.485 5.120 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.972 7.047 1.675 1.00 0.00 H new ATOM 1139 N ALA A 70 6.867 1.845 6.418 1.00 0.00 N ATOM 1140 CA ALA A 70 7.562 1.136 7.491 1.00 0.00 C ATOM 1141 C ALA A 70 6.731 1.056 8.771 1.00 0.00 C ATOM 1142 O ALA A 70 5.948 1.957 9.075 1.00 0.00 O ATOM 1143 CB ALA A 70 8.899 1.802 7.775 1.00 0.00 C ATOM 0 H ALA A 70 7.367 2.661 6.064 1.00 0.00 H new ATOM 0 HA ALA A 70 7.726 0.114 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.409 1.267 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.514 1.781 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.733 2.836 8.078 1.00 0.00 H new ATOM 1149 N PRO A 71 6.908 -0.033 9.545 1.00 0.00 N ATOM 1150 CA PRO A 71 6.193 -0.242 10.813 1.00 0.00 C ATOM 1151 C PRO A 71 6.432 0.892 11.805 1.00 0.00 C ATOM 1152 O PRO A 71 5.574 1.195 12.635 1.00 0.00 O ATOM 1153 CB PRO A 71 6.796 -1.549 11.348 1.00 0.00 C ATOM 1154 CG PRO A 71 7.327 -2.238 10.145 1.00 0.00 C ATOM 1155 CD PRO A 71 7.831 -1.146 9.252 1.00 0.00 C ATOM 0 HA PRO A 71 5.113 -0.278 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.586 -1.353 12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.043 -2.155 11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.127 -2.930 10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.550 -2.822 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.865 -0.884 9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.797 -1.434 8.201 1.00 0.00 H new ATOM 1163 N ASP A 72 7.605 1.512 11.717 1.00 0.00 N ATOM 1164 CA ASP A 72 7.962 2.608 12.612 1.00 0.00 C ATOM 1165 C ASP A 72 7.534 3.957 12.040 1.00 0.00 C ATOM 1166 O ASP A 72 7.288 4.906 12.784 1.00 0.00 O ATOM 1167 CB ASP A 72 9.470 2.608 12.871 1.00 0.00 C ATOM 1168 CG ASP A 72 10.276 2.695 11.591 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.905 2.020 10.607 1.00 0.00 O ATOM 1170 OD2 ASP A 72 11.280 3.437 11.570 1.00 0.00 O ATOM 0 H ASP A 72 8.325 1.274 11.035 1.00 0.00 H new ATOM 0 HA ASP A 72 7.433 2.456 13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.725 3.449 13.516 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.744 1.700 13.408 1.00 0.00 H new ATOM 1175 N GLY A 73 7.448 4.039 10.716 1.00 0.00 N ATOM 1176 CA GLY A 73 7.049 5.282 10.082 1.00 0.00 C ATOM 1177 C GLY A 73 8.016 5.726 9.001 1.00 0.00 C ATOM 1178 O GLY A 73 8.962 6.467 9.270 1.00 0.00 O ATOM 0 H GLY A 73 7.646 3.272 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.056 5.161 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.973 6.063 10.839 1.00 0.00 H new ATOM 1182 N SER A 74 7.776 5.272 7.776 1.00 0.00 N ATOM 1183 CA SER A 74 8.626 5.626 6.642 1.00 0.00 C ATOM 1184 C SER A 74 8.070 5.037 5.351 1.00 0.00 C ATOM 1185 O SER A 74 7.216 4.155 5.386 1.00 0.00 O ATOM 1186 CB SER A 74 10.055 5.125 6.870 1.00 0.00 C ATOM 1187 OG SER A 74 10.800 6.043 7.650 1.00 0.00 O ATOM 0 H SER A 74 6.998 4.656 7.541 1.00 0.00 H new ATOM 0 HA SER A 74 8.641 6.712 6.553 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.029 4.157 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.548 4.975 5.910 1.00 0.00 H new ATOM 0 HG SER A 74 10.193 6.542 8.236 1.00 0.00 H new ATOM 1193 N HIS A 75 8.555 5.530 4.216 1.00 0.00 N ATOM 1194 CA HIS A 75 8.103 5.047 2.914 1.00 0.00 C ATOM 1195 C HIS A 75 8.976 3.892 2.425 1.00 0.00 C ATOM 1196 O HIS A 75 10.182 4.052 2.242 1.00 0.00 O ATOM 1197 CB HIS A 75 8.125 6.186 1.892 1.00 0.00 C ATOM 1198 CG HIS A 75 7.428 5.856 0.609 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.816 6.338 -0.621 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.343 5.074 0.378 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.974 5.847 -1.541 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.062 5.073 -0.985 1.00 0.00 N ATOM 0 H HIS A 75 9.262 6.264 4.170 1.00 0.00 H new ATOM 0 HA HIS A 75 7.082 4.683 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.658 7.067 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.161 6.448 1.676 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.605 6.959 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.786 4.538 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.034 6.057 -2.599 1.00 0.00 H new ATOM 1210 N ILE A 76 8.358 2.734 2.209 1.00 0.00 N ATOM 1211 CA ILE A 76 9.083 1.560 1.731 1.00 0.00 C ATOM 1212 C ILE A 76 8.907 1.395 0.228 1.00 0.00 C ATOM 1213 O ILE A 76 9.874 1.204 -0.508 1.00 0.00 O ATOM 1214 CB ILE A 76 8.612 0.265 2.422 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.633 0.419 3.942 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.479 -0.911 1.992 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.820 -0.638 4.656 1.00 0.00 C ATOM 0 H ILE A 76 7.360 2.583 2.357 1.00 0.00 H new ATOM 0 HA ILE A 76 10.133 1.725 1.973 1.00 0.00 H new ATOM 0 HB ILE A 76 7.584 0.070 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.664 0.374 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.250 1.404 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.134 -1.818 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.409 -1.039 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.516 -0.719 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.875 -0.474 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.781 -0.578 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.218 -1.625 4.419 1.00 0.00 H new ATOM 1229 N GLY A 77 7.657 1.459 -0.218 1.00 0.00 N ATOM 1230 CA GLY A 77 7.370 1.310 -1.631 1.00 0.00 C ATOM 1231 C GLY A 77 6.193 0.395 -1.897 1.00 0.00 C ATOM 1232 O GLY A 77 5.297 0.260 -1.065 1.00 0.00 O ATOM 0 H GLY A 77 6.840 1.611 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.167 2.291 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.252 0.917 -2.137 1.00 0.00 H new ATOM 1236 N GLY A 78 6.194 -0.226 -3.069 1.00 0.00 N ATOM 1237 CA GLY A 78 5.116 -1.124 -3.439 1.00 0.00 C ATOM 1238 C GLY A 78 5.460 -2.580 -3.188 1.00 0.00 C ATOM 1239 O GLY A 78 6.044 -2.919 -2.157 1.00 0.00 O ATOM 0 H GLY A 78 6.925 -0.124 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.221 -0.863 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.879 -0.987 -4.494 1.00 0.00 H new ATOM 1243 N PHE A 79 5.098 -3.446 -4.132 1.00 0.00 N ATOM 1244 CA PHE A 79 5.374 -4.873 -4.006 1.00 0.00 C ATOM 1245 C PHE A 79 6.868 -5.155 -4.144 1.00 0.00 C ATOM 1246 O PHE A 79 7.535 -5.506 -3.170 1.00 0.00 O ATOM 1247 CB PHE A 79 4.591 -5.664 -5.060 1.00 0.00 C ATOM 1248 CG PHE A 79 4.852 -7.144 -5.021 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.586 -7.880 -3.876 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.369 -7.798 -6.129 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.832 -9.240 -3.837 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.615 -9.159 -6.095 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.348 -9.879 -4.947 1.00 0.00 C ATOM 0 H PHE A 79 4.614 -3.184 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 79 5.054 -5.191 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.525 -5.488 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.846 -5.285 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.182 -7.385 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.582 -7.239 -7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.621 -9.802 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.015 -9.658 -6.965 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.543 -10.941 -4.918 1.00 0.00 H new ATOM 1263 N ASP A 80 7.388 -4.996 -5.357 1.00 0.00 N ATOM 1264 CA ASP A 80 8.804 -5.234 -5.618 1.00 0.00 C ATOM 1265 C ASP A 80 9.677 -4.354 -4.730 1.00 0.00 C ATOM 1266 O ASP A 80 10.611 -4.834 -4.084 1.00 0.00 O ATOM 1267 CB ASP A 80 9.124 -4.966 -7.091 1.00 0.00 C ATOM 1268 CG ASP A 80 10.572 -5.266 -7.432 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.003 -6.420 -7.232 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.274 -4.344 -7.900 1.00 0.00 O ATOM 0 H ASP A 80 6.851 -4.704 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 80 9.019 -6.278 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.472 -5.574 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.907 -3.923 -7.323 1.00 0.00 H new ATOM 1275 N GLN A 81 9.365 -3.060 -4.701 1.00 0.00 N ATOM 1276 CA GLN A 81 10.120 -2.112 -3.888 1.00 0.00 C ATOM 1277 C GLN A 81 10.237 -2.611 -2.454 1.00 0.00 C ATOM 1278 O GLN A 81 11.283 -2.471 -1.821 1.00 0.00 O ATOM 1279 CB GLN A 81 9.456 -0.733 -3.905 1.00 0.00 C ATOM 1280 CG GLN A 81 8.936 -0.318 -5.273 1.00 0.00 C ATOM 1281 CD GLN A 81 9.008 1.181 -5.494 1.00 0.00 C ATOM 1282 OE1 GLN A 81 7.995 1.878 -5.433 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.208 1.685 -5.754 1.00 0.00 N ATOM 0 H GLN A 81 8.597 -2.646 -5.230 1.00 0.00 H new ATOM 0 HA GLN A 81 11.119 -2.025 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.628 -0.730 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.175 0.010 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.514 -0.824 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.903 -0.648 -5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.021 1.071 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.317 2.687 -5.913 1.00 0.00 H new ATOM 1292 N LEU A 82 9.158 -3.200 -1.948 1.00 0.00 N ATOM 1293 CA LEU A 82 9.150 -3.722 -0.592 1.00 0.00 C ATOM 1294 C LEU A 82 9.864 -5.065 -0.510 1.00 0.00 C ATOM 1295 O LEU A 82 10.489 -5.375 0.502 1.00 0.00 O ATOM 1296 CB LEU A 82 7.735 -3.854 -0.056 1.00 0.00 C ATOM 1297 CG LEU A 82 7.687 -4.362 1.377 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.654 -3.614 2.193 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.421 -5.849 1.388 1.00 0.00 C ATOM 0 H LEU A 82 8.283 -3.326 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 82 9.688 -3.005 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.241 -2.884 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.172 -4.534 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 82 8.656 -4.179 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.645 -4.001 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.903 -2.553 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.669 -3.749 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.388 -6.205 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.466 -6.051 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.217 -6.365 0.851 1.00 0.00 H new ATOM 1311 N ARG A 83 9.798 -5.853 -1.580 1.00 0.00 N ATOM 1312 CA ARG A 83 10.479 -7.146 -1.596 1.00 0.00 C ATOM 1313 C ARG A 83 11.937 -6.942 -1.211 1.00 0.00 C ATOM 1314 O ARG A 83 12.557 -7.807 -0.594 1.00 0.00 O ATOM 1315 CB ARG A 83 10.377 -7.795 -2.979 1.00 0.00 C ATOM 1316 CG ARG A 83 10.214 -9.306 -2.929 1.00 0.00 C ATOM 1317 CD ARG A 83 9.899 -9.876 -4.303 1.00 0.00 C ATOM 1318 NE ARG A 83 11.090 -9.969 -5.143 1.00 0.00 N ATOM 1319 CZ ARG A 83 12.085 -10.826 -4.927 1.00 0.00 C ATOM 1320 NH1 ARG A 83 12.037 -11.664 -3.899 1.00 0.00 N ATOM 1321 NH2 ARG A 83 13.133 -10.844 -5.741 1.00 0.00 N ATOM 0 H ARG A 83 9.289 -5.625 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 83 10.002 -7.814 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.530 -7.364 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.272 -7.553 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.128 -9.760 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.415 -9.564 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.456 -10.865 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.157 -9.247 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 83 11.164 -9.340 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.235 -11.653 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.803 -12.319 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.176 -10.201 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.896 -11.501 -5.576 1.00 0.00 H new ATOM 1335 N GLU A 84 12.464 -5.768 -1.554 1.00 0.00 N ATOM 1336 CA GLU A 84 13.834 -5.423 -1.210 1.00 0.00 C ATOM 1337 C GLU A 84 13.929 -5.248 0.298 1.00 0.00 C ATOM 1338 O GLU A 84 14.921 -5.621 0.923 1.00 0.00 O ATOM 1339 CB GLU A 84 14.263 -4.138 -1.922 1.00 0.00 C ATOM 1340 CG GLU A 84 15.719 -4.140 -2.357 1.00 0.00 C ATOM 1341 CD GLU A 84 16.270 -2.741 -2.546 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.268 -1.963 -1.569 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.706 -2.422 -3.673 1.00 0.00 O ATOM 0 H GLU A 84 11.962 -5.044 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 84 14.502 -6.222 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.631 -3.990 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.092 -3.290 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.317 -4.665 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.815 -4.694 -3.291 1.00 0.00 H new ATOM 1350 N TYR A 85 12.860 -4.705 0.876 1.00 0.00 N ATOM 1351 CA TYR A 85 12.776 -4.506 2.312 1.00 0.00 C ATOM 1352 C TYR A 85 12.896 -5.851 3.011 1.00 0.00 C ATOM 1353 O TYR A 85 13.508 -5.971 4.072 1.00 0.00 O ATOM 1354 CB TYR A 85 11.433 -3.859 2.649 1.00 0.00 C ATOM 1355 CG TYR A 85 11.354 -3.268 4.033 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.930 -4.032 5.110 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.687 -1.941 4.257 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.844 -3.488 6.378 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.601 -1.388 5.518 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.179 -2.164 6.577 1.00 0.00 C ATOM 1361 OH TYR A 85 11.090 -1.616 7.835 1.00 0.00 O ATOM 0 H TYR A 85 12.036 -4.394 0.362 1.00 0.00 H new ATOM 0 HA TYR A 85 13.583 -3.855 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.229 -3.074 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.647 -4.606 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.663 -5.067 4.956 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.019 -1.330 3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.516 -4.096 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.863 -0.352 5.675 1.00 0.00 H new ATOM 0 HH TYR A 85 11.363 -0.675 7.802 1.00 0.00 H new ATOM 1371 N PHE A 86 12.307 -6.863 2.381 1.00 0.00 N ATOM 1372 CA PHE A 86 12.320 -8.222 2.897 1.00 0.00 C ATOM 1373 C PHE A 86 13.540 -8.999 2.402 1.00 0.00 C ATOM 1374 O PHE A 86 13.951 -9.983 3.016 1.00 0.00 O ATOM 1375 CB PHE A 86 11.030 -8.934 2.472 1.00 0.00 C ATOM 1376 CG PHE A 86 9.861 -8.614 3.361 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.008 -8.602 4.737 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.625 -8.307 2.822 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.945 -8.287 5.557 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.556 -7.997 3.639 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.718 -7.985 5.009 1.00 0.00 C ATOM 0 H PHE A 86 11.808 -6.761 1.498 1.00 0.00 H new ATOM 0 HA PHE A 86 12.379 -8.179 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.787 -8.653 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.198 -10.011 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.966 -8.842 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.494 -8.310 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.075 -8.277 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.594 -7.764 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.885 -7.739 5.650 1.00 0.00 H new ATOM 1391 N LYS A 87 14.112 -8.553 1.285 1.00 0.00 N ATOM 1392 CA LYS A 87 15.281 -9.208 0.708 1.00 0.00 C ATOM 1393 C LYS A 87 14.960 -10.647 0.316 1.00 0.00 C ATOM 1394 O LYS A 87 15.834 -11.304 -0.288 1.00 0.00 O ATOM 1395 CB LYS A 87 16.452 -9.184 1.694 1.00 0.00 C ATOM 1396 CG LYS A 87 17.378 -7.993 1.507 1.00 0.00 C ATOM 1397 CD LYS A 87 18.504 -7.998 2.529 1.00 0.00 C ATOM 1398 CE LYS A 87 19.704 -8.792 2.036 1.00 0.00 C ATOM 1399 NZ LYS A 87 20.738 -7.914 1.422 1.00 0.00 N ATOM 1400 OXT LYS A 87 13.838 -11.104 0.616 1.00 0.00 O ATOM 0 H LYS A 87 13.784 -7.741 0.763 1.00 0.00 H new ATOM 0 HA LYS A 87 15.564 -8.659 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.060 -9.173 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.028 -10.103 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.798 -8.011 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.807 -7.069 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.808 -6.973 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.144 -8.425 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 87 20.143 -9.341 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.375 -9.531 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.539 -8.494 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.327 -7.409 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 21.071 -7.225 2.126 1.00 0.00 H new