USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 18:sc= 1.51 USER MOD Set 1.2: A 59 TYR OH : rot -148:sc= 0.985 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 SER OG : rot -100:sc= 0.601 USER MOD Set 3.2: A 50 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0) USER MOD Set 4.1: A 9 CYS SG : rot 140:sc= -3.78 USER MOD Set 4.2: A 62 HIS : no HE2:sc= -1.95 K(o=-5.7,f=-8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 19:sc= 0.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -128:sc= 0 (180deg=-0.101) USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= 0.16 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -145:sc= -0.0642 (180deg=-0.342) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.212 (180deg=0.152) USER MOD Single : A 73 MET CE :methyl 174:sc= 0 (180deg=-0.0121) USER MOD Single : A 78 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-2.9!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 39:sc= 0.135 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc=-0.00847 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.658 6.462 7.368 1.00 0.00 N ATOM 2 CA GLY A 1 11.138 7.689 6.794 1.00 0.00 C ATOM 3 C GLY A 1 11.506 8.912 7.610 1.00 0.00 C ATOM 4 O GLY A 1 12.684 9.184 7.838 1.00 0.00 O ATOM 0 H1 GLY A 1 11.379 5.655 6.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.696 6.514 7.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.272 6.336 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.522 7.803 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.053 7.620 6.718 1.00 0.00 H new ATOM 8 N SER A 2 10.494 9.653 8.051 1.00 0.00 N ATOM 9 CA SER A 2 10.717 10.858 8.843 1.00 0.00 C ATOM 10 C SER A 2 10.344 10.625 10.303 1.00 0.00 C ATOM 11 O SER A 2 9.580 9.714 10.623 1.00 0.00 O ATOM 12 CB SER A 2 9.903 12.023 8.277 1.00 0.00 C ATOM 13 OG SER A 2 10.589 12.653 7.209 1.00 0.00 O ATOM 0 H SER A 2 9.512 9.440 7.874 1.00 0.00 H new ATOM 0 HA SER A 2 11.777 11.106 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.936 11.660 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.705 12.749 9.065 1.00 0.00 H new ATOM 0 HG SER A 2 10.047 13.393 6.863 1.00 0.00 H new ATOM 19 N SER A 3 10.891 11.454 11.187 1.00 0.00 N ATOM 20 CA SER A 3 10.620 11.337 12.615 1.00 0.00 C ATOM 21 C SER A 3 9.918 12.587 13.139 1.00 0.00 C ATOM 22 O SER A 3 10.310 13.710 12.825 1.00 0.00 O ATOM 23 CB SER A 3 11.921 11.108 13.385 1.00 0.00 C ATOM 24 OG SER A 3 11.670 10.503 14.642 1.00 0.00 O ATOM 0 H SER A 3 11.525 12.214 10.939 1.00 0.00 H new ATOM 0 HA SER A 3 9.962 10.482 12.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.587 10.474 12.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.433 12.059 13.531 1.00 0.00 H new ATOM 0 HG SER A 3 12.518 10.366 15.114 1.00 0.00 H new ATOM 30 N GLY A 4 8.877 12.382 13.940 1.00 0.00 N ATOM 31 CA GLY A 4 8.137 13.500 14.495 1.00 0.00 C ATOM 32 C GLY A 4 6.720 13.577 13.964 1.00 0.00 C ATOM 33 O GLY A 4 5.763 13.285 14.682 1.00 0.00 O ATOM 0 H GLY A 4 8.533 11.462 14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.111 13.411 15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.659 14.428 14.264 1.00 0.00 H new ATOM 37 N SER A 5 6.583 13.975 12.703 1.00 0.00 N ATOM 38 CA SER A 5 5.271 14.096 12.077 1.00 0.00 C ATOM 39 C SER A 5 4.477 12.802 12.226 1.00 0.00 C ATOM 40 O SER A 5 4.966 11.720 11.902 1.00 0.00 O ATOM 41 CB SER A 5 5.420 14.449 10.596 1.00 0.00 C ATOM 42 OG SER A 5 6.037 13.393 9.880 1.00 0.00 O ATOM 0 H SER A 5 7.364 14.219 12.095 1.00 0.00 H new ATOM 0 HA SER A 5 4.727 14.895 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.440 14.658 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.013 15.358 10.493 1.00 0.00 H new ATOM 0 HG SER A 5 5.961 12.562 10.393 1.00 0.00 H new ATOM 48 N SER A 6 3.248 12.923 12.720 1.00 0.00 N ATOM 49 CA SER A 6 2.386 11.763 12.916 1.00 0.00 C ATOM 50 C SER A 6 1.416 11.603 11.749 1.00 0.00 C ATOM 51 O SER A 6 1.146 12.555 11.017 1.00 0.00 O ATOM 52 CB SER A 6 1.608 11.896 14.226 1.00 0.00 C ATOM 53 OG SER A 6 0.555 12.836 14.101 1.00 0.00 O ATOM 0 H SER A 6 2.828 13.812 12.991 1.00 0.00 H new ATOM 0 HA SER A 6 3.017 10.876 12.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.201 10.926 14.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.283 12.206 15.024 1.00 0.00 H new ATOM 0 HG SER A 6 0.072 12.901 14.951 1.00 0.00 H new ATOM 59 N GLY A 7 0.896 10.391 11.582 1.00 0.00 N ATOM 60 CA GLY A 7 -0.038 10.128 10.503 1.00 0.00 C ATOM 61 C GLY A 7 0.617 9.433 9.326 1.00 0.00 C ATOM 62 O GLY A 7 1.369 10.050 8.572 1.00 0.00 O ATOM 0 H GLY A 7 1.105 9.587 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.855 9.511 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.476 11.068 10.168 1.00 0.00 H new ATOM 66 N ASN A 8 0.333 8.144 9.168 1.00 0.00 N ATOM 67 CA ASN A 8 0.903 7.364 8.075 1.00 0.00 C ATOM 68 C ASN A 8 -0.178 6.952 7.081 1.00 0.00 C ATOM 69 O ASN A 8 -1.349 6.823 7.439 1.00 0.00 O ATOM 70 CB ASN A 8 1.610 6.122 8.622 1.00 0.00 C ATOM 71 CG ASN A 8 0.716 5.301 9.531 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.366 4.870 9.131 1.00 0.00 O ATOM 73 ND2 ASN A 8 1.165 5.081 10.761 1.00 0.00 N ATOM 0 H ASN A 8 -0.288 7.618 9.783 1.00 0.00 H new ATOM 0 HA ASN A 8 1.630 7.988 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.945 5.502 7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.501 6.427 9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.607 4.535 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.068 5.458 11.049 1.00 0.00 H new ATOM 80 N CYS A 9 0.224 6.745 5.831 1.00 0.00 N ATOM 81 CA CYS A 9 -0.710 6.347 4.784 1.00 0.00 C ATOM 82 C CYS A 9 -0.117 5.241 3.918 1.00 0.00 C ATOM 83 O CYS A 9 0.898 5.439 3.250 1.00 0.00 O ATOM 84 CB CYS A 9 -1.078 7.551 3.915 1.00 0.00 C ATOM 85 SG CYS A 9 -1.924 8.876 4.808 1.00 0.00 S ATOM 0 H CYS A 9 1.190 6.846 5.519 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.612 5.964 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.169 7.953 3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.715 7.214 3.097 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.482 10.027 4.397 1.00 0.00 H new ATOM 91 N ARG A 10 -0.755 4.076 3.936 1.00 0.00 N ATOM 92 CA ARG A 10 -0.289 2.937 3.154 1.00 0.00 C ATOM 93 C ARG A 10 -1.466 2.142 2.595 1.00 0.00 C ATOM 94 O ARG A 10 -2.486 1.970 3.264 1.00 0.00 O ATOM 95 CB ARG A 10 0.591 2.028 4.014 1.00 0.00 C ATOM 96 CG ARG A 10 2.062 2.410 3.996 1.00 0.00 C ATOM 97 CD ARG A 10 2.829 1.726 5.117 1.00 0.00 C ATOM 98 NE ARG A 10 2.593 2.363 6.410 1.00 0.00 N ATOM 99 CZ ARG A 10 3.419 2.254 7.444 1.00 0.00 C ATOM 100 NH1 ARG A 10 4.529 1.537 7.338 1.00 0.00 N ATOM 101 NH2 ARG A 10 3.135 2.864 8.588 1.00 0.00 N ATOM 0 H ARG A 10 -1.596 3.896 4.484 1.00 0.00 H new ATOM 0 HA ARG A 10 0.299 3.318 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.230 2.054 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.487 1.000 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.498 2.136 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.159 3.491 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.535 0.678 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.895 1.747 4.892 1.00 0.00 H new ATOM 0 HE ARG A 10 1.748 2.922 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.751 1.067 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.161 1.455 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.282 3.417 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.770 2.780 9.382 1.00 0.00 H new ATOM 115 N LEU A 11 -1.317 1.662 1.366 1.00 0.00 N ATOM 116 CA LEU A 11 -2.368 0.886 0.716 1.00 0.00 C ATOM 117 C LEU A 11 -2.134 -0.610 0.901 1.00 0.00 C ATOM 118 O LEU A 11 -0.996 -1.080 0.863 1.00 0.00 O ATOM 119 CB LEU A 11 -2.430 1.223 -0.775 1.00 0.00 C ATOM 120 CG LEU A 11 -2.954 2.616 -1.127 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.071 2.777 -2.634 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.296 2.866 -0.455 1.00 0.00 C ATOM 0 H LEU A 11 -0.480 1.796 0.799 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.319 1.147 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.429 1.117 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.061 0.484 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.243 3.355 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.445 3.774 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.091 2.642 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.761 2.030 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.654 3.862 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.016 2.121 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.180 2.794 0.626 1.00 0.00 H new ATOM 134 N PHE A 12 -3.217 -1.353 1.099 1.00 0.00 N ATOM 135 CA PHE A 12 -3.130 -2.797 1.288 1.00 0.00 C ATOM 136 C PHE A 12 -3.122 -3.522 -0.054 1.00 0.00 C ATOM 137 O PHE A 12 -4.164 -3.686 -0.689 1.00 0.00 O ATOM 138 CB PHE A 12 -4.300 -3.292 2.141 1.00 0.00 C ATOM 139 CG PHE A 12 -4.400 -4.789 2.211 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.726 -5.497 3.193 1.00 0.00 C ATOM 141 CD2 PHE A 12 -5.168 -5.488 1.293 1.00 0.00 C ATOM 142 CE1 PHE A 12 -3.816 -6.874 3.259 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.262 -6.866 1.355 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.585 -7.560 2.339 1.00 0.00 C ATOM 0 H PHE A 12 -4.166 -0.980 1.133 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.195 -3.015 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.196 -2.895 3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.229 -2.892 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.123 -4.966 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.699 -4.951 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.285 -7.414 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.864 -7.399 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.657 -8.636 2.389 1.00 0.00 H new ATOM 154 N ILE A 13 -1.939 -3.954 -0.479 1.00 0.00 N ATOM 155 CA ILE A 13 -1.795 -4.662 -1.745 1.00 0.00 C ATOM 156 C ILE A 13 -1.694 -6.167 -1.524 1.00 0.00 C ATOM 157 O ILE A 13 -0.661 -6.673 -1.088 1.00 0.00 O ATOM 158 CB ILE A 13 -0.553 -4.183 -2.519 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.430 -2.660 -2.438 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.624 -4.638 -3.969 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.668 -1.929 -2.908 1.00 0.00 C ATOM 0 H ILE A 13 -1.067 -3.826 0.035 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.686 -4.443 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 13 0.333 -4.625 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.219 -2.375 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.421 -2.340 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.261 -4.292 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.668 -5.726 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.516 -4.222 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.510 -0.854 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.869 -2.185 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.519 -2.221 -2.292 1.00 0.00 H new ATOM 173 N GLY A 14 -2.775 -6.879 -1.831 1.00 0.00 N ATOM 174 CA GLY A 14 -2.787 -8.320 -1.661 1.00 0.00 C ATOM 175 C GLY A 14 -2.889 -9.058 -2.981 1.00 0.00 C ATOM 176 O GLY A 14 -3.531 -8.585 -3.917 1.00 0.00 O ATOM 0 H GLY A 14 -3.642 -6.483 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.878 -8.629 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.627 -8.601 -1.025 1.00 0.00 H new ATOM 180 N GLY A 15 -2.251 -10.222 -3.057 1.00 0.00 N ATOM 181 CA GLY A 15 -2.283 -11.008 -4.277 1.00 0.00 C ATOM 182 C GLY A 15 -1.099 -10.726 -5.180 1.00 0.00 C ATOM 183 O GLY A 15 -1.261 -10.539 -6.386 1.00 0.00 O ATOM 0 H GLY A 15 -1.712 -10.635 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.297 -12.068 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.206 -10.797 -4.817 1.00 0.00 H new ATOM 187 N ILE A 16 0.094 -10.693 -4.595 1.00 0.00 N ATOM 188 CA ILE A 16 1.309 -10.430 -5.356 1.00 0.00 C ATOM 189 C ILE A 16 2.260 -11.621 -5.300 1.00 0.00 C ATOM 190 O ILE A 16 2.271 -12.395 -4.342 1.00 0.00 O ATOM 191 CB ILE A 16 2.041 -9.179 -4.835 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.456 -9.375 -3.375 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.156 -7.950 -4.979 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.351 -8.276 -2.849 1.00 0.00 C ATOM 0 H ILE A 16 0.245 -10.845 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 16 1.004 -10.258 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 16 2.941 -9.027 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.561 -9.431 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.972 -10.330 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.687 -7.074 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.905 -7.803 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.241 -8.091 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.605 -8.480 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.263 -8.234 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.831 -7.320 -2.914 1.00 0.00 H new ATOM 206 N PRO A 17 3.080 -11.773 -6.351 1.00 0.00 N ATOM 207 CA PRO A 17 4.053 -12.866 -6.444 1.00 0.00 C ATOM 208 C PRO A 17 5.197 -12.711 -5.448 1.00 0.00 C ATOM 209 O PRO A 17 5.853 -11.670 -5.397 1.00 0.00 O ATOM 210 CB PRO A 17 4.574 -12.756 -7.879 1.00 0.00 C ATOM 211 CG PRO A 17 4.367 -11.327 -8.248 1.00 0.00 C ATOM 212 CD PRO A 17 3.122 -10.889 -7.527 1.00 0.00 C ATOM 0 HA PRO A 17 3.604 -13.832 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.627 -13.032 -7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.030 -13.421 -8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.223 -10.720 -7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.253 -11.215 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.173 -9.839 -7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.235 -11.006 -8.150 1.00 0.00 H new ATOM 220 N LYS A 18 5.433 -13.753 -4.658 1.00 0.00 N ATOM 221 CA LYS A 18 6.500 -13.735 -3.665 1.00 0.00 C ATOM 222 C LYS A 18 7.867 -13.641 -4.335 1.00 0.00 C ATOM 223 O LYS A 18 8.757 -12.941 -3.855 1.00 0.00 O ATOM 224 CB LYS A 18 6.433 -14.989 -2.791 1.00 0.00 C ATOM 225 CG LYS A 18 5.059 -15.245 -2.197 1.00 0.00 C ATOM 226 CD LYS A 18 4.899 -16.692 -1.762 1.00 0.00 C ATOM 227 CE LYS A 18 3.777 -16.848 -0.747 1.00 0.00 C ATOM 228 NZ LYS A 18 3.513 -18.279 -0.429 1.00 0.00 N ATOM 0 H LYS A 18 4.899 -14.621 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 18 6.362 -12.855 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.728 -15.853 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.158 -14.897 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.904 -14.588 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.293 -14.998 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.692 -17.314 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.834 -17.049 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.037 -16.315 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.868 -16.389 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.742 -18.344 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.240 -18.783 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.372 -18.711 -0.034 1.00 0.00 H new ATOM 242 N MET A 19 8.024 -14.351 -5.448 1.00 0.00 N ATOM 243 CA MET A 19 9.282 -14.345 -6.185 1.00 0.00 C ATOM 244 C MET A 19 9.866 -12.937 -6.254 1.00 0.00 C ATOM 245 O MET A 19 11.082 -12.754 -6.199 1.00 0.00 O ATOM 246 CB MET A 19 9.073 -14.892 -7.598 1.00 0.00 C ATOM 247 CG MET A 19 7.839 -14.335 -8.289 1.00 0.00 C ATOM 248 SD MET A 19 7.485 -15.160 -9.853 1.00 0.00 S ATOM 249 CE MET A 19 6.777 -16.699 -9.271 1.00 0.00 C ATOM 0 H MET A 19 7.297 -14.937 -5.858 1.00 0.00 H new ATOM 0 HA MET A 19 9.987 -14.986 -5.655 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.952 -14.663 -8.201 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.994 -15.978 -7.550 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.979 -14.437 -7.626 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.978 -13.269 -8.469 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.292 -17.537 -9.741 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.889 -16.765 -8.189 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.718 -16.733 -9.529 1.00 0.00 H new ATOM 259 N LYS A 20 8.991 -11.944 -6.377 1.00 0.00 N ATOM 260 CA LYS A 20 9.418 -10.552 -6.453 1.00 0.00 C ATOM 261 C LYS A 20 9.818 -10.030 -5.076 1.00 0.00 C ATOM 262 O LYS A 20 9.647 -10.715 -4.067 1.00 0.00 O ATOM 263 CB LYS A 20 8.299 -9.685 -7.033 1.00 0.00 C ATOM 264 CG LYS A 20 7.599 -10.313 -8.226 1.00 0.00 C ATOM 265 CD LYS A 20 8.565 -10.565 -9.371 1.00 0.00 C ATOM 266 CE LYS A 20 7.906 -11.351 -10.494 1.00 0.00 C ATOM 267 NZ LYS A 20 8.888 -12.194 -11.231 1.00 0.00 N ATOM 0 H LYS A 20 7.981 -12.078 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 20 10.287 -10.500 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.563 -9.487 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.714 -8.722 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.138 -11.253 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.796 -9.658 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.929 -9.613 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.432 -11.113 -9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.121 -11.985 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.427 -10.661 -11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.765 -12.056 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.854 -11.920 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.732 -13.195 -10.995 1.00 0.00 H new ATOM 281 N LYS A 21 10.351 -8.813 -5.042 1.00 0.00 N ATOM 282 CA LYS A 21 10.773 -8.197 -3.790 1.00 0.00 C ATOM 283 C LYS A 21 10.287 -6.754 -3.703 1.00 0.00 C ATOM 284 O LYS A 21 9.867 -6.169 -4.701 1.00 0.00 O ATOM 285 CB LYS A 21 12.297 -8.242 -3.664 1.00 0.00 C ATOM 286 CG LYS A 21 12.826 -9.564 -3.136 1.00 0.00 C ATOM 287 CD LYS A 21 14.214 -9.865 -3.675 1.00 0.00 C ATOM 288 CE LYS A 21 14.187 -10.120 -5.174 1.00 0.00 C ATOM 289 NZ LYS A 21 15.440 -10.770 -5.649 1.00 0.00 N ATOM 0 H LYS A 21 10.501 -8.234 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 21 10.330 -8.761 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.740 -8.048 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.622 -7.440 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.856 -9.536 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.144 -10.367 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.878 -9.028 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.623 -10.737 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.334 -10.753 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.045 -9.176 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.382 -10.927 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.252 -10.155 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.562 -11.683 -5.166 1.00 0.00 H new ATOM 303 N ARG A 22 10.349 -6.185 -2.503 1.00 0.00 N ATOM 304 CA ARG A 22 9.916 -4.810 -2.287 1.00 0.00 C ATOM 305 C ARG A 22 10.504 -3.881 -3.345 1.00 0.00 C ATOM 306 O ARG A 22 9.879 -2.896 -3.735 1.00 0.00 O ATOM 307 CB ARG A 22 10.328 -4.337 -0.892 1.00 0.00 C ATOM 308 CG ARG A 22 11.833 -4.306 -0.679 1.00 0.00 C ATOM 309 CD ARG A 22 12.328 -5.581 -0.015 1.00 0.00 C ATOM 310 NE ARG A 22 13.718 -5.469 0.417 1.00 0.00 N ATOM 311 CZ ARG A 22 14.756 -5.649 -0.392 1.00 0.00 C ATOM 312 NH1 ARG A 22 14.561 -5.948 -1.669 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.992 -5.530 0.076 1.00 0.00 N ATOM 0 H ARG A 22 10.695 -6.655 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 22 8.829 -4.781 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.925 -3.339 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.878 -4.993 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.335 -4.175 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.097 -3.447 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.699 -5.810 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.231 -6.414 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 22 13.902 -5.240 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.612 -6.040 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.360 -6.086 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.146 -5.300 1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.788 -5.668 -0.546 1.00 0.00 H new ATOM 327 N GLU A 23 11.709 -4.204 -3.805 1.00 0.00 N ATOM 328 CA GLU A 23 12.381 -3.398 -4.816 1.00 0.00 C ATOM 329 C GLU A 23 11.669 -3.509 -6.162 1.00 0.00 C ATOM 330 O GLU A 23 11.647 -2.559 -6.943 1.00 0.00 O ATOM 331 CB GLU A 23 13.840 -3.834 -4.962 1.00 0.00 C ATOM 332 CG GLU A 23 14.005 -5.310 -5.283 1.00 0.00 C ATOM 333 CD GLU A 23 15.457 -5.710 -5.459 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.256 -4.859 -5.903 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.793 -6.873 -5.155 1.00 0.00 O ATOM 0 H GLU A 23 12.239 -5.018 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 23 12.351 -2.358 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.309 -3.245 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.372 -3.610 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.563 -5.904 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.455 -5.543 -6.194 1.00 0.00 H new ATOM 342 N GLU A 24 11.088 -4.676 -6.423 1.00 0.00 N ATOM 343 CA GLU A 24 10.377 -4.911 -7.674 1.00 0.00 C ATOM 344 C GLU A 24 8.943 -4.396 -7.590 1.00 0.00 C ATOM 345 O GLU A 24 8.403 -3.869 -8.563 1.00 0.00 O ATOM 346 CB GLU A 24 10.375 -6.403 -8.013 1.00 0.00 C ATOM 347 CG GLU A 24 11.750 -6.951 -8.357 1.00 0.00 C ATOM 348 CD GLU A 24 11.682 -8.234 -9.162 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.393 -9.293 -8.565 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.918 -8.180 -10.387 1.00 0.00 O ATOM 0 H GLU A 24 11.096 -5.472 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 24 10.895 -4.367 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.973 -6.959 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.704 -6.575 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.305 -6.201 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.305 -7.133 -7.437 1.00 0.00 H new ATOM 357 N ILE A 25 8.332 -4.552 -6.420 1.00 0.00 N ATOM 358 CA ILE A 25 6.962 -4.103 -6.208 1.00 0.00 C ATOM 359 C ILE A 25 6.859 -2.585 -6.315 1.00 0.00 C ATOM 360 O ILE A 25 6.070 -2.059 -7.102 1.00 0.00 O ATOM 361 CB ILE A 25 6.430 -4.547 -4.833 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.471 -6.072 -4.714 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.015 -4.031 -4.621 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.632 -6.563 -3.292 1.00 0.00 C ATOM 0 H ILE A 25 8.765 -4.986 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 25 6.355 -4.562 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 25 7.070 -4.124 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.553 -6.486 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.295 -6.453 -5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.653 -4.353 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.014 -2.942 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.363 -4.428 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.653 -7.653 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.564 -6.179 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.795 -6.212 -2.689 1.00 0.00 H new ATOM 376 N LEU A 26 7.661 -1.886 -5.520 1.00 0.00 N ATOM 377 CA LEU A 26 7.661 -0.427 -5.526 1.00 0.00 C ATOM 378 C LEU A 26 7.561 0.112 -6.949 1.00 0.00 C ATOM 379 O LEU A 26 6.679 0.911 -7.259 1.00 0.00 O ATOM 380 CB LEU A 26 8.929 0.105 -4.855 1.00 0.00 C ATOM 381 CG LEU A 26 9.258 1.576 -5.112 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.596 2.461 -4.068 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.765 1.792 -5.120 1.00 0.00 C ATOM 0 H LEU A 26 8.319 -2.305 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 26 6.790 -0.086 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.836 -0.043 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.773 -0.499 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 26 8.867 1.850 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.841 3.504 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.515 2.328 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.956 2.186 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.981 2.844 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.180 1.500 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.215 1.186 -5.906 1.00 0.00 H new ATOM 395 N GLU A 27 8.471 -0.333 -7.810 1.00 0.00 N ATOM 396 CA GLU A 27 8.484 0.105 -9.201 1.00 0.00 C ATOM 397 C GLU A 27 7.121 -0.115 -9.853 1.00 0.00 C ATOM 398 O GLU A 27 6.439 0.840 -10.225 1.00 0.00 O ATOM 399 CB GLU A 27 9.563 -0.645 -9.985 1.00 0.00 C ATOM 400 CG GLU A 27 10.110 0.136 -11.168 1.00 0.00 C ATOM 401 CD GLU A 27 10.585 -0.764 -12.292 1.00 0.00 C ATOM 402 OE1 GLU A 27 10.023 -1.868 -12.447 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.520 -0.363 -13.017 1.00 0.00 O ATOM 0 H GLU A 27 9.208 -0.996 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 27 8.708 1.172 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.384 -0.891 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.151 -1.588 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.337 0.805 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.938 0.762 -10.834 1.00 0.00 H new ATOM 410 N GLU A 28 6.733 -1.379 -9.987 1.00 0.00 N ATOM 411 CA GLU A 28 5.453 -1.724 -10.595 1.00 0.00 C ATOM 412 C GLU A 28 4.333 -0.850 -10.038 1.00 0.00 C ATOM 413 O GLU A 28 3.281 -0.699 -10.660 1.00 0.00 O ATOM 414 CB GLU A 28 5.130 -3.200 -10.355 1.00 0.00 C ATOM 415 CG GLU A 28 5.716 -4.129 -11.405 1.00 0.00 C ATOM 416 CD GLU A 28 5.166 -3.862 -12.793 1.00 0.00 C ATOM 417 OE1 GLU A 28 3.929 -3.898 -12.959 1.00 0.00 O ATOM 418 OE2 GLU A 28 5.974 -3.615 -13.713 1.00 0.00 O ATOM 0 H GLU A 28 7.286 -2.181 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 28 5.530 -1.546 -11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.506 -3.491 -9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.048 -3.328 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.800 -4.016 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.507 -5.162 -11.128 1.00 0.00 H new ATOM 425 N ILE A 29 4.567 -0.277 -8.862 1.00 0.00 N ATOM 426 CA ILE A 29 3.579 0.582 -8.221 1.00 0.00 C ATOM 427 C ILE A 29 3.769 2.038 -8.629 1.00 0.00 C ATOM 428 O ILE A 29 2.801 2.753 -8.887 1.00 0.00 O ATOM 429 CB ILE A 29 3.654 0.477 -6.686 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.203 -0.911 -6.225 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.801 1.559 -6.039 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.947 -1.397 -6.913 1.00 0.00 C ATOM 0 H ILE A 29 5.432 -0.392 -8.334 1.00 0.00 H new ATOM 0 HA ILE A 29 2.599 0.239 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 29 4.689 0.623 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.007 -1.624 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.033 -0.890 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.864 1.472 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.163 2.540 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.764 1.441 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.686 -2.386 -6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.130 -0.705 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.119 -1.451 -7.988 1.00 0.00 H new ATOM 444 N ALA A 30 5.024 2.472 -8.689 1.00 0.00 N ATOM 445 CA ALA A 30 5.342 3.842 -9.070 1.00 0.00 C ATOM 446 C ALA A 30 4.733 4.190 -10.424 1.00 0.00 C ATOM 447 O ALA A 30 4.678 5.358 -10.811 1.00 0.00 O ATOM 448 CB ALA A 30 6.849 4.046 -9.100 1.00 0.00 C ATOM 0 H ALA A 30 5.837 1.894 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 30 4.911 4.509 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.071 5.074 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.263 3.847 -8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.294 3.363 -9.824 1.00 0.00 H new ATOM 454 N LYS A 31 4.275 3.170 -11.142 1.00 0.00 N ATOM 455 CA LYS A 31 3.669 3.367 -12.453 1.00 0.00 C ATOM 456 C LYS A 31 2.150 3.244 -12.375 1.00 0.00 C ATOM 457 O LYS A 31 1.421 4.110 -12.858 1.00 0.00 O ATOM 458 CB LYS A 31 4.223 2.350 -13.452 1.00 0.00 C ATOM 459 CG LYS A 31 4.515 0.991 -12.839 1.00 0.00 C ATOM 460 CD LYS A 31 5.081 0.025 -13.866 1.00 0.00 C ATOM 461 CE LYS A 31 6.596 0.130 -13.955 1.00 0.00 C ATOM 462 NZ LYS A 31 7.101 -0.267 -15.298 1.00 0.00 N ATOM 0 H LYS A 31 4.312 2.197 -10.837 1.00 0.00 H new ATOM 0 HA LYS A 31 3.917 4.373 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.508 2.226 -14.266 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.139 2.746 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.223 1.106 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.600 0.578 -12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.801 -0.995 -13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.643 0.232 -14.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.902 1.154 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.049 -0.505 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.137 -0.182 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.831 -1.252 -15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.688 0.355 -16.022 1.00 0.00 H new ATOM 476 N VAL A 32 1.680 2.162 -11.761 1.00 0.00 N ATOM 477 CA VAL A 32 0.249 1.927 -11.617 1.00 0.00 C ATOM 478 C VAL A 32 -0.400 2.999 -10.749 1.00 0.00 C ATOM 479 O VAL A 32 -1.568 3.344 -10.936 1.00 0.00 O ATOM 480 CB VAL A 32 -0.034 0.544 -11.001 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.741 -0.538 -11.738 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.311 0.541 -9.519 1.00 0.00 C ATOM 0 H VAL A 32 2.270 1.435 -11.356 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.180 1.965 -12.618 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.098 0.330 -11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.528 -1.508 -11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.442 -0.550 -12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.809 -0.332 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.105 -0.444 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.368 0.776 -9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.292 1.288 -9.004 1.00 0.00 H new ATOM 492 N THR A 33 0.365 3.526 -9.798 1.00 0.00 N ATOM 493 CA THR A 33 -0.135 4.559 -8.900 1.00 0.00 C ATOM 494 C THR A 33 0.905 5.654 -8.689 1.00 0.00 C ATOM 495 O THR A 33 1.987 5.401 -8.161 1.00 0.00 O ATOM 496 CB THR A 33 -0.530 3.972 -7.532 1.00 0.00 C ATOM 497 OG1 THR A 33 0.638 3.523 -6.836 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.502 2.814 -7.700 1.00 0.00 C ATOM 0 H THR A 33 1.334 3.254 -9.630 1.00 0.00 H new ATOM 0 HA THR A 33 -1.019 4.987 -9.372 1.00 0.00 H new ATOM 0 HB THR A 33 -1.019 4.755 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.434 3.930 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.766 2.416 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.402 3.165 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.035 2.030 -8.296 1.00 0.00 H new ATOM 506 N GLU A 34 0.568 6.871 -9.104 1.00 0.00 N ATOM 507 CA GLU A 34 1.475 8.005 -8.959 1.00 0.00 C ATOM 508 C GLU A 34 1.270 8.697 -7.615 1.00 0.00 C ATOM 509 O GLU A 34 0.185 9.196 -7.320 1.00 0.00 O ATOM 510 CB GLU A 34 1.262 9.004 -10.098 1.00 0.00 C ATOM 511 CG GLU A 34 1.993 8.634 -11.378 1.00 0.00 C ATOM 512 CD GLU A 34 2.043 9.777 -12.372 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.510 10.872 -11.995 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.617 9.576 -13.529 1.00 0.00 O ATOM 0 H GLU A 34 -0.325 7.097 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 34 2.497 7.629 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.195 9.080 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.594 9.990 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.009 8.324 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.500 7.778 -11.839 1.00 0.00 H new ATOM 521 N GLY A 35 2.322 8.722 -6.803 1.00 0.00 N ATOM 522 CA GLY A 35 2.238 9.355 -5.499 1.00 0.00 C ATOM 523 C GLY A 35 2.749 8.461 -4.387 1.00 0.00 C ATOM 524 O GLY A 35 2.482 8.706 -3.210 1.00 0.00 O ATOM 0 H GLY A 35 3.231 8.315 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.813 10.281 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.202 9.626 -5.296 1.00 0.00 H new ATOM 528 N VAL A 36 3.486 7.418 -4.759 1.00 0.00 N ATOM 529 CA VAL A 36 4.035 6.484 -3.784 1.00 0.00 C ATOM 530 C VAL A 36 5.363 6.987 -3.228 1.00 0.00 C ATOM 531 O VAL A 36 6.042 7.801 -3.854 1.00 0.00 O ATOM 532 CB VAL A 36 4.245 5.088 -4.400 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.060 4.706 -5.274 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.540 5.048 -5.198 1.00 0.00 C ATOM 0 H VAL A 36 3.716 7.199 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 36 3.310 6.410 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 36 4.319 4.361 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.226 3.717 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.152 4.693 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.951 5.434 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.673 4.055 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.497 5.786 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.379 5.275 -4.541 1.00 0.00 H new ATOM 544 N LEU A 37 5.727 6.497 -2.048 1.00 0.00 N ATOM 545 CA LEU A 37 6.975 6.896 -1.406 1.00 0.00 C ATOM 546 C LEU A 37 7.928 5.712 -1.286 1.00 0.00 C ATOM 547 O LEU A 37 9.104 5.810 -1.639 1.00 0.00 O ATOM 548 CB LEU A 37 6.694 7.482 -0.021 1.00 0.00 C ATOM 549 CG LEU A 37 7.678 8.545 0.470 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.690 9.737 -0.475 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.325 8.986 1.883 1.00 0.00 C ATOM 0 H LEU A 37 5.176 5.823 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 37 7.447 7.657 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.694 7.917 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.682 6.666 0.701 1.00 0.00 H new ATOM 0 HG LEU A 37 8.677 8.109 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.396 10.483 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.991 9.409 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.692 10.174 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.035 9.742 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.318 9.404 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.368 8.128 2.553 1.00 0.00 H new ATOM 563 N ASP A 38 7.414 4.593 -0.787 1.00 0.00 N ATOM 564 CA ASP A 38 8.219 3.388 -0.623 1.00 0.00 C ATOM 565 C ASP A 38 7.331 2.167 -0.404 1.00 0.00 C ATOM 566 O ASP A 38 6.160 2.294 -0.047 1.00 0.00 O ATOM 567 CB ASP A 38 9.184 3.550 0.553 1.00 0.00 C ATOM 568 CG ASP A 38 10.248 2.470 0.581 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.064 2.416 -0.364 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.266 1.680 1.547 1.00 0.00 O ATOM 0 H ASP A 38 6.443 4.495 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 38 8.794 3.237 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.663 4.527 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.622 3.527 1.487 1.00 0.00 H new ATOM 575 N VAL A 39 7.896 0.984 -0.622 1.00 0.00 N ATOM 576 CA VAL A 39 7.156 -0.260 -0.449 1.00 0.00 C ATOM 577 C VAL A 39 7.828 -1.160 0.582 1.00 0.00 C ATOM 578 O VAL A 39 9.052 -1.299 0.596 1.00 0.00 O ATOM 579 CB VAL A 39 7.029 -1.027 -1.778 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.641 -2.476 -1.524 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.018 -0.348 -2.690 1.00 0.00 C ATOM 0 H VAL A 39 8.864 0.861 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 39 6.160 0.010 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 39 7.998 -1.018 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.556 -3.002 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.405 -2.955 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.684 -2.511 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.941 -0.903 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.044 -0.325 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.343 0.671 -2.899 1.00 0.00 H new ATOM 591 N ILE A 40 7.021 -1.770 1.443 1.00 0.00 N ATOM 592 CA ILE A 40 7.537 -2.658 2.477 1.00 0.00 C ATOM 593 C ILE A 40 6.952 -4.060 2.340 1.00 0.00 C ATOM 594 O ILE A 40 5.769 -4.224 2.044 1.00 0.00 O ATOM 595 CB ILE A 40 7.229 -2.121 3.887 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.744 -0.688 4.035 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.846 -3.024 4.945 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.755 0.360 3.576 1.00 0.00 C ATOM 0 H ILE A 40 6.006 -1.665 1.445 1.00 0.00 H new ATOM 0 HA ILE A 40 8.618 -2.703 2.343 1.00 0.00 H new ATOM 0 HB ILE A 40 6.148 -2.115 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.994 -0.507 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.666 -0.581 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.619 -2.631 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.435 -4.029 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.927 -3.060 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.187 1.352 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.523 0.205 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.841 0.280 4.164 1.00 0.00 H new ATOM 610 N VAL A 41 7.790 -5.069 2.558 1.00 0.00 N ATOM 611 CA VAL A 41 7.356 -6.457 2.462 1.00 0.00 C ATOM 612 C VAL A 41 7.605 -7.203 3.768 1.00 0.00 C ATOM 613 O VAL A 41 8.522 -6.870 4.520 1.00 0.00 O ATOM 614 CB VAL A 41 8.078 -7.193 1.318 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.584 -7.161 1.529 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.578 -8.626 1.207 1.00 0.00 C ATOM 0 H VAL A 41 8.773 -4.951 2.802 1.00 0.00 H new ATOM 0 HA VAL A 41 6.286 -6.440 2.255 1.00 0.00 H new ATOM 0 HB VAL A 41 7.855 -6.681 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.077 -7.686 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.926 -6.126 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.830 -7.648 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.099 -9.131 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.770 -9.152 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.507 -8.623 1.005 1.00 0.00 H new ATOM 626 N TYR A 42 6.783 -8.212 4.033 1.00 0.00 N ATOM 627 CA TYR A 42 6.912 -9.004 5.250 1.00 0.00 C ATOM 628 C TYR A 42 7.615 -10.329 4.966 1.00 0.00 C ATOM 629 O TYR A 42 7.602 -10.822 3.838 1.00 0.00 O ATOM 630 CB TYR A 42 5.535 -9.266 5.862 1.00 0.00 C ATOM 631 CG TYR A 42 5.087 -8.189 6.825 1.00 0.00 C ATOM 632 CD1 TYR A 42 5.173 -6.845 6.484 1.00 0.00 C ATOM 633 CD2 TYR A 42 4.575 -8.517 8.075 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.765 -5.859 7.361 1.00 0.00 C ATOM 635 CE2 TYR A 42 4.163 -7.537 8.957 1.00 0.00 C ATOM 636 CZ TYR A 42 4.260 -6.209 8.596 1.00 0.00 C ATOM 637 OH TYR A 42 3.852 -5.230 9.471 1.00 0.00 O ATOM 0 H TYR A 42 6.020 -8.501 3.421 1.00 0.00 H new ATOM 0 HA TYR A 42 7.516 -8.437 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.801 -9.354 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.554 -10.223 6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.565 -6.567 5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.498 -9.555 8.361 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.841 -4.819 7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.767 -7.809 9.924 1.00 0.00 H new ATOM 0 HH TYR A 42 3.521 -5.645 10.295 1.00 0.00 H new ATOM 647 N ALA A 43 8.226 -10.900 5.998 1.00 0.00 N ATOM 648 CA ALA A 43 8.932 -12.168 5.862 1.00 0.00 C ATOM 649 C ALA A 43 9.393 -12.688 7.219 1.00 0.00 C ATOM 650 O ALA A 43 9.710 -11.909 8.118 1.00 0.00 O ATOM 651 CB ALA A 43 10.119 -12.014 4.923 1.00 0.00 C ATOM 0 H ALA A 43 8.246 -10.505 6.938 1.00 0.00 H new ATOM 0 HA ALA A 43 8.240 -12.896 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.637 -12.969 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.768 -11.696 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.805 -11.267 5.323 1.00 0.00 H new ATOM 657 N SER A 44 9.428 -14.010 7.361 1.00 0.00 N ATOM 658 CA SER A 44 9.846 -14.634 8.611 1.00 0.00 C ATOM 659 C SER A 44 11.327 -14.996 8.568 1.00 0.00 C ATOM 660 O SER A 44 12.056 -14.794 9.538 1.00 0.00 O ATOM 661 CB SER A 44 9.010 -15.886 8.885 1.00 0.00 C ATOM 662 OG SER A 44 9.231 -16.873 7.893 1.00 0.00 O ATOM 0 H SER A 44 9.172 -14.669 6.626 1.00 0.00 H new ATOM 0 HA SER A 44 9.688 -13.918 9.417 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.263 -16.289 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.953 -15.623 8.911 1.00 0.00 H new ATOM 0 HG SER A 44 8.497 -16.854 7.243 1.00 0.00 H new ATOM 668 N ALA A 45 11.765 -15.534 7.434 1.00 0.00 N ATOM 669 CA ALA A 45 13.159 -15.924 7.262 1.00 0.00 C ATOM 670 C ALA A 45 13.908 -14.916 6.397 1.00 0.00 C ATOM 671 O ALA A 45 14.854 -14.274 6.853 1.00 0.00 O ATOM 672 CB ALA A 45 13.247 -17.315 6.651 1.00 0.00 C ATOM 0 H ALA A 45 11.174 -15.710 6.621 1.00 0.00 H new ATOM 0 HA ALA A 45 13.630 -15.941 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.294 -17.593 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.756 -18.033 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.755 -17.317 5.678 1.00 0.00 H new ATOM 678 N ALA A 46 13.480 -14.783 5.146 1.00 0.00 N ATOM 679 CA ALA A 46 14.110 -13.852 4.218 1.00 0.00 C ATOM 680 C ALA A 46 13.179 -13.522 3.056 1.00 0.00 C ATOM 681 O ALA A 46 12.976 -14.340 2.159 1.00 0.00 O ATOM 682 CB ALA A 46 15.420 -14.427 3.701 1.00 0.00 C ATOM 0 H ALA A 46 12.700 -15.308 4.752 1.00 0.00 H new ATOM 0 HA ALA A 46 14.320 -12.927 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.879 -13.721 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.095 -14.606 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.226 -15.367 3.185 1.00 0.00 H new ATOM 688 N ASP A 47 12.616 -12.319 3.078 1.00 0.00 N ATOM 689 CA ASP A 47 11.707 -11.880 2.026 1.00 0.00 C ATOM 690 C ASP A 47 12.196 -12.343 0.657 1.00 0.00 C ATOM 691 O ASP A 47 11.407 -12.505 -0.274 1.00 0.00 O ATOM 692 CB ASP A 47 11.568 -10.357 2.044 1.00 0.00 C ATOM 693 CG ASP A 47 12.840 -9.656 1.608 1.00 0.00 C ATOM 694 OD1 ASP A 47 13.800 -9.616 2.407 1.00 0.00 O ATOM 695 OD2 ASP A 47 12.876 -9.147 0.469 1.00 0.00 O ATOM 0 H ASP A 47 12.773 -11.630 3.813 1.00 0.00 H new ATOM 0 HA ASP A 47 10.731 -12.328 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.750 -10.062 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.303 -10.031 3.050 1.00 0.00 H new ATOM 700 N LYS A 48 13.503 -12.554 0.542 1.00 0.00 N ATOM 701 CA LYS A 48 14.099 -12.999 -0.712 1.00 0.00 C ATOM 702 C LYS A 48 13.279 -14.123 -1.336 1.00 0.00 C ATOM 703 O LYS A 48 12.590 -13.921 -2.335 1.00 0.00 O ATOM 704 CB LYS A 48 15.536 -13.470 -0.478 1.00 0.00 C ATOM 705 CG LYS A 48 16.293 -13.772 -1.760 1.00 0.00 C ATOM 706 CD LYS A 48 17.531 -14.611 -1.492 1.00 0.00 C ATOM 707 CE LYS A 48 17.982 -15.354 -2.740 1.00 0.00 C ATOM 708 NZ LYS A 48 19.133 -16.257 -2.463 1.00 0.00 N ATOM 0 H LYS A 48 14.170 -12.424 1.303 1.00 0.00 H new ATOM 0 HA LYS A 48 14.108 -12.155 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.074 -12.704 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.519 -14.365 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.639 -14.299 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.583 -12.838 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.338 -13.969 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.322 -15.327 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.150 -15.937 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.262 -14.635 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.410 -16.745 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.935 -15.698 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.858 -16.960 -1.747 1.00 0.00 H new ATOM 722 N MET A 49 13.358 -15.308 -0.739 1.00 0.00 N ATOM 723 CA MET A 49 12.621 -16.464 -1.236 1.00 0.00 C ATOM 724 C MET A 49 11.409 -16.755 -0.356 1.00 0.00 C ATOM 725 O MET A 49 10.609 -17.641 -0.656 1.00 0.00 O ATOM 726 CB MET A 49 13.532 -17.692 -1.291 1.00 0.00 C ATOM 727 CG MET A 49 14.089 -18.097 0.064 1.00 0.00 C ATOM 728 SD MET A 49 15.658 -17.291 0.438 1.00 0.00 S ATOM 729 CE MET A 49 16.819 -18.557 -0.069 1.00 0.00 C ATOM 0 H MET A 49 13.925 -15.493 0.089 1.00 0.00 H new ATOM 0 HA MET A 49 12.271 -16.235 -2.243 1.00 0.00 H new ATOM 0 HB2 MET A 49 12.974 -18.529 -1.710 1.00 0.00 H new ATOM 0 HB3 MET A 49 14.361 -17.489 -1.969 1.00 0.00 H new ATOM 0 HG2 MET A 49 13.364 -17.850 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.225 -19.178 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 49 17.837 -18.206 0.101 1.00 0.00 H new ATOM 0 HE2 MET A 49 16.646 -19.463 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.682 -18.773 -1.129 1.00 0.00 H new ATOM 739 N LYS A 50 11.279 -16.003 0.732 1.00 0.00 N ATOM 740 CA LYS A 50 10.165 -16.179 1.656 1.00 0.00 C ATOM 741 C LYS A 50 9.222 -14.981 1.606 1.00 0.00 C ATOM 742 O LYS A 50 8.444 -14.752 2.531 1.00 0.00 O ATOM 743 CB LYS A 50 10.684 -16.373 3.083 1.00 0.00 C ATOM 744 CG LYS A 50 10.951 -17.825 3.440 1.00 0.00 C ATOM 745 CD LYS A 50 10.775 -18.074 4.929 1.00 0.00 C ATOM 746 CE LYS A 50 9.336 -18.431 5.268 1.00 0.00 C ATOM 747 NZ LYS A 50 9.229 -19.104 6.592 1.00 0.00 N ATOM 0 H LYS A 50 11.932 -15.265 0.995 1.00 0.00 H new ATOM 0 HA LYS A 50 9.612 -17.068 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.604 -15.802 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.957 -15.963 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.273 -18.469 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.965 -18.093 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.435 -18.882 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.071 -17.185 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.728 -17.526 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.932 -19.084 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.258 -19.452 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.892 -19.904 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.462 -18.426 7.346 1.00 0.00 H new ATOM 761 N ASN A 51 9.297 -14.220 0.518 1.00 0.00 N ATOM 762 CA ASN A 51 8.450 -13.046 0.347 1.00 0.00 C ATOM 763 C ASN A 51 6.992 -13.377 0.655 1.00 0.00 C ATOM 764 O ASN A 51 6.496 -14.441 0.285 1.00 0.00 O ATOM 765 CB ASN A 51 8.571 -12.506 -1.079 1.00 0.00 C ATOM 766 CG ASN A 51 8.358 -11.007 -1.151 1.00 0.00 C ATOM 767 OD1 ASN A 51 7.225 -10.533 -1.243 1.00 0.00 O ATOM 768 ND2 ASN A 51 9.449 -10.251 -1.108 1.00 0.00 N ATOM 0 H ASN A 51 9.936 -14.396 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 51 8.787 -12.282 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.557 -12.749 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.841 -13.005 -1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.368 -9.235 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.368 -10.686 -1.031 1.00 0.00 H new ATOM 775 N ARG A 52 6.313 -12.458 1.334 1.00 0.00 N ATOM 776 CA ARG A 52 4.913 -12.653 1.692 1.00 0.00 C ATOM 777 C ARG A 52 4.004 -12.389 0.495 1.00 0.00 C ATOM 778 O ARG A 52 4.406 -11.746 -0.473 1.00 0.00 O ATOM 779 CB ARG A 52 4.528 -11.732 2.851 1.00 0.00 C ATOM 780 CG ARG A 52 4.753 -12.351 4.221 1.00 0.00 C ATOM 781 CD ARG A 52 3.681 -13.378 4.551 1.00 0.00 C ATOM 782 NE ARG A 52 2.343 -12.794 4.544 1.00 0.00 N ATOM 783 CZ ARG A 52 1.228 -13.512 4.468 1.00 0.00 C ATOM 784 NH1 ARG A 52 1.291 -14.834 4.393 1.00 0.00 N ATOM 785 NH2 ARG A 52 0.047 -12.908 4.467 1.00 0.00 N ATOM 0 H ARG A 52 6.709 -11.572 1.647 1.00 0.00 H new ATOM 0 HA ARG A 52 4.784 -13.690 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.105 -10.810 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.477 -11.459 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.734 -12.825 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.754 -11.568 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.725 -14.193 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.883 -13.810 5.531 1.00 0.00 H new ATOM 0 HE ARG A 52 2.260 -11.779 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.197 -15.302 4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.433 -15.383 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.006 -11.891 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.808 -13.461 4.409 1.00 0.00 H new ATOM 799 N GLY A 53 2.775 -12.892 0.570 1.00 0.00 N ATOM 800 CA GLY A 53 1.829 -12.700 -0.514 1.00 0.00 C ATOM 801 C GLY A 53 1.139 -11.352 -0.450 1.00 0.00 C ATOM 802 O GLY A 53 -0.022 -11.221 -0.836 1.00 0.00 O ATOM 0 H GLY A 53 2.418 -13.428 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.350 -12.793 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.079 -13.490 -0.482 1.00 0.00 H new ATOM 806 N PHE A 54 1.856 -10.345 0.041 1.00 0.00 N ATOM 807 CA PHE A 54 1.305 -9.000 0.157 1.00 0.00 C ATOM 808 C PHE A 54 2.419 -7.960 0.220 1.00 0.00 C ATOM 809 O PHE A 54 3.583 -8.293 0.444 1.00 0.00 O ATOM 810 CB PHE A 54 0.421 -8.893 1.401 1.00 0.00 C ATOM 811 CG PHE A 54 0.166 -7.478 1.836 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.073 -6.814 2.645 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.981 -6.813 1.434 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.840 -5.512 3.047 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.219 -5.511 1.833 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.307 -4.859 2.639 1.00 0.00 C ATOM 0 H PHE A 54 2.819 -10.436 0.364 1.00 0.00 H new ATOM 0 HA PHE A 54 0.699 -8.805 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.533 -9.381 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.892 -9.437 2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.972 -7.319 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.697 -7.317 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.554 -5.006 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.118 -5.004 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.490 -3.841 2.950 1.00 0.00 H new ATOM 826 N ALA A 55 2.054 -6.698 0.020 1.00 0.00 N ATOM 827 CA ALA A 55 3.022 -5.608 0.056 1.00 0.00 C ATOM 828 C ALA A 55 2.404 -4.344 0.644 1.00 0.00 C ATOM 829 O ALA A 55 1.195 -4.131 0.552 1.00 0.00 O ATOM 830 CB ALA A 55 3.559 -5.334 -1.341 1.00 0.00 C ATOM 0 H ALA A 55 1.095 -6.405 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 55 3.849 -5.910 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.281 -4.518 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.046 -6.230 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.736 -5.057 -1.999 1.00 0.00 H new ATOM 836 N PHE A 56 3.241 -3.509 1.250 1.00 0.00 N ATOM 837 CA PHE A 56 2.776 -2.266 1.856 1.00 0.00 C ATOM 838 C PHE A 56 3.296 -1.057 1.083 1.00 0.00 C ATOM 839 O PHE A 56 4.490 -0.757 1.106 1.00 0.00 O ATOM 840 CB PHE A 56 3.228 -2.185 3.315 1.00 0.00 C ATOM 841 CG PHE A 56 2.239 -2.772 4.282 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.898 -2.431 4.214 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.651 -3.665 5.258 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.014 -2.970 5.102 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.743 -4.207 6.148 1.00 0.00 C ATOM 846 CZ PHE A 56 0.409 -3.858 6.071 1.00 0.00 C ATOM 0 H PHE A 56 4.245 -3.670 1.335 1.00 0.00 H new ATOM 0 HA PHE A 56 1.687 -2.258 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.180 -2.704 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.403 -1.141 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.561 -1.736 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.693 -3.941 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.057 -2.697 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.077 -4.903 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.302 -4.279 6.767 1.00 0.00 H new ATOM 856 N VAL A 57 2.390 -0.366 0.398 1.00 0.00 N ATOM 857 CA VAL A 57 2.755 0.811 -0.381 1.00 0.00 C ATOM 858 C VAL A 57 2.488 2.092 0.400 1.00 0.00 C ATOM 859 O VAL A 57 1.338 2.487 0.588 1.00 0.00 O ATOM 860 CB VAL A 57 1.983 0.864 -1.712 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.617 1.873 -2.658 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.927 -0.516 -2.351 1.00 0.00 C ATOM 0 H VAL A 57 1.398 -0.601 0.367 1.00 0.00 H new ATOM 0 HA VAL A 57 3.822 0.733 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 57 0.962 1.186 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.058 1.896 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.600 2.862 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.649 1.585 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.378 -0.460 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.940 -0.869 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.423 -1.209 -1.677 1.00 0.00 H new ATOM 872 N GLU A 58 3.559 2.738 0.853 1.00 0.00 N ATOM 873 CA GLU A 58 3.439 3.975 1.615 1.00 0.00 C ATOM 874 C GLU A 58 3.368 5.182 0.684 1.00 0.00 C ATOM 875 O GLU A 58 4.304 5.456 -0.068 1.00 0.00 O ATOM 876 CB GLU A 58 4.621 4.126 2.574 1.00 0.00 C ATOM 877 CG GLU A 58 4.292 4.924 3.825 1.00 0.00 C ATOM 878 CD GLU A 58 5.491 5.676 4.369 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.432 5.018 4.858 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.488 6.923 4.305 1.00 0.00 O ATOM 0 H GLU A 58 4.518 2.425 0.705 1.00 0.00 H new ATOM 0 HA GLU A 58 2.516 3.928 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.970 3.135 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.444 4.612 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.495 5.633 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.912 4.249 4.592 1.00 0.00 H new ATOM 887 N TYR A 59 2.252 5.900 0.740 1.00 0.00 N ATOM 888 CA TYR A 59 2.056 7.076 -0.100 1.00 0.00 C ATOM 889 C TYR A 59 2.256 8.358 0.703 1.00 0.00 C ATOM 890 O TYR A 59 1.711 8.509 1.796 1.00 0.00 O ATOM 891 CB TYR A 59 0.657 7.061 -0.717 1.00 0.00 C ATOM 892 CG TYR A 59 0.451 5.950 -1.723 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.096 4.672 -1.312 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.610 6.180 -3.084 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.093 3.654 -2.227 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.422 5.169 -4.006 1.00 0.00 C ATOM 897 CZ TYR A 59 0.071 3.908 -3.572 1.00 0.00 C ATOM 898 OH TYR A 59 -0.117 2.897 -4.487 1.00 0.00 O ATOM 0 H TYR A 59 1.469 5.688 1.358 1.00 0.00 H new ATOM 0 HA TYR A 59 2.798 7.049 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.081 6.961 0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.473 8.019 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.035 4.470 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.885 7.166 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.368 2.665 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.549 5.365 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 59 0.480 3.033 -5.252 1.00 0.00 H new ATOM 908 N GLU A 60 3.041 9.278 0.151 1.00 0.00 N ATOM 909 CA GLU A 60 3.314 10.547 0.816 1.00 0.00 C ATOM 910 C GLU A 60 2.021 11.318 1.067 1.00 0.00 C ATOM 911 O GLU A 60 1.779 11.802 2.173 1.00 0.00 O ATOM 912 CB GLU A 60 4.270 11.394 -0.026 1.00 0.00 C ATOM 913 CG GLU A 60 3.770 11.656 -1.437 1.00 0.00 C ATOM 914 CD GLU A 60 4.779 12.406 -2.284 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.238 13.482 -1.846 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.111 11.917 -3.384 1.00 0.00 O ATOM 0 H GLU A 60 3.499 9.169 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 60 3.781 10.332 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.434 12.348 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.236 10.892 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.533 10.706 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.844 12.229 -1.390 1.00 0.00 H new ATOM 923 N SER A 61 1.194 11.428 0.032 1.00 0.00 N ATOM 924 CA SER A 61 -0.072 12.144 0.139 1.00 0.00 C ATOM 925 C SER A 61 -1.206 11.191 0.506 1.00 0.00 C ATOM 926 O SER A 61 -1.458 10.209 -0.193 1.00 0.00 O ATOM 927 CB SER A 61 -0.394 12.853 -1.178 1.00 0.00 C ATOM 928 OG SER A 61 -1.271 13.945 -0.968 1.00 0.00 O ATOM 0 H SER A 61 1.378 11.031 -0.889 1.00 0.00 H new ATOM 0 HA SER A 61 0.025 12.888 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.528 13.207 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.848 12.147 -1.873 1.00 0.00 H new ATOM 0 HG SER A 61 -1.460 14.382 -1.824 1.00 0.00 H new ATOM 934 N HIS A 62 -1.886 11.488 1.609 1.00 0.00 N ATOM 935 CA HIS A 62 -2.994 10.659 2.070 1.00 0.00 C ATOM 936 C HIS A 62 -3.954 10.348 0.926 1.00 0.00 C ATOM 937 O HIS A 62 -4.589 9.294 0.904 1.00 0.00 O ATOM 938 CB HIS A 62 -3.743 11.357 3.205 1.00 0.00 C ATOM 939 CG HIS A 62 -4.594 10.432 4.020 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.473 9.529 3.460 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.695 10.272 5.360 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.080 8.855 4.421 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.625 9.287 5.584 1.00 0.00 N ATOM 0 H HIS A 62 -1.689 12.296 2.200 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.583 9.720 2.440 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.021 11.844 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.373 12.141 2.785 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.630 9.401 2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.146 10.818 6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.822 8.083 4.280 1.00 0.00 H new ATOM 951 N ARG A 63 -4.055 11.274 -0.023 1.00 0.00 N ATOM 952 CA ARG A 63 -4.939 11.099 -1.169 1.00 0.00 C ATOM 953 C ARG A 63 -4.307 10.178 -2.208 1.00 0.00 C ATOM 954 O ARG A 63 -4.965 9.286 -2.744 1.00 0.00 O ATOM 955 CB ARG A 63 -5.261 12.454 -1.802 1.00 0.00 C ATOM 956 CG ARG A 63 -6.239 12.367 -2.963 1.00 0.00 C ATOM 957 CD ARG A 63 -7.656 12.104 -2.478 1.00 0.00 C ATOM 958 NE ARG A 63 -8.361 13.341 -2.151 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.487 13.380 -1.447 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.033 12.258 -1.000 1.00 0.00 N ATOM 961 NH2 ARG A 63 -10.069 14.545 -1.190 1.00 0.00 N ATOM 0 H ARG A 63 -3.536 12.152 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.863 10.640 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.674 13.113 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.335 12.912 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.214 13.297 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.931 11.571 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.208 11.565 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.625 11.461 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.968 14.222 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.589 11.361 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.898 12.291 -0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.652 15.410 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.934 14.575 -0.650 1.00 0.00 H new ATOM 975 N ALA A 64 -3.027 10.400 -2.488 1.00 0.00 N ATOM 976 CA ALA A 64 -2.305 9.589 -3.461 1.00 0.00 C ATOM 977 C ALA A 64 -2.649 8.111 -3.307 1.00 0.00 C ATOM 978 O ALA A 64 -2.586 7.346 -4.268 1.00 0.00 O ATOM 979 CB ALA A 64 -0.806 9.802 -3.317 1.00 0.00 C ATOM 0 H ALA A 64 -2.468 11.135 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.611 9.904 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.280 9.190 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.570 10.853 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.493 9.516 -2.313 1.00 0.00 H new ATOM 985 N ALA A 65 -3.013 7.717 -2.091 1.00 0.00 N ATOM 986 CA ALA A 65 -3.368 6.331 -1.812 1.00 0.00 C ATOM 987 C ALA A 65 -4.855 6.087 -2.047 1.00 0.00 C ATOM 988 O ALA A 65 -5.242 5.078 -2.635 1.00 0.00 O ATOM 989 CB ALA A 65 -2.992 5.967 -0.383 1.00 0.00 C ATOM 0 H ALA A 65 -3.070 8.338 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.809 5.694 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.263 4.929 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.918 6.094 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.525 6.617 0.310 1.00 0.00 H new ATOM 995 N ALA A 66 -5.683 7.018 -1.584 1.00 0.00 N ATOM 996 CA ALA A 66 -7.127 6.904 -1.746 1.00 0.00 C ATOM 997 C ALA A 66 -7.510 6.817 -3.220 1.00 0.00 C ATOM 998 O ALA A 66 -8.290 5.953 -3.618 1.00 0.00 O ATOM 999 CB ALA A 66 -7.827 8.083 -1.086 1.00 0.00 C ATOM 0 H ALA A 66 -5.378 7.859 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.450 5.984 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.905 7.985 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.589 8.099 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.490 9.011 -1.547 1.00 0.00 H new ATOM 1005 N MET A 67 -6.955 7.719 -4.024 1.00 0.00 N ATOM 1006 CA MET A 67 -7.238 7.743 -5.454 1.00 0.00 C ATOM 1007 C MET A 67 -6.485 6.631 -6.177 1.00 0.00 C ATOM 1008 O MET A 67 -6.854 6.234 -7.281 1.00 0.00 O ATOM 1009 CB MET A 67 -6.859 9.101 -6.048 1.00 0.00 C ATOM 1010 CG MET A 67 -5.400 9.471 -5.836 1.00 0.00 C ATOM 1011 SD MET A 67 -4.811 10.686 -7.030 1.00 0.00 S ATOM 1012 CE MET A 67 -3.228 9.980 -7.479 1.00 0.00 C ATOM 0 H MET A 67 -6.308 8.442 -3.709 1.00 0.00 H new ATOM 0 HA MET A 67 -8.307 7.581 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.072 9.093 -7.117 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.489 9.871 -5.603 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.272 9.866 -4.828 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.787 8.572 -5.906 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.511 10.781 -7.662 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.867 9.349 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.340 9.380 -8.382 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.426 6.132 -5.546 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.622 5.065 -6.128 1.00 0.00 C ATOM 1024 C ALA A 68 -5.359 3.731 -6.075 1.00 0.00 C ATOM 1025 O ALA A 68 -5.398 2.993 -7.059 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.285 4.960 -5.410 1.00 0.00 C ATOM 0 H ALA A 68 -5.106 6.450 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.442 5.309 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.695 4.159 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.746 5.903 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.454 4.743 -4.355 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.941 3.428 -4.919 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.675 2.181 -4.738 1.00 0.00 C ATOM 1034 C ARG A 69 -7.888 2.125 -5.662 1.00 0.00 C ATOM 1035 O ARG A 69 -8.232 1.066 -6.187 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.123 2.035 -3.282 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.896 3.235 -2.759 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.229 3.083 -1.283 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.493 2.382 -1.077 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.681 2.914 -1.345 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.766 4.145 -1.829 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.787 2.212 -1.131 1.00 0.00 N ATOM 0 H ARG A 69 -5.919 4.028 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.009 1.356 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.745 1.145 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.246 1.877 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.309 4.141 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.817 3.353 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.427 2.538 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.281 4.068 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.463 1.432 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.918 4.687 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.679 4.551 -2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.725 1.264 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.698 2.621 -1.337 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.532 3.271 -5.855 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.707 3.352 -6.714 1.00 0.00 C ATOM 1058 C ARG A 70 -9.356 2.981 -8.152 1.00 0.00 C ATOM 1059 O ARG A 70 -10.236 2.845 -9.002 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.301 4.761 -6.671 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.381 4.999 -7.713 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.246 6.198 -7.356 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.391 6.334 -8.253 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.358 7.228 -8.079 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.319 8.060 -7.048 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.368 7.290 -8.938 1.00 0.00 N ATOM 0 H ARG A 70 -8.260 4.156 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.446 2.642 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.718 4.940 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.502 5.488 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.919 5.160 -8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.007 4.111 -7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.599 6.097 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.643 7.105 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.451 5.709 -9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.545 8.015 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.063 8.745 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.402 6.651 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.110 7.977 -8.804 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.064 2.819 -8.417 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.595 2.462 -9.751 1.00 0.00 C ATOM 1082 C LYS A 71 -7.335 0.963 -9.854 1.00 0.00 C ATOM 1083 O LYS A 71 -7.559 0.354 -10.901 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.319 3.236 -10.089 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.855 3.049 -11.523 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.584 3.831 -11.805 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.820 3.248 -12.983 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.797 4.195 -13.505 1.00 0.00 N ATOM 0 H LYS A 71 -7.323 2.929 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.374 2.727 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.489 4.297 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.523 2.920 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.682 1.990 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.641 3.372 -12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.834 4.872 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.948 3.826 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.334 2.321 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.519 2.994 -13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.454 3.861 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.221 5.139 -13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.000 4.248 -12.838 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.863 0.373 -8.762 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.575 -1.057 -8.729 1.00 0.00 C ATOM 1104 C LEU A 72 -7.647 -1.811 -7.948 1.00 0.00 C ATOM 1105 O LEU A 72 -7.538 -3.018 -7.733 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.202 -1.306 -8.102 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.126 -0.262 -8.405 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.860 -0.555 -7.616 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.829 -0.221 -9.897 1.00 0.00 C ATOM 0 H LEU A 72 -6.671 0.862 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.572 -1.426 -9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.325 -1.369 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.842 -2.278 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.500 0.716 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.106 0.198 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.083 -0.533 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.482 -1.541 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.061 0.527 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.476 -1.199 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.737 0.038 -10.442 1.00 0.00 H new ATOM 1121 N MET A 73 -8.683 -1.092 -7.530 1.00 0.00 N ATOM 1122 CA MET A 73 -9.777 -1.694 -6.777 1.00 0.00 C ATOM 1123 C MET A 73 -10.472 -2.775 -7.598 1.00 0.00 C ATOM 1124 O MET A 73 -10.649 -3.909 -7.153 1.00 0.00 O ATOM 1125 CB MET A 73 -10.788 -0.624 -6.360 1.00 0.00 C ATOM 1126 CG MET A 73 -11.386 -0.857 -4.982 1.00 0.00 C ATOM 1127 SD MET A 73 -12.277 -2.420 -4.867 1.00 0.00 S ATOM 1128 CE MET A 73 -11.224 -3.328 -3.738 1.00 0.00 C ATOM 0 H MET A 73 -8.788 -0.092 -7.700 1.00 0.00 H new ATOM 0 HA MET A 73 -9.358 -2.155 -5.883 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.300 0.351 -6.375 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.592 -0.590 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.590 -0.841 -4.237 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.064 -0.038 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.696 -4.277 -3.483 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.261 -3.518 -4.212 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.073 -2.743 -2.831 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.875 -2.418 -8.827 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.557 -3.344 -9.736 1.00 0.00 C ATOM 1140 C PRO A 74 -10.630 -4.439 -10.252 1.00 0.00 C ATOM 1141 O PRO A 74 -11.063 -5.358 -10.945 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.012 -2.442 -10.886 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.061 -1.295 -10.866 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.697 -1.084 -9.423 1.00 0.00 C ATOM 0 HA PRO A 74 -12.373 -3.872 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.977 -2.969 -11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.039 -2.107 -10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.176 -1.512 -11.464 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.520 -0.401 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.672 -0.729 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.342 -0.343 -8.950 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.349 -4.333 -9.909 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.380 -5.321 -10.347 1.00 0.00 C ATOM 1154 C GLY A 75 -8.100 -5.238 -11.834 1.00 0.00 C ATOM 1155 O GLY A 75 -7.695 -6.223 -12.452 1.00 0.00 O ATOM 0 H GLY A 75 -8.966 -3.581 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.449 -5.182 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.747 -6.318 -10.105 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.316 -4.061 -12.411 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.087 -3.855 -13.836 1.00 0.00 C ATOM 1161 C ARG A 76 -6.603 -3.973 -14.171 1.00 0.00 C ATOM 1162 O ARG A 76 -6.235 -4.399 -15.266 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.610 -2.483 -14.266 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.122 -2.355 -14.185 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.796 -2.937 -15.418 1.00 0.00 C ATOM 1166 NE ARG A 76 -11.091 -4.359 -15.261 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.423 -5.157 -16.270 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.501 -4.675 -17.502 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -11.676 -6.440 -16.047 1.00 0.00 N ATOM 0 H ARG A 76 -8.649 -3.235 -11.914 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.628 -4.629 -14.380 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.155 -1.717 -13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.292 -2.287 -15.290 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.485 -2.868 -13.294 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.395 -1.305 -14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.721 -2.395 -15.616 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.151 -2.794 -16.285 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.039 -4.761 -14.325 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.306 -3.689 -17.677 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.756 -5.290 -18.275 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.616 -6.815 -15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.931 -7.052 -16.822 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.756 -3.592 -13.221 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.312 -3.655 -13.414 1.00 0.00 C ATOM 1185 C ILE A 77 -3.720 -4.883 -12.732 1.00 0.00 C ATOM 1186 O ILE A 77 -4.116 -5.240 -11.623 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.615 -2.394 -12.872 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -3.954 -1.183 -13.743 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.110 -2.605 -12.811 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.180 -0.428 -13.279 1.00 0.00 C ATOM 0 H ILE A 77 -6.045 -3.236 -12.310 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.140 -3.720 -14.488 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.976 -2.203 -11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.102 -0.504 -13.754 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.109 -1.516 -14.769 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.632 -1.704 -12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.887 -3.445 -12.153 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.732 -2.817 -13.811 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.360 0.417 -13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.044 -1.092 -13.295 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.021 -0.064 -12.264 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.767 -5.524 -13.402 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.119 -6.712 -12.858 1.00 0.00 C ATOM 1204 C GLN A 78 -0.609 -6.517 -12.774 1.00 0.00 C ATOM 1205 O GLN A 78 -0.010 -5.849 -13.618 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.441 -7.934 -13.721 1.00 0.00 C ATOM 1207 CG GLN A 78 -3.929 -8.224 -13.833 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.215 -9.543 -14.523 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.217 -9.627 -15.751 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.460 -10.584 -13.734 1.00 0.00 N ATOM 0 H GLN A 78 -2.427 -5.241 -14.321 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.502 -6.876 -11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.033 -7.781 -14.720 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.940 -8.807 -13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.369 -8.237 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.412 -7.417 -14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.448 -10.470 -12.720 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.660 -11.497 -14.142 1.00 0.00 H new ATOM 1219 N LEU A 79 0.003 -7.106 -11.752 1.00 0.00 N ATOM 1220 CA LEU A 79 1.444 -6.997 -11.557 1.00 0.00 C ATOM 1221 C LEU A 79 2.138 -8.317 -11.879 1.00 0.00 C ATOM 1222 O LEU A 79 1.881 -9.336 -11.240 1.00 0.00 O ATOM 1223 CB LEU A 79 1.755 -6.582 -10.118 1.00 0.00 C ATOM 1224 CG LEU A 79 1.144 -5.259 -9.654 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.389 -5.050 -8.168 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.713 -4.099 -10.459 1.00 0.00 C ATOM 0 H LEU A 79 -0.477 -7.664 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 79 1.821 -6.234 -12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.411 -7.372 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.837 -6.519 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 79 0.068 -5.299 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.947 -4.104 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.934 -5.866 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.462 -5.031 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.268 -3.165 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.794 -4.057 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.486 -4.243 -11.515 1.00 0.00 H new ATOM 1238 N TRP A 80 3.019 -8.288 -12.872 1.00 0.00 N ATOM 1239 CA TRP A 80 3.752 -9.482 -13.278 1.00 0.00 C ATOM 1240 C TRP A 80 2.797 -10.578 -13.737 1.00 0.00 C ATOM 1241 O TRP A 80 3.042 -11.763 -13.513 1.00 0.00 O ATOM 1242 CB TRP A 80 4.615 -9.993 -12.122 1.00 0.00 C ATOM 1243 CG TRP A 80 5.398 -8.910 -11.443 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.556 -8.335 -11.884 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.081 -8.275 -10.199 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.977 -7.381 -10.990 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.089 -7.324 -9.948 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.043 -8.416 -9.275 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.088 -6.521 -8.811 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.043 -7.618 -8.146 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.059 -6.680 -7.923 1.00 0.00 C ATOM 0 H TRP A 80 3.243 -7.452 -13.411 1.00 0.00 H new ATOM 0 HA TRP A 80 4.397 -9.214 -14.115 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.975 -10.483 -11.389 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.304 -10.749 -12.499 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.066 -8.593 -12.801 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.815 -6.808 -11.086 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.255 -9.135 -9.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.871 -5.798 -8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.246 -7.720 -7.424 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.030 -6.070 -7.032 1.00 0.00 H new ATOM 1262 N GLY A 81 1.706 -10.174 -14.381 1.00 0.00 N ATOM 1263 CA GLY A 81 0.730 -11.135 -14.862 1.00 0.00 C ATOM 1264 C GLY A 81 -0.130 -11.695 -13.747 1.00 0.00 C ATOM 1265 O GLY A 81 -0.991 -12.543 -13.983 1.00 0.00 O ATOM 0 H GLY A 81 1.481 -9.199 -14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.091 -10.658 -15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.247 -11.953 -15.364 1.00 0.00 H new ATOM 1269 N HIS A 82 0.102 -11.221 -12.527 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.658 -11.680 -11.370 1.00 0.00 C ATOM 1271 C HIS A 82 -1.666 -10.624 -10.928 1.00 0.00 C ATOM 1272 O HIS A 82 -1.358 -9.433 -10.898 1.00 0.00 O ATOM 1273 CB HIS A 82 0.285 -12.017 -10.215 1.00 0.00 C ATOM 1274 CG HIS A 82 1.265 -13.102 -10.539 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.946 -13.814 -9.574 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.677 -13.596 -11.729 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.735 -14.698 -10.157 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.590 -14.587 -11.465 1.00 0.00 N ATOM 0 H HIS A 82 0.811 -10.519 -12.314 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.203 -12.579 -11.658 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.832 -11.118 -9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.306 -12.319 -9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.349 -13.271 -12.705 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.388 -15.393 -9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.077 -15.146 -12.165 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.871 -11.069 -10.587 1.00 0.00 N ATOM 1287 CA GLN A 83 -3.925 -10.161 -10.148 1.00 0.00 C ATOM 1288 C GLN A 83 -3.653 -9.654 -8.736 1.00 0.00 C ATOM 1289 O GLN A 83 -3.156 -10.393 -7.886 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.284 -10.860 -10.199 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.668 -11.539 -8.895 1.00 0.00 C ATOM 1292 CD GLN A 83 -6.652 -12.675 -9.095 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.719 -12.491 -9.681 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -6.297 -13.858 -8.609 1.00 0.00 N ATOM 0 H GLN A 83 -3.142 -12.052 -10.606 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.939 -9.307 -10.825 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.050 -10.129 -10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.271 -11.603 -10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.770 -11.923 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.103 -10.802 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.403 -13.965 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.918 -14.660 -8.714 1.00 0.00 H new ATOM 1303 N ILE A 84 -3.982 -8.390 -8.493 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.774 -7.785 -7.183 1.00 0.00 C ATOM 1305 C ILE A 84 -4.986 -6.963 -6.758 1.00 0.00 C ATOM 1306 O ILE A 84 -5.806 -6.573 -7.588 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.526 -6.882 -7.172 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.491 -6.007 -8.427 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.263 -7.724 -7.071 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.321 -4.748 -8.309 1.00 0.00 C ATOM 0 H ILE A 84 -4.394 -7.765 -9.186 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.627 -8.603 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.575 -6.231 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.458 -5.733 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.848 -6.590 -9.276 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.390 -7.071 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.287 -8.307 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.206 -8.398 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.249 -4.177 -9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.362 -5.014 -8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.950 -4.144 -7.481 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.091 -6.703 -5.459 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.201 -5.924 -4.924 1.00 0.00 C ATOM 1324 C ALA A 85 -5.703 -4.835 -3.980 1.00 0.00 C ATOM 1325 O ALA A 85 -4.624 -4.950 -3.398 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.188 -6.835 -4.207 1.00 0.00 C ATOM 0 H ALA A 85 -4.421 -7.020 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.709 -5.441 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.012 -6.240 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.577 -7.573 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.683 -7.345 -3.386 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.495 -3.778 -3.833 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.134 -2.668 -2.960 1.00 0.00 C ATOM 1334 C VAL A 86 -7.211 -2.422 -1.909 1.00 0.00 C ATOM 1335 O VAL A 86 -8.366 -2.154 -2.240 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.910 -1.372 -3.762 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.629 -1.463 -4.578 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.105 -1.089 -4.660 1.00 0.00 C ATOM 0 H VAL A 86 -7.391 -3.667 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.203 -2.945 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.807 -0.544 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.488 -0.538 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.782 -1.616 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.699 -2.300 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.930 -0.170 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.241 -1.917 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.001 -0.977 -4.049 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.825 -2.516 -0.641 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.758 -2.302 0.459 1.00 0.00 C ATOM 1350 C ASP A 87 -7.232 -1.239 1.419 1.00 0.00 C ATOM 1351 O ASP A 87 -6.085 -0.804 1.310 1.00 0.00 O ATOM 1352 CB ASP A 87 -8.000 -3.611 1.212 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.372 -3.664 1.855 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.281 -2.959 1.371 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.537 -4.411 2.842 1.00 0.00 O ATOM 0 H ASP A 87 -5.873 -2.739 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.702 -1.953 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.892 -4.448 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.237 -3.731 1.981 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.077 -0.825 2.355 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.698 0.188 3.333 1.00 0.00 C ATOM 1362 C TRP A 88 -6.946 -0.439 4.503 1.00 0.00 C ATOM 1363 O TRP A 88 -7.546 -1.076 5.367 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.938 0.924 3.844 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.320 2.101 2.998 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.516 2.306 2.371 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.501 3.233 2.685 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.490 3.498 1.688 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.266 4.086 1.865 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.198 3.611 3.019 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.768 5.290 1.375 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.705 4.806 2.532 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.489 5.635 1.718 1.00 0.00 C ATOM 0 H TRP A 88 -9.030 -1.175 2.458 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.038 0.902 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.775 0.227 3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.756 1.262 4.864 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.358 1.631 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.258 3.883 1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.587 2.980 3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.370 5.929 0.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.698 5.107 2.783 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.076 6.564 1.354 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.630 -0.252 4.523 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.798 -0.798 5.588 1.00 0.00 C ATOM 1386 C ALA A 89 -5.404 -0.514 6.958 1.00 0.00 C ATOM 1387 O ALA A 89 -5.720 -1.436 7.710 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.391 -0.227 5.503 1.00 0.00 C ATOM 0 H ALA A 89 -5.118 0.273 3.814 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.748 -1.879 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.780 -0.643 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.951 -0.485 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.432 0.858 5.604 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.563 0.767 7.277 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.130 1.170 8.558 1.00 0.00 C ATOM 1396 C GLU A 90 -7.610 0.804 8.638 1.00 0.00 C ATOM 1397 O GLU A 90 -8.376 1.003 7.695 1.00 0.00 O ATOM 1398 CB GLU A 90 -5.954 2.675 8.768 1.00 0.00 C ATOM 1399 CG GLU A 90 -4.508 3.136 8.684 1.00 0.00 C ATOM 1400 CD GLU A 90 -3.608 2.414 9.668 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -3.136 1.307 9.337 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -3.377 2.956 10.769 1.00 0.00 O ATOM 0 H GLU A 90 -5.307 1.543 6.666 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.598 0.636 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.541 3.209 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.357 2.947 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.137 2.974 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.461 4.208 8.873 1.00 0.00 H new ATOM 1409 N PRO A 91 -8.022 0.255 9.790 1.00 0.00 N ATOM 1410 CA PRO A 91 -9.412 -0.150 10.021 1.00 0.00 C ATOM 1411 C PRO A 91 -10.352 1.044 10.140 1.00 0.00 C ATOM 1412 O PRO A 91 -11.378 1.107 9.464 1.00 0.00 O ATOM 1413 CB PRO A 91 -9.343 -0.911 11.348 1.00 0.00 C ATOM 1414 CG PRO A 91 -8.146 -0.357 12.041 1.00 0.00 C ATOM 1415 CD PRO A 91 -7.163 -0.011 10.956 1.00 0.00 C ATOM 0 HA PRO A 91 -9.807 -0.741 9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.247 -0.760 11.938 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.244 -1.984 11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.407 0.524 12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.723 -1.086 12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.563 0.860 11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.470 -0.830 10.766 1.00 0.00 H new ATOM 1423 N GLU A 92 -9.994 1.990 11.003 1.00 0.00 N ATOM 1424 CA GLU A 92 -10.807 3.182 11.210 1.00 0.00 C ATOM 1425 C GLU A 92 -9.938 4.436 11.237 1.00 0.00 C ATOM 1426 O GLU A 92 -9.421 4.822 12.286 1.00 0.00 O ATOM 1427 CB GLU A 92 -11.598 3.068 12.515 1.00 0.00 C ATOM 1428 CG GLU A 92 -12.561 1.893 12.542 1.00 0.00 C ATOM 1429 CD GLU A 92 -13.208 1.701 13.900 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -13.620 2.709 14.510 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -13.302 0.540 14.352 1.00 0.00 O ATOM 0 H GLU A 92 -9.147 1.954 11.570 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.505 3.263 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.899 2.974 13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.158 3.990 12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.337 2.047 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.027 0.984 12.266 1.00 0.00 H new ATOM 1438 N ILE A 93 -9.782 5.066 10.078 1.00 0.00 N ATOM 1439 CA ILE A 93 -8.976 6.276 9.969 1.00 0.00 C ATOM 1440 C ILE A 93 -9.780 7.510 10.364 1.00 0.00 C ATOM 1441 O ILE A 93 -10.940 7.405 10.763 1.00 0.00 O ATOM 1442 CB ILE A 93 -8.436 6.465 8.539 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -8.261 5.109 7.852 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -7.118 7.224 8.567 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -9.489 4.653 7.095 1.00 0.00 C ATOM 0 H ILE A 93 -10.203 4.759 9.201 1.00 0.00 H new ATOM 0 HA ILE A 93 -8.136 6.159 10.654 1.00 0.00 H new ATOM 0 HB ILE A 93 -9.158 7.049 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.419 5.166 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -8.008 4.360 8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.749 7.350 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.272 8.203 9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.388 6.664 9.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.293 3.685 6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.329 4.563 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.731 5.382 6.321 1.00 0.00 H new ATOM 1457 N ASP A 94 -9.157 8.677 10.249 1.00 0.00 N ATOM 1458 CA ASP A 94 -9.815 9.932 10.592 1.00 0.00 C ATOM 1459 C ASP A 94 -10.401 10.595 9.349 1.00 0.00 C ATOM 1460 O ASP A 94 -10.431 11.821 9.242 1.00 0.00 O ATOM 1461 CB ASP A 94 -8.828 10.881 11.273 1.00 0.00 C ATOM 1462 CG ASP A 94 -9.516 11.860 12.205 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -10.031 11.419 13.253 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -9.539 13.067 11.885 1.00 0.00 O ATOM 0 H ASP A 94 -8.197 8.780 9.921 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.629 9.710 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.098 10.299 11.836 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.276 11.434 10.513 1.00 0.00 H new ATOM 1469 N VAL A 95 -10.866 9.776 8.411 1.00 0.00 N ATOM 1470 CA VAL A 95 -11.452 10.283 7.175 1.00 0.00 C ATOM 1471 C VAL A 95 -12.849 10.841 7.418 1.00 0.00 C ATOM 1472 O VAL A 95 -13.190 11.921 6.934 1.00 0.00 O ATOM 1473 CB VAL A 95 -11.529 9.183 6.099 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -10.135 8.778 5.647 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -12.300 7.980 6.622 1.00 0.00 C ATOM 0 H VAL A 95 -10.848 8.759 8.483 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.802 11.083 6.820 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.062 9.581 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.211 8.000 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.622 9.644 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.572 8.399 6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -12.345 7.213 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -11.797 7.580 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.312 8.285 6.890 1.00 0.00 H new ATOM 1485 N ASP A 96 -13.654 10.099 8.171 1.00 0.00 N ATOM 1486 CA ASP A 96 -15.016 10.521 8.480 1.00 0.00 C ATOM 1487 C ASP A 96 -15.054 11.996 8.864 1.00 0.00 C ATOM 1488 O ASP A 96 -15.937 12.737 8.433 1.00 0.00 O ATOM 1489 CB ASP A 96 -15.590 9.670 9.614 1.00 0.00 C ATOM 1490 CG ASP A 96 -14.561 9.356 10.681 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -13.851 8.338 10.539 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -14.464 10.128 11.657 1.00 0.00 O ATOM 0 H ASP A 96 -13.387 9.203 8.579 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.625 10.382 7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.431 10.194 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -15.979 8.738 9.204 1.00 0.00 H new ATOM 1497 N GLU A 97 -14.090 12.416 9.678 1.00 0.00 N ATOM 1498 CA GLU A 97 -14.016 13.803 10.122 1.00 0.00 C ATOM 1499 C GLU A 97 -13.213 14.647 9.137 1.00 0.00 C ATOM 1500 O GLU A 97 -13.682 15.682 8.663 1.00 0.00 O ATOM 1501 CB GLU A 97 -13.383 13.883 11.513 1.00 0.00 C ATOM 1502 CG GLU A 97 -14.322 13.468 12.634 1.00 0.00 C ATOM 1503 CD GLU A 97 -13.762 13.780 14.008 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -13.028 12.932 14.557 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -14.060 14.873 14.535 1.00 0.00 O ATOM 0 H GLU A 97 -13.350 11.816 10.043 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.031 14.198 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.498 13.247 11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -13.046 14.904 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.277 13.978 12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.520 12.399 12.560 1.00 0.00 H new ATOM 1512 N ASP A 98 -12.000 14.198 8.833 1.00 0.00 N ATOM 1513 CA ASP A 98 -11.131 14.910 7.904 1.00 0.00 C ATOM 1514 C ASP A 98 -10.514 13.950 6.892 1.00 0.00 C ATOM 1515 O ASP A 98 -9.655 13.138 7.235 1.00 0.00 O ATOM 1516 CB ASP A 98 -10.028 15.646 8.666 1.00 0.00 C ATOM 1517 CG ASP A 98 -10.532 16.906 9.341 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -11.679 16.898 9.834 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -9.778 17.901 9.378 1.00 0.00 O ATOM 0 H ASP A 98 -11.596 13.344 9.217 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.737 15.638 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.603 14.980 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.224 15.903 7.977 1.00 0.00 H new ATOM 1524 N VAL A 99 -10.959 14.048 5.643 1.00 0.00 N ATOM 1525 CA VAL A 99 -10.451 13.189 4.581 1.00 0.00 C ATOM 1526 C VAL A 99 -9.901 14.014 3.422 1.00 0.00 C ATOM 1527 O VAL A 99 -8.924 13.628 2.781 1.00 0.00 O ATOM 1528 CB VAL A 99 -11.546 12.245 4.050 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -12.668 13.040 3.401 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -10.956 11.242 3.070 1.00 0.00 C ATOM 0 H VAL A 99 -11.671 14.714 5.342 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.647 12.594 5.013 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.964 11.693 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.432 12.356 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.109 13.714 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.269 13.621 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.744 10.583 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.509 11.774 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.191 10.649 3.572 1.00 0.00 H new ATOM 1540 N MET A 100 -10.535 15.151 3.160 1.00 0.00 N ATOM 1541 CA MET A 100 -10.109 16.032 2.079 1.00 0.00 C ATOM 1542 C MET A 100 -9.383 17.256 2.629 1.00 0.00 C ATOM 1543 O MET A 100 -9.177 17.375 3.836 1.00 0.00 O ATOM 1544 CB MET A 100 -11.313 16.472 1.244 1.00 0.00 C ATOM 1545 CG MET A 100 -12.426 17.100 2.067 1.00 0.00 C ATOM 1546 SD MET A 100 -13.417 18.269 1.118 1.00 0.00 S ATOM 1547 CE MET A 100 -15.020 18.060 1.889 1.00 0.00 C ATOM 0 H MET A 100 -11.346 15.485 3.681 1.00 0.00 H new ATOM 0 HA MET A 100 -9.419 15.477 1.443 1.00 0.00 H new ATOM 0 HB2 MET A 100 -10.981 17.187 0.491 1.00 0.00 H new ATOM 0 HB3 MET A 100 -11.710 15.608 0.710 1.00 0.00 H new ATOM 0 HG2 MET A 100 -13.073 16.314 2.456 1.00 0.00 H new ATOM 0 HG3 MET A 100 -11.993 17.611 2.927 1.00 0.00 H new ATOM 0 HE1 MET A 100 -15.743 18.719 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 100 -15.344 17.025 1.780 1.00 0.00 H new ATOM 0 HE3 MET A 100 -14.950 18.308 2.948 1.00 0.00 H new ATOM 1557 N GLU A 101 -8.999 18.162 1.736 1.00 0.00 N ATOM 1558 CA GLU A 101 -8.295 19.376 2.134 1.00 0.00 C ATOM 1559 C GLU A 101 -9.255 20.560 2.214 1.00 0.00 C ATOM 1560 O GLU A 101 -9.866 20.948 1.218 1.00 0.00 O ATOM 1561 CB GLU A 101 -7.168 19.686 1.146 1.00 0.00 C ATOM 1562 CG GLU A 101 -7.657 19.997 -0.258 1.00 0.00 C ATOM 1563 CD GLU A 101 -6.632 19.657 -1.322 1.00 0.00 C ATOM 1564 OE1 GLU A 101 -5.735 18.835 -1.039 1.00 0.00 O ATOM 1565 OE2 GLU A 101 -6.725 20.213 -2.436 1.00 0.00 O ATOM 0 H GLU A 101 -9.163 18.079 0.733 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.867 19.209 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.594 20.535 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.488 18.835 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.574 19.440 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.907 21.056 -0.325 1.00 0.00 H new ATOM 1572 N THR A 102 -9.384 21.129 3.409 1.00 0.00 N ATOM 1573 CA THR A 102 -10.270 22.267 3.621 1.00 0.00 C ATOM 1574 C THR A 102 -9.705 23.214 4.674 1.00 0.00 C ATOM 1575 O THR A 102 -9.476 22.821 5.818 1.00 0.00 O ATOM 1576 CB THR A 102 -11.675 21.811 4.058 1.00 0.00 C ATOM 1577 OG1 THR A 102 -11.571 20.848 5.113 1.00 0.00 O ATOM 1578 CG2 THR A 102 -12.436 21.208 2.887 1.00 0.00 C ATOM 0 H THR A 102 -8.886 20.820 4.244 1.00 0.00 H new ATOM 0 HA THR A 102 -10.346 22.791 2.668 1.00 0.00 H new ATOM 0 HB THR A 102 -12.222 22.683 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 102 -10.850 21.109 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 102 -13.425 20.893 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 102 -12.538 21.953 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.890 20.346 2.504 1.00 0.00 H new ATOM 1586 N VAL A 103 -9.484 24.464 4.281 1.00 0.00 N ATOM 1587 CA VAL A 103 -8.947 25.469 5.192 1.00 0.00 C ATOM 1588 C VAL A 103 -9.873 25.678 6.385 1.00 0.00 C ATOM 1589 O VAL A 103 -11.035 25.273 6.361 1.00 0.00 O ATOM 1590 CB VAL A 103 -8.735 26.817 4.478 1.00 0.00 C ATOM 1591 CG1 VAL A 103 -7.696 26.681 3.376 1.00 0.00 C ATOM 1592 CG2 VAL A 103 -10.052 27.337 3.920 1.00 0.00 C ATOM 0 H VAL A 103 -9.668 24.806 3.338 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.984 25.097 5.543 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.364 27.539 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.560 27.644 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.749 26.357 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.033 25.945 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.884 28.290 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.454 26.618 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.763 27.476 4.735 1.00 0.00 H new ATOM 1602 N SER A 104 -9.349 26.313 7.429 1.00 0.00 N ATOM 1603 CA SER A 104 -10.127 26.573 8.634 1.00 0.00 C ATOM 1604 C SER A 104 -9.857 27.979 9.161 1.00 0.00 C ATOM 1605 O SER A 104 -8.716 28.437 9.186 1.00 0.00 O ATOM 1606 CB SER A 104 -9.796 25.540 9.713 1.00 0.00 C ATOM 1607 OG SER A 104 -8.420 25.577 10.050 1.00 0.00 O ATOM 0 H SER A 104 -8.389 26.657 7.464 1.00 0.00 H new ATOM 0 HA SER A 104 -11.184 26.495 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.397 25.733 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.060 24.543 9.360 1.00 0.00 H new ATOM 0 HG SER A 104 -8.235 24.909 10.743 1.00 0.00 H new ATOM 1613 N GLY A 105 -10.919 28.660 9.583 1.00 0.00 N ATOM 1614 CA GLY A 105 -10.777 30.007 10.104 1.00 0.00 C ATOM 1615 C GLY A 105 -11.857 30.357 11.109 1.00 0.00 C ATOM 1616 O GLY A 105 -13.000 29.912 11.004 1.00 0.00 O ATOM 0 H GLY A 105 -11.874 28.303 9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.799 30.110 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.809 30.718 9.278 1.00 0.00 H new ATOM 1620 N PRO A 106 -11.496 31.170 12.112 1.00 0.00 N ATOM 1621 CA PRO A 106 -12.428 31.596 13.161 1.00 0.00 C ATOM 1622 C PRO A 106 -13.492 32.554 12.636 1.00 0.00 C ATOM 1623 O PRO A 106 -14.488 32.820 13.310 1.00 0.00 O ATOM 1624 CB PRO A 106 -11.524 32.304 14.173 1.00 0.00 C ATOM 1625 CG PRO A 106 -10.354 32.769 13.376 1.00 0.00 C ATOM 1626 CD PRO A 106 -10.150 31.738 12.300 1.00 0.00 C ATOM 0 HA PRO A 106 -12.983 30.756 13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.038 33.141 14.646 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.216 31.627 14.970 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.542 33.752 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.467 32.860 14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.771 32.186 11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.431 30.977 12.604 1.00 0.00 H new ATOM 1634 N SER A 107 -13.275 33.069 11.430 1.00 0.00 N ATOM 1635 CA SER A 107 -14.215 34.000 10.817 1.00 0.00 C ATOM 1636 C SER A 107 -15.565 33.330 10.576 1.00 0.00 C ATOM 1637 O SER A 107 -16.591 33.773 11.091 1.00 0.00 O ATOM 1638 CB SER A 107 -13.653 34.529 9.496 1.00 0.00 C ATOM 1639 OG SER A 107 -12.765 35.612 9.717 1.00 0.00 O ATOM 0 H SER A 107 -12.457 32.857 10.858 1.00 0.00 H new ATOM 0 HA SER A 107 -14.360 34.835 11.503 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.131 33.728 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 107 -14.471 34.851 8.852 1.00 0.00 H new ATOM 0 HG SER A 107 -12.418 35.931 8.858 1.00 0.00 H new ATOM 1645 N SER A 108 -15.555 32.260 9.788 1.00 0.00 N ATOM 1646 CA SER A 108 -16.777 31.530 9.474 1.00 0.00 C ATOM 1647 C SER A 108 -17.199 30.648 10.646 1.00 0.00 C ATOM 1648 O SER A 108 -18.370 30.613 11.021 1.00 0.00 O ATOM 1649 CB SER A 108 -16.578 30.674 8.222 1.00 0.00 C ATOM 1650 OG SER A 108 -15.514 29.754 8.397 1.00 0.00 O ATOM 0 H SER A 108 -14.714 31.879 9.355 1.00 0.00 H new ATOM 0 HA SER A 108 -17.567 32.257 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 108 -17.497 30.133 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.370 31.317 7.367 1.00 0.00 H new ATOM 0 HG SER A 108 -15.408 29.218 7.584 1.00 0.00 H new ATOM 1656 N GLY A 109 -16.234 29.936 11.220 1.00 0.00 N ATOM 1657 CA GLY A 109 -16.524 29.064 12.343 1.00 0.00 C ATOM 1658 C GLY A 109 -15.878 27.700 12.199 1.00 0.00 C ATOM 1659 O GLY A 109 -16.346 26.862 11.429 1.00 0.00 O ATOM 0 H GLY A 109 -15.257 29.948 10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -16.175 29.533 13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -17.603 28.944 12.436 1.00 0.00 H new TER 1663 GLY A 109