USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 30 GLN :FLIP amide:sc= 0.499 F(o=0.055,f=1.1) USER MOD Set 1.2: A 31 ASN :FLIP amide:sc= 0.581 F(o=0.055,f=1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -165:sc= -1.08 (180deg=-1.39) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.43) USER MOD Single : A 28 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -70:sc= 1.16 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.945 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.85) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 74 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.143 15.724 -0.742 1.00 0.00 N ATOM 67 CA SER A 8 5.273 14.847 0.034 1.00 0.00 C ATOM 68 C SER A 8 4.293 14.111 -0.876 1.00 0.00 C ATOM 69 O SER A 8 4.240 12.881 -0.882 1.00 0.00 O ATOM 70 CB SER A 8 4.505 15.653 1.084 1.00 0.00 C ATOM 71 OG SER A 8 5.347 16.014 2.165 1.00 0.00 O ATOM 0 HA SER A 8 5.898 14.110 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.090 16.551 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.664 15.066 1.454 1.00 0.00 H new ATOM 0 HG SER A 8 4.834 16.530 2.822 1.00 0.00 H new ATOM 77 N ILE A 9 3.520 14.874 -1.641 1.00 0.00 N ATOM 78 CA ILE A 9 2.542 14.296 -2.555 1.00 0.00 C ATOM 79 C ILE A 9 3.155 13.161 -3.369 1.00 0.00 C ATOM 80 O ILE A 9 2.663 12.032 -3.349 1.00 0.00 O ATOM 81 CB ILE A 9 1.976 15.355 -3.518 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.342 16.504 -2.732 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.961 14.726 -4.460 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.326 17.292 -3.528 1.00 0.00 C ATOM 0 H ILE A 9 3.552 15.893 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 9 1.730 13.904 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 9 2.795 15.757 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.860 16.102 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.128 17.179 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.570 15.488 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.442 13.939 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.142 14.300 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.082 18.090 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.807 17.724 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.480 16.630 -3.845 1.00 0.00 H new ATOM 96 N LEU A 10 4.233 13.466 -4.081 1.00 0.00 N ATOM 97 CA LEU A 10 4.916 12.471 -4.901 1.00 0.00 C ATOM 98 C LEU A 10 5.212 11.211 -4.094 1.00 0.00 C ATOM 99 O LEU A 10 4.817 10.109 -4.474 1.00 0.00 O ATOM 100 CB LEU A 10 6.216 13.048 -5.462 1.00 0.00 C ATOM 101 CG LEU A 10 6.082 13.902 -6.725 1.00 0.00 C ATOM 102 CD1 LEU A 10 7.384 14.632 -7.016 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.676 13.038 -7.911 1.00 0.00 C ATOM 0 H LEU A 10 4.654 14.395 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 10 4.258 12.205 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.686 13.653 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.894 12.222 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 10 5.302 14.645 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.270 15.234 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.633 15.280 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.183 13.906 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.585 13.661 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.433 12.273 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.718 12.561 -7.703 1.00 0.00 H new ATOM 115 N LYS A 11 5.910 11.381 -2.976 1.00 0.00 N ATOM 116 CA LYS A 11 6.258 10.260 -2.111 1.00 0.00 C ATOM 117 C LYS A 11 5.053 9.350 -1.891 1.00 0.00 C ATOM 118 O LYS A 11 5.111 8.151 -2.165 1.00 0.00 O ATOM 119 CB LYS A 11 6.780 10.769 -0.766 1.00 0.00 C ATOM 120 CG LYS A 11 8.236 11.195 -0.801 1.00 0.00 C ATOM 121 CD LYS A 11 8.658 11.848 0.505 1.00 0.00 C ATOM 122 CE LYS A 11 9.155 10.818 1.507 1.00 0.00 C ATOM 123 NZ LYS A 11 10.547 10.382 1.211 1.00 0.00 N ATOM 0 H LYS A 11 6.246 12.286 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 11 7.042 9.684 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.171 11.614 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.657 9.986 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.866 10.326 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.392 11.892 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.444 12.578 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.815 12.393 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.112 11.239 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.493 9.952 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.848 9.680 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.583 9.957 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.183 11.204 1.247 1.00 0.00 H new ATOM 137 N ILE A 12 3.964 9.928 -1.396 1.00 0.00 N ATOM 138 CA ILE A 12 2.745 9.169 -1.141 1.00 0.00 C ATOM 139 C ILE A 12 2.224 8.521 -2.419 1.00 0.00 C ATOM 140 O ILE A 12 1.786 7.372 -2.410 1.00 0.00 O ATOM 141 CB ILE A 12 1.641 10.061 -0.544 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.167 10.808 0.684 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.424 9.224 -0.181 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.507 12.150 0.902 1.00 0.00 C ATOM 0 H ILE A 12 3.900 10.919 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 12 3.002 8.392 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 12 1.343 10.796 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.015 10.189 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.242 10.954 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.348 9.868 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.040 8.734 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.707 8.470 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.928 12.623 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.681 12.786 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.435 12.010 1.040 1.00 0.00 H new ATOM 156 N GLU A 13 2.277 9.267 -3.519 1.00 0.00 N ATOM 157 CA GLU A 13 1.811 8.764 -4.806 1.00 0.00 C ATOM 158 C GLU A 13 2.492 7.444 -5.154 1.00 0.00 C ATOM 159 O GLU A 13 1.843 6.493 -5.589 1.00 0.00 O ATOM 160 CB GLU A 13 2.075 9.793 -5.907 1.00 0.00 C ATOM 161 CG GLU A 13 0.933 10.773 -6.112 1.00 0.00 C ATOM 162 CD GLU A 13 -0.391 10.080 -6.372 1.00 0.00 C ATOM 163 OE1 GLU A 13 -0.398 9.079 -7.119 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.418 10.538 -5.829 1.00 0.00 O ATOM 0 H GLU A 13 2.638 10.221 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 13 0.738 8.590 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.980 10.349 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.265 9.269 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.840 11.407 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.167 11.428 -6.951 1.00 0.00 H new ATOM 171 N LYS A 14 3.805 7.394 -4.957 1.00 0.00 N ATOM 172 CA LYS A 14 4.577 6.191 -5.248 1.00 0.00 C ATOM 173 C LYS A 14 3.983 4.978 -4.538 1.00 0.00 C ATOM 174 O LYS A 14 3.805 3.919 -5.140 1.00 0.00 O ATOM 175 CB LYS A 14 6.035 6.381 -4.824 1.00 0.00 C ATOM 176 CG LYS A 14 6.801 7.355 -5.701 1.00 0.00 C ATOM 177 CD LYS A 14 8.234 7.528 -5.223 1.00 0.00 C ATOM 178 CE LYS A 14 9.119 8.112 -6.314 1.00 0.00 C ATOM 179 NZ LYS A 14 10.337 8.759 -5.751 1.00 0.00 N ATOM 0 H LYS A 14 4.357 8.172 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 14 4.538 6.015 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.062 6.735 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.539 5.415 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.801 6.997 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.297 8.321 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.251 8.181 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.632 6.564 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.413 7.322 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.552 8.844 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.914 9.145 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.057 9.529 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.891 8.055 -5.223 1.00 0.00 H new ATOM 193 N VAL A 15 3.678 5.141 -3.255 1.00 0.00 N ATOM 194 CA VAL A 15 3.102 4.060 -2.464 1.00 0.00 C ATOM 195 C VAL A 15 1.832 3.519 -3.113 1.00 0.00 C ATOM 196 O VAL A 15 1.761 2.347 -3.483 1.00 0.00 O ATOM 197 CB VAL A 15 2.775 4.526 -1.032 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.264 3.362 -0.195 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.996 5.161 -0.387 1.00 0.00 C ATOM 0 H VAL A 15 3.820 6.011 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 15 3.849 3.268 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 15 1.988 5.278 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.038 3.710 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.360 2.956 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.027 2.585 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.747 5.484 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.806 4.433 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.312 6.022 -0.976 1.00 0.00 H new ATOM 209 N LEU A 16 0.831 4.382 -3.249 1.00 0.00 N ATOM 210 CA LEU A 16 -0.438 3.992 -3.855 1.00 0.00 C ATOM 211 C LEU A 16 -0.224 3.452 -5.265 1.00 0.00 C ATOM 212 O LEU A 16 -0.597 2.318 -5.571 1.00 0.00 O ATOM 213 CB LEU A 16 -1.395 5.184 -3.894 1.00 0.00 C ATOM 214 CG LEU A 16 -1.984 5.616 -2.550 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.532 7.031 -2.637 1.00 0.00 C ATOM 216 CD2 LEU A 16 -3.071 4.648 -2.108 1.00 0.00 C ATOM 0 H LEU A 16 0.873 5.356 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.876 3.202 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.867 6.034 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.217 4.942 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.188 5.602 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.947 7.321 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.729 7.716 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.314 7.072 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.478 4.971 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.866 4.629 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.648 3.649 -2.004 1.00 0.00 H new ATOM 228 N LYS A 17 0.381 4.268 -6.122 1.00 0.00 N ATOM 229 CA LYS A 17 0.648 3.872 -7.498 1.00 0.00 C ATOM 230 C LYS A 17 0.973 2.384 -7.583 1.00 0.00 C ATOM 231 O LYS A 17 0.216 1.607 -8.165 1.00 0.00 O ATOM 232 CB LYS A 17 1.807 4.691 -8.071 1.00 0.00 C ATOM 233 CG LYS A 17 1.391 6.060 -8.582 1.00 0.00 C ATOM 234 CD LYS A 17 2.284 6.524 -9.721 1.00 0.00 C ATOM 235 CE LYS A 17 2.365 8.042 -9.780 1.00 0.00 C ATOM 236 NZ LYS A 17 3.412 8.504 -10.734 1.00 0.00 N ATOM 0 H LYS A 17 0.696 5.209 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.250 4.064 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.568 4.816 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.267 4.133 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.356 6.024 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.434 6.782 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.284 6.110 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.899 6.142 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.398 8.446 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.581 8.433 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.436 9.544 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.339 8.139 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.192 8.152 -11.688 1.00 0.00 H new ATOM 250 N ARG A 18 2.102 1.995 -7.000 1.00 0.00 N ATOM 251 CA ARG A 18 2.526 0.600 -7.010 1.00 0.00 C ATOM 252 C ARG A 18 1.454 -0.298 -6.397 1.00 0.00 C ATOM 253 O ARG A 18 1.136 -1.357 -6.936 1.00 0.00 O ATOM 254 CB ARG A 18 3.841 0.438 -6.244 1.00 0.00 C ATOM 255 CG ARG A 18 4.411 -0.969 -6.303 1.00 0.00 C ATOM 256 CD ARG A 18 5.059 -1.251 -7.650 1.00 0.00 C ATOM 257 NE ARG A 18 6.410 -0.703 -7.732 1.00 0.00 N ATOM 258 CZ ARG A 18 7.025 -0.434 -8.879 1.00 0.00 C ATOM 259 NH1 ARG A 18 6.413 -0.661 -10.033 1.00 0.00 N ATOM 260 NH2 ARG A 18 8.255 0.064 -8.872 1.00 0.00 N ATOM 0 H ARG A 18 2.740 2.626 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 18 2.678 0.300 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.575 1.135 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.680 0.712 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.147 -1.098 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.616 -1.693 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.094 -2.327 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.446 -0.824 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 18 6.909 -0.517 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.467 -1.043 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.888 -0.453 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.729 0.240 -7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.727 0.270 -9.753 1.00 0.00 H new ATOM 274 N MET A 19 0.903 0.133 -5.267 1.00 0.00 N ATOM 275 CA MET A 19 -0.132 -0.631 -4.582 1.00 0.00 C ATOM 276 C MET A 19 -1.245 -1.027 -5.548 1.00 0.00 C ATOM 277 O MET A 19 -1.690 -2.175 -5.560 1.00 0.00 O ATOM 278 CB MET A 19 -0.711 0.179 -3.422 1.00 0.00 C ATOM 279 CG MET A 19 -1.770 -0.568 -2.627 1.00 0.00 C ATOM 280 SD MET A 19 -3.431 -0.335 -3.291 1.00 0.00 S ATOM 281 CE MET A 19 -3.676 1.413 -2.983 1.00 0.00 C ATOM 0 H MET A 19 1.156 1.007 -4.807 1.00 0.00 H new ATOM 0 HA MET A 19 0.323 -1.540 -4.188 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.099 0.467 -2.752 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.144 1.100 -3.813 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.531 -1.632 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.746 -0.230 -1.591 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.734 1.656 -3.087 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.346 1.654 -1.973 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.098 1.994 -3.702 1.00 0.00 H new ATOM 291 N ARG A 20 -1.689 -0.069 -6.355 1.00 0.00 N ATOM 292 CA ARG A 20 -2.751 -0.318 -7.322 1.00 0.00 C ATOM 293 C ARG A 20 -2.402 -1.503 -8.220 1.00 0.00 C ATOM 294 O ARG A 20 -3.220 -2.400 -8.423 1.00 0.00 O ATOM 295 CB ARG A 20 -2.994 0.928 -8.177 1.00 0.00 C ATOM 296 CG ARG A 20 -3.951 1.925 -7.541 1.00 0.00 C ATOM 297 CD ARG A 20 -5.397 1.604 -7.884 1.00 0.00 C ATOM 298 NE ARG A 20 -6.332 2.260 -6.975 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.677 1.764 -5.791 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.166 0.613 -5.377 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.535 2.419 -5.021 1.00 0.00 N ATOM 0 H ARG A 20 -1.330 0.886 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.661 -0.556 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.040 1.421 -8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.391 0.623 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.822 1.916 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.710 2.932 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.605 1.917 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.548 0.525 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.743 3.148 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.507 0.106 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.432 0.234 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.931 3.304 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.799 2.038 -4.113 1.00 0.00 H new ATOM 315 N GLU A 21 -1.185 -1.497 -8.753 1.00 0.00 N ATOM 316 CA GLU A 21 -0.731 -2.570 -9.629 1.00 0.00 C ATOM 317 C GLU A 21 -0.738 -3.909 -8.897 1.00 0.00 C ATOM 318 O GLU A 21 -1.398 -4.857 -9.323 1.00 0.00 O ATOM 319 CB GLU A 21 0.675 -2.270 -10.153 1.00 0.00 C ATOM 320 CG GLU A 21 0.703 -1.232 -11.263 1.00 0.00 C ATOM 321 CD GLU A 21 0.720 0.189 -10.733 1.00 0.00 C ATOM 322 OE1 GLU A 21 1.790 0.636 -10.271 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.337 0.853 -10.780 1.00 0.00 O ATOM 0 H GLU A 21 -0.496 -0.762 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.419 -2.632 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.295 -1.923 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.122 -3.194 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.583 -1.394 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.169 -1.367 -11.903 1.00 0.00 H new ATOM 330 N ILE A 22 0.002 -3.979 -7.795 1.00 0.00 N ATOM 331 CA ILE A 22 0.081 -5.200 -7.004 1.00 0.00 C ATOM 332 C ILE A 22 -1.310 -5.709 -6.640 1.00 0.00 C ATOM 333 O ILE A 22 -1.477 -6.863 -6.242 1.00 0.00 O ATOM 334 CB ILE A 22 0.891 -4.983 -5.713 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.294 -4.473 -6.045 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.967 -6.275 -4.912 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.987 -3.805 -4.877 1.00 0.00 C ATOM 0 H ILE A 22 0.555 -3.204 -7.430 1.00 0.00 H new ATOM 0 HA ILE A 22 0.588 -5.943 -7.619 1.00 0.00 H new ATOM 0 HB ILE A 22 0.386 -4.231 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.904 -5.309 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.228 -3.765 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.543 -6.106 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.040 -6.600 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.452 -7.046 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.977 -3.468 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.399 -2.949 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.085 -4.516 -4.057 1.00 0.00 H new ATOM 349 N LYS A 23 -2.307 -4.842 -6.778 1.00 0.00 N ATOM 350 CA LYS A 23 -3.685 -5.203 -6.467 1.00 0.00 C ATOM 351 C LYS A 23 -4.348 -5.892 -7.654 1.00 0.00 C ATOM 352 O LYS A 23 -4.891 -6.989 -7.524 1.00 0.00 O ATOM 353 CB LYS A 23 -4.483 -3.959 -6.075 1.00 0.00 C ATOM 354 CG LYS A 23 -5.884 -4.267 -5.573 1.00 0.00 C ATOM 355 CD LYS A 23 -6.477 -3.090 -4.818 1.00 0.00 C ATOM 356 CE LYS A 23 -7.735 -3.490 -4.062 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.669 -2.343 -3.892 1.00 0.00 N ATOM 0 H LYS A 23 -2.186 -3.883 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.672 -5.898 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.939 -3.418 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.553 -3.296 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.526 -4.520 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.854 -5.140 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.740 -2.697 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.711 -2.288 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.240 -4.293 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.461 -3.883 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.513 -2.657 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.196 -1.586 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.951 -1.984 -4.826 1.00 0.00 H new ATOM 371 N ASN A 24 -4.300 -5.242 -8.813 1.00 0.00 N ATOM 372 CA ASN A 24 -4.896 -5.793 -10.025 1.00 0.00 C ATOM 373 C ASN A 24 -4.193 -7.083 -10.438 1.00 0.00 C ATOM 374 O ASN A 24 -4.802 -7.968 -11.037 1.00 0.00 O ATOM 375 CB ASN A 24 -4.826 -4.774 -11.162 1.00 0.00 C ATOM 376 CG ASN A 24 -5.891 -5.009 -12.217 1.00 0.00 C ATOM 377 OD1 ASN A 24 -7.057 -5.237 -11.897 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.491 -4.956 -13.483 1.00 0.00 N ATOM 0 H ASN A 24 -3.854 -4.333 -8.938 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.941 -6.020 -9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.939 -3.770 -10.753 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.841 -4.820 -11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.162 -5.108 -14.236 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.513 -4.764 -13.701 1.00 0.00 H new ATOM 385 N GLU A 25 -2.907 -7.179 -10.116 1.00 0.00 N ATOM 386 CA GLU A 25 -2.121 -8.360 -10.454 1.00 0.00 C ATOM 387 C GLU A 25 -2.544 -9.556 -9.607 1.00 0.00 C ATOM 388 O GLU A 25 -2.655 -10.677 -10.106 1.00 0.00 O ATOM 389 CB GLU A 25 -0.629 -8.082 -10.256 1.00 0.00 C ATOM 390 CG GLU A 25 -0.175 -8.203 -8.811 1.00 0.00 C ATOM 391 CD GLU A 25 1.320 -8.007 -8.651 1.00 0.00 C ATOM 392 OE1 GLU A 25 1.888 -7.163 -9.376 1.00 0.00 O ATOM 393 OE2 GLU A 25 1.922 -8.696 -7.802 1.00 0.00 O ATOM 0 H GLU A 25 -2.387 -6.454 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.302 -8.597 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.054 -8.777 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.404 -7.078 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.701 -7.465 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.452 -9.185 -8.428 1.00 0.00 H new ATOM 400 N LEU A 26 -2.777 -9.311 -8.322 1.00 0.00 N ATOM 401 CA LEU A 26 -3.187 -10.367 -7.404 1.00 0.00 C ATOM 402 C LEU A 26 -4.598 -10.850 -7.725 1.00 0.00 C ATOM 403 O LEU A 26 -4.889 -12.044 -7.646 1.00 0.00 O ATOM 404 CB LEU A 26 -3.123 -9.868 -5.960 1.00 0.00 C ATOM 405 CG LEU A 26 -3.997 -10.615 -4.951 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.425 -11.995 -4.669 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.128 -9.815 -3.664 1.00 0.00 C ATOM 0 H LEU A 26 -2.689 -8.390 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.500 -11.205 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.088 -9.922 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.407 -8.816 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.991 -10.738 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.060 -12.512 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.385 -12.569 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.419 -11.895 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.753 -10.362 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.140 -9.660 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.585 -8.849 -3.881 1.00 0.00 H new ATOM 419 N LEU A 27 -5.469 -9.916 -8.088 1.00 0.00 N ATOM 420 CA LEU A 27 -6.850 -10.247 -8.424 1.00 0.00 C ATOM 421 C LEU A 27 -6.915 -11.089 -9.694 1.00 0.00 C ATOM 422 O LEU A 27 -7.615 -12.100 -9.743 1.00 0.00 O ATOM 423 CB LEU A 27 -7.672 -8.969 -8.604 1.00 0.00 C ATOM 424 CG LEU A 27 -7.913 -8.143 -7.339 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.486 -6.779 -7.693 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.843 -8.883 -6.388 1.00 0.00 C ATOM 0 H LEU A 27 -5.244 -8.923 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.268 -10.829 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.169 -8.337 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.639 -9.239 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.957 -7.994 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.651 -6.206 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.785 -6.246 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.433 -6.907 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.003 -8.281 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.799 -9.063 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.394 -9.836 -6.108 1.00 0.00 H new ATOM 438 N GLN A 28 -6.180 -10.666 -10.717 1.00 0.00 N ATOM 439 CA GLN A 28 -6.154 -11.383 -11.986 1.00 0.00 C ATOM 440 C GLN A 28 -5.437 -12.722 -11.841 1.00 0.00 C ATOM 441 O GLN A 28 -5.964 -13.764 -12.225 1.00 0.00 O ATOM 442 CB GLN A 28 -5.467 -10.537 -13.059 1.00 0.00 C ATOM 443 CG GLN A 28 -6.286 -9.337 -13.504 1.00 0.00 C ATOM 444 CD GLN A 28 -7.583 -9.733 -14.182 1.00 0.00 C ATOM 445 OE1 GLN A 28 -7.737 -10.867 -14.637 1.00 0.00 O ATOM 446 NE2 GLN A 28 -8.524 -8.800 -14.251 1.00 0.00 N ATOM 0 H GLN A 28 -5.595 -9.831 -10.692 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.184 -11.574 -12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.507 -10.190 -12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.257 -11.164 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.509 -8.713 -12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.693 -8.731 -14.189 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.353 -7.873 -13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.418 -9.009 -14.695 1.00 0.00 H new ATOM 455 N ALA A 29 -4.230 -12.683 -11.283 1.00 0.00 N ATOM 456 CA ALA A 29 -3.442 -13.893 -11.085 1.00 0.00 C ATOM 457 C ALA A 29 -4.335 -15.079 -10.737 1.00 0.00 C ATOM 458 O ALA A 29 -5.390 -14.915 -10.126 1.00 0.00 O ATOM 459 CB ALA A 29 -2.404 -13.674 -9.996 1.00 0.00 C ATOM 0 H ALA A 29 -3.778 -11.827 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.929 -14.120 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.823 -14.586 -9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.739 -12.860 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.905 -13.419 -9.062 1.00 0.00 H new ATOM 465 N GLN A 30 -3.904 -16.273 -11.131 1.00 0.00 N ATOM 466 CA GLN A 30 -4.666 -17.487 -10.861 1.00 0.00 C ATOM 467 C GLN A 30 -4.186 -18.157 -9.578 1.00 0.00 C ATOM 468 O GLN A 30 -4.973 -18.410 -8.667 1.00 0.00 O ATOM 469 CB GLN A 30 -4.547 -18.461 -12.035 1.00 0.00 C ATOM 470 CG GLN A 30 -5.764 -19.355 -12.209 1.00 0.00 C ATOM 471 CD GLN A 30 -5.433 -20.666 -12.894 1.00 0.00 C ATOM 472 OE1 GLN A 30 -6.160 -20.977 -13.961 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 -4.533 -21.391 -12.470 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.032 -16.426 -11.638 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.712 -17.208 -10.734 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.389 -17.894 -12.952 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.665 -19.085 -11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.202 -19.560 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.518 -18.826 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.999 -21.113 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.321 -22.270 -12.942 1.00 0.00 H new ATOM 482 N ASN A 31 -2.889 -18.442 -9.514 1.00 0.00 N ATOM 483 CA ASN A 31 -2.304 -19.084 -8.343 1.00 0.00 C ATOM 484 C ASN A 31 -1.373 -18.126 -7.606 1.00 0.00 C ATOM 485 O ASN A 31 -0.150 -18.252 -7.653 1.00 0.00 O ATOM 486 CB ASN A 31 -1.538 -20.343 -8.754 1.00 0.00 C ATOM 487 CG ASN A 31 -2.428 -21.362 -9.442 1.00 0.00 C ATOM 488 OD1 ASN A 31 -2.291 -21.473 -10.757 1.00 0.00 O flip ATOM 489 ND2 ASN A 31 -3.226 -22.041 -8.796 1.00 0.00 N flip ATOM 0 H ASN A 31 -2.224 -18.238 -10.260 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.115 -19.364 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.722 -20.067 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.087 -20.796 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.297 -21.921 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.816 -22.724 -9.271 1.00 0.00 H new ATOM 496 N PRO A 32 -1.965 -17.146 -6.907 1.00 0.00 N ATOM 497 CA PRO A 32 -1.208 -16.149 -6.145 1.00 0.00 C ATOM 498 C PRO A 32 -0.530 -16.749 -4.918 1.00 0.00 C ATOM 499 O PRO A 32 0.131 -16.044 -4.156 1.00 0.00 O ATOM 500 CB PRO A 32 -2.277 -15.137 -5.725 1.00 0.00 C ATOM 501 CG PRO A 32 -3.549 -15.912 -5.713 1.00 0.00 C ATOM 502 CD PRO A 32 -3.419 -16.937 -6.806 1.00 0.00 C ATOM 0 HA PRO A 32 -0.399 -15.715 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.060 -14.717 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.329 -14.302 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.706 -16.390 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.405 -15.260 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.941 -17.860 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.840 -16.578 -7.745 1.00 0.00 H new ATOM 510 N SER A 33 -0.699 -18.053 -4.732 1.00 0.00 N ATOM 511 CA SER A 33 -0.107 -18.748 -3.596 1.00 0.00 C ATOM 512 C SER A 33 1.251 -18.150 -3.242 1.00 0.00 C ATOM 513 O SER A 33 1.479 -17.724 -2.111 1.00 0.00 O ATOM 514 CB SER A 33 0.044 -20.239 -3.903 1.00 0.00 C ATOM 515 OG SER A 33 -1.149 -20.944 -3.606 1.00 0.00 O ATOM 0 H SER A 33 -1.242 -18.651 -5.355 1.00 0.00 H new ATOM 0 HA SER A 33 -0.773 -18.627 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.297 -20.373 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.868 -20.652 -3.321 1.00 0.00 H new ATOM 0 HG SER A 33 -1.027 -21.894 -3.812 1.00 0.00 H new ATOM 521 N GLU A 34 2.152 -18.122 -4.220 1.00 0.00 N ATOM 522 CA GLU A 34 3.489 -17.578 -4.012 1.00 0.00 C ATOM 523 C GLU A 34 3.440 -16.060 -3.864 1.00 0.00 C ATOM 524 O GLU A 34 4.166 -15.480 -3.056 1.00 0.00 O ATOM 525 CB GLU A 34 4.405 -17.959 -5.176 1.00 0.00 C ATOM 526 CG GLU A 34 4.965 -19.368 -5.075 1.00 0.00 C ATOM 527 CD GLU A 34 5.941 -19.526 -3.926 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.483 -19.703 -2.777 1.00 0.00 O ATOM 529 OE2 GLU A 34 7.164 -19.474 -4.175 1.00 0.00 O ATOM 0 H GLU A 34 1.980 -18.470 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 34 3.888 -18.003 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.851 -17.864 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.232 -17.251 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.144 -20.073 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.465 -19.624 -6.009 1.00 0.00 H new ATOM 536 N LEU A 35 2.580 -15.421 -4.649 1.00 0.00 N ATOM 537 CA LEU A 35 2.436 -13.971 -4.607 1.00 0.00 C ATOM 538 C LEU A 35 2.199 -13.488 -3.180 1.00 0.00 C ATOM 539 O LEU A 35 2.785 -12.497 -2.744 1.00 0.00 O ATOM 540 CB LEU A 35 1.281 -13.527 -5.507 1.00 0.00 C ATOM 541 CG LEU A 35 1.577 -13.479 -7.006 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.370 -12.964 -7.773 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.797 -12.610 -7.282 1.00 0.00 C ATOM 0 H LEU A 35 1.971 -15.885 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 35 3.363 -13.528 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.441 -14.202 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.960 -12.535 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 35 1.792 -14.492 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.600 -12.937 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.479 -13.626 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.122 -11.960 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.993 -12.588 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.610 -11.597 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.663 -13.023 -6.764 1.00 0.00 H new ATOM 555 N TYR A 36 1.338 -14.196 -2.458 1.00 0.00 N ATOM 556 CA TYR A 36 1.023 -13.840 -1.079 1.00 0.00 C ATOM 557 C TYR A 36 2.265 -13.336 -0.350 1.00 0.00 C ATOM 558 O TYR A 36 2.212 -12.344 0.378 1.00 0.00 O ATOM 559 CB TYR A 36 0.438 -15.045 -0.340 1.00 0.00 C ATOM 560 CG TYR A 36 -0.879 -15.522 -0.909 1.00 0.00 C ATOM 561 CD1 TYR A 36 -1.855 -14.618 -1.308 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.148 -16.879 -1.047 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.060 -15.050 -1.827 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.349 -17.320 -1.567 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.302 -16.402 -1.955 1.00 0.00 C ATOM 566 OH TYR A 36 -4.501 -16.836 -2.472 1.00 0.00 O ATOM 0 H TYR A 36 0.846 -15.020 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 36 0.284 -13.039 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.156 -15.864 -0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.298 -14.785 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.669 -13.559 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.405 -17.601 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.809 -14.333 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.541 -18.378 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.511 -17.816 -2.496 1.00 0.00 H new ATOM 576 N LEU A 37 3.382 -14.026 -0.550 1.00 0.00 N ATOM 577 CA LEU A 37 4.639 -13.649 0.087 1.00 0.00 C ATOM 578 C LEU A 37 5.192 -12.362 -0.517 1.00 0.00 C ATOM 579 O LEU A 37 5.434 -11.386 0.192 1.00 0.00 O ATOM 580 CB LEU A 37 5.664 -14.775 -0.057 1.00 0.00 C ATOM 581 CG LEU A 37 7.119 -14.400 0.229 1.00 0.00 C ATOM 582 CD1 LEU A 37 7.358 -14.295 1.727 1.00 0.00 C ATOM 583 CD2 LEU A 37 8.065 -15.415 -0.396 1.00 0.00 C ATOM 0 H LEU A 37 3.443 -14.850 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 37 4.444 -13.477 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.380 -15.585 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.604 -15.166 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 37 7.318 -13.426 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.398 -14.027 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.706 -13.529 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.141 -15.254 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.096 -15.132 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.866 -16.402 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.912 -15.439 -1.475 1.00 0.00 H new ATOM 595 N SER A 38 5.385 -12.368 -1.832 1.00 0.00 N ATOM 596 CA SER A 38 5.911 -11.202 -2.532 1.00 0.00 C ATOM 597 C SER A 38 5.037 -9.977 -2.278 1.00 0.00 C ATOM 598 O SER A 38 5.468 -9.015 -1.642 1.00 0.00 O ATOM 599 CB SER A 38 5.998 -11.478 -4.034 1.00 0.00 C ATOM 600 OG SER A 38 7.133 -12.267 -4.343 1.00 0.00 O ATOM 0 H SER A 38 5.185 -13.167 -2.434 1.00 0.00 H new ATOM 0 HA SER A 38 6.911 -11.000 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.094 -11.990 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.048 -10.535 -4.578 1.00 0.00 H new ATOM 0 HG SER A 38 7.165 -12.431 -5.309 1.00 0.00 H new ATOM 606 N SER A 39 3.808 -10.020 -2.780 1.00 0.00 N ATOM 607 CA SER A 39 2.873 -8.914 -2.613 1.00 0.00 C ATOM 608 C SER A 39 3.027 -8.277 -1.235 1.00 0.00 C ATOM 609 O SER A 39 3.223 -7.067 -1.115 1.00 0.00 O ATOM 610 CB SER A 39 1.436 -9.398 -2.805 1.00 0.00 C ATOM 611 OG SER A 39 1.143 -10.485 -1.943 1.00 0.00 O ATOM 0 H SER A 39 3.436 -10.810 -3.307 1.00 0.00 H new ATOM 0 HA SER A 39 3.099 -8.163 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.744 -8.579 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.287 -9.701 -3.841 1.00 0.00 H new ATOM 0 HG SER A 39 1.634 -11.279 -2.240 1.00 0.00 H new ATOM 617 N LYS A 40 2.937 -9.100 -0.196 1.00 0.00 N ATOM 618 CA LYS A 40 3.068 -8.622 1.175 1.00 0.00 C ATOM 619 C LYS A 40 4.400 -7.907 1.377 1.00 0.00 C ATOM 620 O LYS A 40 4.437 -6.722 1.709 1.00 0.00 O ATOM 621 CB LYS A 40 2.948 -9.789 2.158 1.00 0.00 C ATOM 622 CG LYS A 40 2.542 -9.364 3.559 1.00 0.00 C ATOM 623 CD LYS A 40 1.755 -10.456 4.266 1.00 0.00 C ATOM 624 CE LYS A 40 1.934 -10.381 5.775 1.00 0.00 C ATOM 625 NZ LYS A 40 1.605 -11.675 6.436 1.00 0.00 N ATOM 0 H LYS A 40 2.773 -10.103 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 40 2.263 -7.912 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.216 -10.501 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.904 -10.311 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.432 -9.122 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.940 -8.457 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.698 -10.363 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.082 -11.432 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.963 -10.106 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.296 -9.594 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.739 -11.584 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.615 -11.925 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.231 -12.421 6.070 1.00 0.00 H new ATOM 639 N THR A 41 5.494 -8.635 1.174 1.00 0.00 N ATOM 640 CA THR A 41 6.828 -8.070 1.333 1.00 0.00 C ATOM 641 C THR A 41 6.924 -6.693 0.687 1.00 0.00 C ATOM 642 O THR A 41 7.189 -5.699 1.362 1.00 0.00 O ATOM 643 CB THR A 41 7.903 -8.988 0.721 1.00 0.00 C ATOM 644 OG1 THR A 41 7.805 -10.301 1.284 1.00 0.00 O ATOM 645 CG2 THR A 41 9.297 -8.428 0.967 1.00 0.00 C ATOM 0 H THR A 41 5.482 -9.617 0.899 1.00 0.00 H new ATOM 0 HA THR A 41 7.006 -7.978 2.404 1.00 0.00 H new ATOM 0 HB THR A 41 7.734 -9.041 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.042 -10.771 0.888 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.039 -9.093 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.378 -7.441 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.473 -8.348 2.040 1.00 0.00 H new ATOM 653 N GLU A 42 6.705 -6.643 -0.623 1.00 0.00 N ATOM 654 CA GLU A 42 6.766 -5.386 -1.359 1.00 0.00 C ATOM 655 C GLU A 42 5.855 -4.339 -0.726 1.00 0.00 C ATOM 656 O GLU A 42 6.318 -3.303 -0.246 1.00 0.00 O ATOM 657 CB GLU A 42 6.371 -5.605 -2.821 1.00 0.00 C ATOM 658 CG GLU A 42 6.923 -4.551 -3.766 1.00 0.00 C ATOM 659 CD GLU A 42 8.396 -4.749 -4.065 1.00 0.00 C ATOM 660 OE1 GLU A 42 9.144 -5.132 -3.142 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.800 -4.521 -5.225 1.00 0.00 O ATOM 0 H GLU A 42 6.484 -7.457 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 42 7.792 -5.021 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.722 -6.586 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.284 -5.615 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.360 -4.575 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.774 -3.563 -3.329 1.00 0.00 H new ATOM 668 N LEU A 43 4.555 -4.615 -0.729 1.00 0.00 N ATOM 669 CA LEU A 43 3.576 -3.698 -0.156 1.00 0.00 C ATOM 670 C LEU A 43 4.102 -3.079 1.135 1.00 0.00 C ATOM 671 O LEU A 43 4.234 -1.859 1.240 1.00 0.00 O ATOM 672 CB LEU A 43 2.261 -4.429 0.115 1.00 0.00 C ATOM 673 CG LEU A 43 1.309 -4.563 -1.075 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.287 -5.660 -0.821 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.614 -3.238 -1.354 1.00 0.00 C ATOM 0 H LEU A 43 4.155 -5.467 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 43 3.398 -2.899 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.493 -5.428 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.737 -3.908 0.917 1.00 0.00 H new ATOM 0 HG LEU A 43 1.893 -4.836 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.381 -5.740 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.802 -6.609 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.293 -5.418 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.059 -3.352 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.043 -2.935 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.360 -2.477 -1.582 1.00 0.00 H new ATOM 687 N GLN A 44 4.401 -3.926 2.113 1.00 0.00 N ATOM 688 CA GLN A 44 4.914 -3.461 3.396 1.00 0.00 C ATOM 689 C GLN A 44 5.992 -2.401 3.200 1.00 0.00 C ATOM 690 O GLN A 44 5.830 -1.252 3.610 1.00 0.00 O ATOM 691 CB GLN A 44 5.477 -4.634 4.201 1.00 0.00 C ATOM 692 CG GLN A 44 4.436 -5.340 5.056 1.00 0.00 C ATOM 693 CD GLN A 44 5.057 -6.201 6.139 1.00 0.00 C ATOM 694 OE1 GLN A 44 5.873 -7.078 5.858 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.673 -5.953 7.386 1.00 0.00 N ATOM 0 H GLN A 44 4.297 -4.938 2.042 1.00 0.00 H new ATOM 0 HA GLN A 44 4.087 -3.015 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.921 -5.355 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.278 -4.271 4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.785 -4.597 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.808 -5.962 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.993 -5.216 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.058 -6.500 8.156 1.00 0.00 H new ATOM 704 N GLY A 45 7.095 -2.795 2.569 1.00 0.00 N ATOM 705 CA GLY A 45 8.184 -1.866 2.329 1.00 0.00 C ATOM 706 C GLY A 45 7.700 -0.519 1.831 1.00 0.00 C ATOM 707 O GLY A 45 8.038 0.520 2.398 1.00 0.00 O ATOM 0 H GLY A 45 7.253 -3.740 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.748 -1.727 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.869 -2.295 1.598 1.00 0.00 H new ATOM 711 N LEU A 46 6.906 -0.536 0.765 1.00 0.00 N ATOM 712 CA LEU A 46 6.374 0.693 0.188 1.00 0.00 C ATOM 713 C LEU A 46 5.757 1.579 1.266 1.00 0.00 C ATOM 714 O LEU A 46 6.165 2.726 1.449 1.00 0.00 O ATOM 715 CB LEU A 46 5.330 0.369 -0.882 1.00 0.00 C ATOM 716 CG LEU A 46 5.834 -0.406 -2.099 1.00 0.00 C ATOM 717 CD1 LEU A 46 4.686 -1.129 -2.785 1.00 0.00 C ATOM 718 CD2 LEU A 46 6.536 0.529 -3.073 1.00 0.00 C ATOM 0 H LEU A 46 6.617 -1.387 0.283 1.00 0.00 H new ATOM 0 HA LEU A 46 7.200 1.235 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.529 -0.205 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.892 1.305 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 46 6.553 -1.151 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.064 -1.675 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.227 -1.828 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.942 -0.403 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.888 -0.040 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.838 1.297 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.385 1.000 -2.577 1.00 0.00 H new ATOM 730 N ILE A 47 4.774 1.037 1.978 1.00 0.00 N ATOM 731 CA ILE A 47 4.103 1.777 3.039 1.00 0.00 C ATOM 732 C ILE A 47 5.109 2.528 3.906 1.00 0.00 C ATOM 733 O ILE A 47 4.922 3.705 4.211 1.00 0.00 O ATOM 734 CB ILE A 47 3.269 0.843 3.935 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.135 0.205 3.128 1.00 0.00 C ATOM 736 CG2 ILE A 47 2.712 1.608 5.127 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.473 -0.958 3.832 1.00 0.00 C ATOM 0 H ILE A 47 4.425 0.089 1.839 1.00 0.00 H new ATOM 0 HA ILE A 47 3.439 2.492 2.554 1.00 0.00 H new ATOM 0 HB ILE A 47 3.916 0.049 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.383 0.964 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.529 -0.137 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.125 0.933 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.535 2.019 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.077 2.420 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.680 -1.361 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.213 -1.735 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.049 -0.618 4.777 1.00 0.00 H new ATOM 749 N GLY A 48 6.177 1.840 4.297 1.00 0.00 N ATOM 750 CA GLY A 48 7.196 2.459 5.122 1.00 0.00 C ATOM 751 C GLY A 48 7.445 3.907 4.749 1.00 0.00 C ATOM 752 O GLY A 48 7.773 4.727 5.605 1.00 0.00 O ATOM 0 H GLY A 48 6.354 0.865 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.895 2.403 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.126 1.898 5.027 1.00 0.00 H new ATOM 756 N GLN A 49 7.290 4.222 3.467 1.00 0.00 N ATOM 757 CA GLN A 49 7.501 5.580 2.982 1.00 0.00 C ATOM 758 C GLN A 49 6.438 6.525 3.532 1.00 0.00 C ATOM 759 O GLN A 49 6.743 7.642 3.954 1.00 0.00 O ATOM 760 CB GLN A 49 7.484 5.607 1.454 1.00 0.00 C ATOM 761 CG GLN A 49 8.814 5.225 0.823 1.00 0.00 C ATOM 762 CD GLN A 49 8.993 5.812 -0.563 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.607 6.952 -0.822 1.00 0.00 O ATOM 764 NE2 GLN A 49 9.583 5.034 -1.464 1.00 0.00 N ATOM 0 H GLN A 49 7.019 3.554 2.745 1.00 0.00 H new ATOM 0 HA GLN A 49 8.477 5.917 3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.712 4.926 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.207 6.607 1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.627 5.564 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.886 4.139 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.887 4.095 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.732 5.375 -2.414 1.00 0.00 H new ATOM 773 N LEU A 50 5.189 6.073 3.523 1.00 0.00 N ATOM 774 CA LEU A 50 4.080 6.879 4.020 1.00 0.00 C ATOM 775 C LEU A 50 4.450 7.566 5.330 1.00 0.00 C ATOM 776 O LEU A 50 4.435 8.794 5.423 1.00 0.00 O ATOM 777 CB LEU A 50 2.839 6.005 4.222 1.00 0.00 C ATOM 778 CG LEU A 50 2.061 5.642 2.956 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.061 4.532 3.245 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.355 6.866 2.393 1.00 0.00 C ATOM 0 H LEU A 50 4.919 5.152 3.177 1.00 0.00 H new ATOM 0 HA LEU A 50 3.860 7.647 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.145 5.082 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.163 6.520 4.905 1.00 0.00 H new ATOM 0 HG LEU A 50 2.768 5.281 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.516 4.286 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.591 3.648 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.358 4.865 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.807 6.588 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.659 7.258 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.092 7.630 2.147 1.00 0.00 H new ATOM 792 N ASP A 51 4.783 6.768 6.337 1.00 0.00 N ATOM 793 CA ASP A 51 5.161 7.299 7.642 1.00 0.00 C ATOM 794 C ASP A 51 6.189 8.417 7.495 1.00 0.00 C ATOM 795 O ASP A 51 6.156 9.403 8.231 1.00 0.00 O ATOM 796 CB ASP A 51 5.722 6.185 8.526 1.00 0.00 C ATOM 797 CG ASP A 51 5.771 6.578 9.991 1.00 0.00 C ATOM 798 OD1 ASP A 51 4.710 6.933 10.544 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.870 6.531 10.582 1.00 0.00 O ATOM 0 H ASP A 51 4.799 5.750 6.276 1.00 0.00 H new ATOM 0 HA ASP A 51 4.268 7.710 8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.108 5.291 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.726 5.927 8.188 1.00 0.00 H new ATOM 804 N GLU A 52 7.102 8.254 6.543 1.00 0.00 N ATOM 805 CA GLU A 52 8.140 9.249 6.303 1.00 0.00 C ATOM 806 C GLU A 52 7.542 10.535 5.743 1.00 0.00 C ATOM 807 O GLU A 52 8.002 11.635 6.053 1.00 0.00 O ATOM 808 CB GLU A 52 9.191 8.699 5.336 1.00 0.00 C ATOM 809 CG GLU A 52 10.374 9.629 5.130 1.00 0.00 C ATOM 810 CD GLU A 52 11.480 9.402 6.142 1.00 0.00 C ATOM 811 OE1 GLU A 52 11.382 9.951 7.260 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.442 8.675 5.818 1.00 0.00 O ATOM 0 H GLU A 52 7.144 7.443 5.926 1.00 0.00 H new ATOM 0 HA GLU A 52 8.617 9.476 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.553 7.742 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.720 8.505 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.772 9.487 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.034 10.663 5.195 1.00 0.00 H new ATOM 819 N VAL A 53 6.513 10.390 4.914 1.00 0.00 N ATOM 820 CA VAL A 53 5.850 11.540 4.309 1.00 0.00 C ATOM 821 C VAL A 53 5.393 12.532 5.371 1.00 0.00 C ATOM 822 O VAL A 53 4.242 12.505 5.806 1.00 0.00 O ATOM 823 CB VAL A 53 4.635 11.108 3.467 1.00 0.00 C ATOM 824 CG1 VAL A 53 3.893 12.326 2.938 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.071 10.202 2.326 1.00 0.00 C ATOM 0 H VAL A 53 6.120 9.488 4.646 1.00 0.00 H new ATOM 0 HA VAL A 53 6.580 12.021 3.658 1.00 0.00 H new ATOM 0 HB VAL A 53 3.954 10.546 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.038 12.002 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.546 12.932 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.563 12.918 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.199 9.907 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.773 10.736 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.554 9.313 2.732 1.00 0.00 H new ATOM 941 N ILE A 61 -2.665 16.798 2.183 1.00 0.00 N ATOM 942 CA ILE A 61 -1.455 16.041 2.477 1.00 0.00 C ATOM 943 C ILE A 61 -1.637 15.175 3.718 1.00 0.00 C ATOM 944 O ILE A 61 -1.636 13.946 3.636 1.00 0.00 O ATOM 945 CB ILE A 61 -0.246 16.971 2.687 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.133 17.656 1.373 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.935 16.189 3.242 1.00 0.00 C ATOM 948 CD1 ILE A 61 -0.584 18.969 1.148 1.00 0.00 C ATOM 0 HA ILE A 61 -1.266 15.402 1.615 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.520 17.739 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.209 17.832 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.089 16.983 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.781 16.861 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.660 15.744 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.211 15.401 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.267 19.399 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.660 18.797 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.342 19.659 1.957 1.00 0.00 H new ATOM 960 N ARG A 62 -1.795 15.822 4.868 1.00 0.00 N ATOM 961 CA ARG A 62 -1.980 15.111 6.127 1.00 0.00 C ATOM 962 C ARG A 62 -2.908 13.914 5.944 1.00 0.00 C ATOM 963 O ARG A 62 -2.624 12.817 6.426 1.00 0.00 O ATOM 964 CB ARG A 62 -2.549 16.052 7.190 1.00 0.00 C ATOM 965 CG ARG A 62 -3.192 15.330 8.362 1.00 0.00 C ATOM 966 CD ARG A 62 -3.100 16.148 9.640 1.00 0.00 C ATOM 967 NE ARG A 62 -4.198 15.856 10.557 1.00 0.00 N ATOM 968 CZ ARG A 62 -5.474 16.108 10.282 1.00 0.00 C ATOM 969 NH1 ARG A 62 -5.808 16.653 9.121 1.00 0.00 N ATOM 970 NH2 ARG A 62 -6.416 15.813 11.167 1.00 0.00 N ATOM 0 H ARG A 62 -1.799 16.838 4.954 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.006 14.748 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.749 16.691 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.289 16.705 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.238 15.125 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.703 14.367 8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.151 15.942 10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.107 17.209 9.392 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.974 15.435 11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.086 16.880 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.787 16.846 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.162 15.392 12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.394 16.007 10.954 1.00 0.00 H new ATOM 984 N GLU A 63 -4.018 14.132 5.244 1.00 0.00 N ATOM 985 CA GLU A 63 -4.987 13.071 5.000 1.00 0.00 C ATOM 986 C GLU A 63 -4.374 11.958 4.154 1.00 0.00 C ATOM 987 O GLU A 63 -4.233 10.824 4.609 1.00 0.00 O ATOM 988 CB GLU A 63 -6.227 13.633 4.302 1.00 0.00 C ATOM 989 CG GLU A 63 -7.362 12.631 4.175 1.00 0.00 C ATOM 990 CD GLU A 63 -7.937 12.228 5.519 1.00 0.00 C ATOM 991 OE1 GLU A 63 -7.985 13.084 6.424 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.340 11.054 5.662 1.00 0.00 O ATOM 0 H GLU A 63 -4.267 15.033 4.837 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.279 12.653 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.582 14.503 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.947 13.980 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.153 13.060 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.001 11.742 3.657 1.00 0.00 H new ATOM 999 N ALA A 64 -4.012 12.293 2.919 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.413 11.325 2.010 1.00 0.00 C ATOM 1001 C ALA A 64 -2.541 10.328 2.766 1.00 0.00 C ATOM 1002 O ALA A 64 -2.530 9.137 2.454 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.598 12.037 0.941 1.00 0.00 C ATOM 0 H ALA A 64 -4.124 13.228 2.526 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.218 10.771 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.157 11.301 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.247 12.704 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.806 12.618 1.414 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.810 10.823 3.760 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.934 9.976 4.559 1.00 0.00 C ATOM 1011 C ARG A 65 -1.731 8.890 5.274 1.00 0.00 C ATOM 1012 O ARG A 65 -1.383 7.710 5.215 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.168 10.818 5.581 1.00 0.00 C ATOM 1014 CG ARG A 65 0.817 10.017 6.415 1.00 0.00 C ATOM 1015 CD ARG A 65 1.928 10.898 6.966 1.00 0.00 C ATOM 1016 NE ARG A 65 2.439 10.402 8.241 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.762 10.471 9.381 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.552 11.012 9.405 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.294 9.998 10.500 1.00 0.00 N ATOM 0 H ARG A 65 -1.808 11.806 4.031 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.222 9.497 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.371 11.608 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.882 11.305 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.290 9.536 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.249 9.223 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.743 10.948 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.554 11.914 7.096 1.00 0.00 H new ATOM 0 HE ARG A 65 3.367 9.979 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.139 11.376 8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.034 11.064 10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.225 9.581 10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.773 10.052 11.375 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.801 9.295 5.949 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.646 8.357 6.678 1.00 0.00 C ATOM 1035 C ARG A 66 -4.451 7.490 5.714 1.00 0.00 C ATOM 1036 O ARG A 66 -4.345 6.263 5.730 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.593 9.110 7.613 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.308 8.212 8.609 1.00 0.00 C ATOM 1039 CD ARG A 66 -4.369 7.737 9.707 1.00 0.00 C ATOM 1040 NE ARG A 66 -4.135 8.772 10.711 1.00 0.00 N ATOM 1041 CZ ARG A 66 -3.632 8.526 11.916 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -3.313 7.286 12.264 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -3.448 9.519 12.775 1.00 0.00 N ATOM 0 H ARG A 66 -3.104 10.267 6.006 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.000 7.710 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.027 9.865 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.336 9.639 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.144 8.753 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.726 7.350 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.790 6.854 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.418 7.437 9.267 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.371 9.736 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.454 6.519 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.927 7.099 13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.693 10.473 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.062 9.328 13.700 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.256 8.135 4.875 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.079 7.423 3.906 1.00 0.00 C ATOM 1059 C ARG A 67 -5.300 6.275 3.270 1.00 0.00 C ATOM 1060 O ARG A 67 -5.710 5.116 3.346 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.571 8.381 2.821 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.530 7.741 1.831 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.418 8.779 1.163 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.150 9.581 2.140 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.866 10.655 1.820 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.945 11.050 0.557 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.503 11.333 2.765 1.00 0.00 N ATOM 0 H ARG A 67 -5.355 9.150 4.848 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.939 7.009 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.064 9.230 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.711 8.774 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.964 7.202 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.150 7.008 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.807 9.433 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.125 8.279 0.501 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.110 9.302 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.456 10.530 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.495 11.874 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.444 11.031 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.052 12.157 2.519 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.175 6.604 2.644 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.339 5.601 1.997 1.00 0.00 C ATOM 1083 C ALA A 68 -3.053 4.435 2.936 1.00 0.00 C ATOM 1084 O ALA A 68 -3.433 3.297 2.664 1.00 0.00 O ATOM 1085 CB ALA A 68 -2.037 6.228 1.520 1.00 0.00 C ATOM 0 H ALA A 68 -3.822 7.558 2.571 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.881 5.214 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.422 5.468 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.256 7.023 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.499 6.643 2.372 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.380 4.727 4.046 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.043 3.702 5.027 1.00 0.00 C ATOM 1093 C VAL A 69 -3.142 2.649 5.120 1.00 0.00 C ATOM 1094 O VAL A 69 -2.864 1.448 5.139 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.814 4.314 6.421 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.584 3.221 7.453 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.644 5.285 6.391 1.00 0.00 C ATOM 0 H VAL A 69 -2.058 5.664 4.287 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.120 3.231 4.689 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.708 4.868 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.424 3.673 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.456 2.569 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.707 2.637 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.497 5.708 7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.259 4.757 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.855 6.087 5.683 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.388 3.105 5.178 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.529 2.201 5.268 1.00 0.00 C ATOM 1109 C ILE A 70 -5.729 1.438 3.962 1.00 0.00 C ATOM 1110 O ILE A 70 -5.713 0.208 3.943 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.823 2.962 5.609 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.658 3.730 6.922 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.996 1.997 5.698 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.664 4.846 7.100 1.00 0.00 C ATOM 0 H ILE A 70 -4.634 4.095 5.164 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.311 1.495 6.069 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.026 3.679 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.749 3.033 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.652 4.148 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.904 2.549 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.123 1.490 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.802 1.259 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.487 5.347 8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.558 5.564 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.672 4.432 7.089 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.917 2.178 2.874 1.00 0.00 N ATOM 1127 CA GLU A 71 -6.120 1.570 1.564 1.00 0.00 C ATOM 1128 C GLU A 71 -5.139 0.424 1.338 1.00 0.00 C ATOM 1129 O GLU A 71 -5.530 -0.675 0.945 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.960 2.618 0.461 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.198 3.474 0.250 1.00 0.00 C ATOM 1132 CD GLU A 71 -8.387 2.670 -0.236 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.266 2.010 -1.290 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.440 2.700 0.436 1.00 0.00 O ATOM 0 H GLU A 71 -5.933 3.198 2.873 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.133 1.169 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.118 3.266 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.713 2.115 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.457 3.969 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.974 4.258 -0.473 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.861 0.689 1.589 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.822 -0.320 1.414 1.00 0.00 C ATOM 1143 C VAL A 72 -2.954 -1.431 2.449 1.00 0.00 C ATOM 1144 O VAL A 72 -3.180 -2.590 2.104 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.416 0.299 1.518 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.347 -0.762 1.296 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -1.261 1.440 0.524 1.00 0.00 C ATOM 0 H VAL A 72 -3.520 1.594 1.914 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.954 -0.740 0.417 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.290 0.703 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.640 -0.306 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.446 -1.542 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.468 -1.199 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.261 1.866 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.408 1.063 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.003 2.210 0.735 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.814 -1.068 3.720 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.918 -2.034 4.806 1.00 0.00 C ATOM 1159 C GLN A 73 -4.050 -3.025 4.547 1.00 0.00 C ATOM 1160 O GLN A 73 -3.928 -4.214 4.843 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.149 -1.316 6.137 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.865 -0.864 6.815 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.998 -0.789 8.324 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.037 0.297 8.902 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -2.068 -1.947 8.970 1.00 0.00 N ATOM 0 H GLN A 73 -2.628 -0.112 4.022 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.980 -2.586 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.785 -0.448 5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.691 -1.981 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.061 -1.554 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.580 0.115 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.032 -2.824 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.158 -1.960 9.986 1.00 0.00 H new ATOM 1174 N THR A 74 -5.150 -2.527 3.993 1.00 0.00 N ATOM 1175 CA THR A 74 -6.303 -3.367 3.695 1.00 0.00 C ATOM 1176 C THR A 74 -5.885 -4.630 2.952 1.00 0.00 C ATOM 1177 O THR A 74 -6.356 -5.727 3.259 1.00 0.00 O ATOM 1178 CB THR A 74 -7.347 -2.610 2.851 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.637 -1.344 3.452 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.627 -3.421 2.720 1.00 0.00 C ATOM 0 H THR A 74 -5.267 -1.545 3.741 1.00 0.00 H new ATOM 0 HA THR A 74 -6.749 -3.642 4.651 1.00 0.00 H new ATOM 0 HB THR A 74 -6.933 -2.452 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.925 -0.707 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.349 -2.867 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.407 -4.372 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.044 -3.606 3.710 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.998 -4.472 1.976 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.516 -5.602 1.190 1.00 0.00 C ATOM 1190 C LEU A 75 -3.788 -6.609 2.073 1.00 0.00 C ATOM 1191 O LEU A 75 -4.124 -7.794 2.087 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.584 -5.114 0.079 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.263 -4.632 -1.204 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.263 -3.923 -2.104 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.908 -5.799 -1.936 1.00 0.00 C ATOM 0 H LEU A 75 -4.598 -3.572 1.710 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.379 -6.096 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.977 -4.299 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.902 -5.924 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.044 -3.921 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.765 -3.587 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.848 -3.062 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.459 -4.610 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.386 -5.438 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.145 -6.533 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.656 -6.263 -1.293 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.792 -6.130 2.812 1.00 0.00 N ATOM 1208 CA ILE A 76 -2.020 -6.989 3.700 1.00 0.00 C ATOM 1209 C ILE A 76 -2.934 -7.868 4.547 1.00 0.00 C ATOM 1210 O ILE A 76 -2.811 -9.094 4.548 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.113 -6.164 4.632 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.023 -5.520 3.834 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.556 -7.042 5.744 1.00 0.00 C ATOM 1214 CD1 ILE A 76 -0.322 -4.151 3.290 1.00 0.00 C ATOM 0 H ILE A 76 -2.502 -5.152 2.813 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.398 -7.621 3.066 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.708 -5.372 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.903 -5.438 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.291 -6.175 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.083 -6.444 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.379 -7.457 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.027 -7.854 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.529 -3.755 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.183 -4.230 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.561 -3.481 4.116 1.00 0.00 H new ATOM 1226 N THR A 77 -3.854 -7.234 5.268 1.00 0.00 N ATOM 1227 CA THR A 77 -4.791 -7.957 6.119 1.00 0.00 C ATOM 1228 C THR A 77 -5.472 -9.085 5.352 1.00 0.00 C ATOM 1229 O THR A 77 -5.569 -10.211 5.841 1.00 0.00 O ATOM 1230 CB THR A 77 -5.868 -7.019 6.694 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.249 -5.943 7.409 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.808 -7.776 7.619 1.00 0.00 C ATOM 0 H THR A 77 -3.970 -6.221 5.279 1.00 0.00 H new ATOM 0 HA THR A 77 -4.211 -8.378 6.941 1.00 0.00 H new ATOM 0 HB THR A 77 -6.449 -6.616 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.940 -5.350 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.560 -7.092 8.013 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.299 -8.575 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.239 -8.204 8.444 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.942 -8.776 4.149 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.617 -9.764 3.316 1.00 0.00 C ATOM 1242 C TYR A 78 -5.750 -11.007 3.134 1.00 0.00 C ATOM 1243 O TYR A 78 -6.221 -12.133 3.289 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.959 -9.163 1.952 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.159 -10.197 0.867 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.210 -11.103 0.927 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.295 -10.268 -0.220 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.396 -12.049 -0.061 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.474 -11.211 -1.214 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.526 -12.100 -1.129 1.00 0.00 C ATOM 1251 OH TYR A 78 -7.708 -13.040 -2.117 1.00 0.00 O ATOM 0 H TYR A 78 -5.868 -7.850 3.729 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.539 -10.057 3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.866 -8.566 2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.160 -8.485 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.894 -11.067 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.470 -9.574 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.219 -12.746 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.795 -11.252 -2.053 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.009 -12.940 -2.797 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.481 -10.791 2.804 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.547 -11.892 2.602 1.00 0.00 C ATOM 1263 C ILE A 79 -3.424 -12.745 3.859 1.00 0.00 C ATOM 1264 O ILE A 79 -3.701 -13.945 3.838 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.151 -11.379 2.203 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.232 -10.559 0.915 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.187 -12.545 2.037 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.092 -9.581 0.748 1.00 0.00 C ATOM 0 H ILE A 79 -4.076 -9.864 2.671 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.946 -12.501 1.791 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.777 -10.733 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.245 -11.238 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.174 -10.011 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.204 -12.167 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.110 -13.090 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.556 -13.214 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.215 -9.035 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.090 -8.878 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.147 -10.124 0.729 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.008 -12.118 4.954 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.850 -12.820 6.223 1.00 0.00 C ATOM 1282 C ASP A 80 -3.971 -13.834 6.426 1.00 0.00 C ATOM 1283 O ASP A 80 -3.724 -15.036 6.532 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.832 -11.822 7.383 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.233 -12.458 8.699 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.440 -12.459 9.014 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.337 -12.954 9.416 1.00 0.00 O ATOM 0 H ASP A 80 -2.774 -11.126 4.989 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.901 -13.355 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.833 -11.397 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.509 -10.998 7.160 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.204 -13.343 6.481 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.365 -14.206 6.673 1.00 0.00 C ATOM 1294 C LEU A 81 -6.287 -15.430 5.767 1.00 0.00 C ATOM 1295 O LEU A 81 -6.452 -16.563 6.221 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.654 -13.431 6.394 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.938 -12.247 7.319 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.753 -11.187 6.593 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.663 -12.713 8.573 1.00 0.00 C ATOM 0 H LEU A 81 -5.426 -12.351 6.395 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.370 -14.543 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.619 -13.065 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.492 -14.125 6.457 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.987 -11.805 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.946 -10.352 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.198 -10.832 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.700 -11.616 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.857 -11.858 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.608 -13.179 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.044 -13.436 9.104 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.035 -15.196 4.484 1.00 0.00 N ATOM 1312 CA LYS A 82 -5.933 -16.279 3.513 1.00 0.00 C ATOM 1313 C LYS A 82 -4.802 -17.234 3.881 1.00 0.00 C ATOM 1314 O LYS A 82 -5.035 -18.413 4.144 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.700 -15.713 2.110 1.00 0.00 C ATOM 1316 CG LYS A 82 -6.877 -14.918 1.572 1.00 0.00 C ATOM 1317 CD LYS A 82 -7.850 -15.805 0.815 1.00 0.00 C ATOM 1318 CE LYS A 82 -7.444 -15.961 -0.642 1.00 0.00 C ATOM 1319 NZ LYS A 82 -7.919 -17.250 -1.216 1.00 0.00 N ATOM 0 H LYS A 82 -5.897 -14.265 4.092 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.872 -16.833 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.818 -15.073 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.485 -16.535 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.395 -14.430 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.514 -14.130 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.894 -16.786 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.852 -15.379 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.851 -15.133 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.359 -15.905 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.622 -17.318 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.511 -18.041 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.957 -17.293 -1.161 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.578 -16.716 3.899 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.412 -17.524 4.236 1.00 0.00 C ATOM 1335 C GLU A 83 -2.734 -18.500 5.364 1.00 0.00 C ATOM 1336 O GLU A 83 -2.356 -19.670 5.313 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.241 -16.626 4.643 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.542 -15.967 3.465 1.00 0.00 C ATOM 1339 CD GLU A 83 0.327 -16.935 2.686 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.170 -18.024 2.331 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.504 -16.603 2.433 1.00 0.00 O ATOM 0 H GLU A 83 -3.368 -15.741 3.684 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.131 -18.097 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.605 -15.852 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.516 -17.219 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.289 -15.538 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.073 -15.143 3.827 1.00 0.00 H new