USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 46 SER OG : rot 161:sc= 0.00122 USER MOD Set 1.2: A 48 THR OG1 : rot 140:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -3.09! C(o=-6.8!,f=-3.1!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -152:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 69 TYR OH : rot 157:sc= -0.239 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 82:sc= 0.131 USER MOD Single : A 87 MET CE :methyl -117:sc= -1.58 (180deg=-2.12!) USER MOD Single : A 91 HIS : no HD1:sc= -3.6 X(o=-3.6,f=-3.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -7.77! C(o=-10!,f=-7.8!) USER MOD Single : A 105 GLN : amide:sc= -0.0487 K(o=-0.049,f=-1.3) USER MOD Single : A 108 MET CE :methyl 163:sc=-0.00925 (180deg=-0.186) USER MOD Single : A 110 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.33) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.774 16.322 -0.624 1.00 0.00 N ATOM 78 CA GLY A 38 -1.180 15.146 -1.371 1.00 0.00 C ATOM 79 C GLY A 38 -0.770 13.855 -0.689 1.00 0.00 C ATOM 80 O GLY A 38 -0.365 12.898 -1.349 1.00 0.00 O ATOM 0 HA2 GLY A 38 -2.262 15.157 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.740 15.183 -2.367 1.00 0.00 H new ATOM 84 N ARG A 39 -0.872 13.829 0.636 1.00 0.00 N ATOM 85 CA ARG A 39 -0.506 12.648 1.407 1.00 0.00 C ATOM 86 C ARG A 39 -1.670 11.664 1.481 1.00 0.00 C ATOM 87 O ARG A 39 -2.836 12.061 1.446 1.00 0.00 O ATOM 88 CB ARG A 39 -0.073 13.048 2.819 1.00 0.00 C ATOM 89 CG ARG A 39 -0.376 11.994 3.871 1.00 0.00 C ATOM 90 CD ARG A 39 -0.083 12.506 5.273 1.00 0.00 C ATOM 91 NE ARG A 39 -0.254 13.953 5.374 1.00 0.00 N ATOM 92 CZ ARG A 39 0.693 14.829 5.056 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.871 14.407 4.619 1.00 0.00 N ATOM 94 NH2 ARG A 39 0.462 16.130 5.175 1.00 0.00 N ATOM 0 H ARG A 39 -1.205 14.613 1.197 1.00 0.00 H new ATOM 0 HA ARG A 39 0.328 12.161 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.998 13.250 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.573 13.977 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.423 11.699 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.220 11.102 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.744 12.012 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.938 12.241 5.550 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.149 14.311 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.052 13.408 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.596 15.082 4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.443 16.459 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.190 16.802 4.931 1.00 0.00 H new ATOM 108 N LEU A 40 -1.347 10.380 1.583 1.00 0.00 N ATOM 109 CA LEU A 40 -2.365 9.338 1.661 1.00 0.00 C ATOM 110 C LEU A 40 -1.945 8.237 2.629 1.00 0.00 C ATOM 111 O LEU A 40 -0.761 7.918 2.747 1.00 0.00 O ATOM 112 CB LEU A 40 -2.623 8.745 0.275 1.00 0.00 C ATOM 113 CG LEU A 40 -3.104 9.724 -0.796 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.025 9.088 -2.175 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.524 10.184 -0.499 1.00 0.00 C ATOM 0 H LEU A 40 -0.388 10.035 1.614 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.285 9.790 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.702 8.278 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.365 7.952 0.373 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.451 10.596 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.371 9.800 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.993 8.810 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.654 8.198 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.850 10.880 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.190 9.321 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.550 10.680 0.471 1.00 0.00 H new ATOM 127 N PHE A 41 -2.922 7.656 3.318 1.00 0.00 N ATOM 128 CA PHE A 41 -2.653 6.589 4.274 1.00 0.00 C ATOM 129 C PHE A 41 -2.832 5.220 3.626 1.00 0.00 C ATOM 130 O PHE A 41 -3.904 4.899 3.112 1.00 0.00 O ATOM 131 CB PHE A 41 -3.578 6.717 5.486 1.00 0.00 C ATOM 132 CG PHE A 41 -3.344 5.665 6.533 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.084 5.482 7.080 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.383 4.859 6.968 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.865 4.515 8.044 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.170 3.891 7.931 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.910 3.718 8.469 1.00 0.00 C ATOM 0 H PHE A 41 -3.907 7.907 3.232 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.618 6.683 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.442 7.701 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.613 6.660 5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.264 6.102 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.370 4.988 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.879 4.383 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.989 3.270 8.263 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.742 2.961 9.221 1.00 0.00 H new ATOM 147 N VAL A 42 -1.774 4.415 3.652 1.00 0.00 N ATOM 148 CA VAL A 42 -1.813 3.080 3.068 1.00 0.00 C ATOM 149 C VAL A 42 -1.478 2.016 4.106 1.00 0.00 C ATOM 150 O VAL A 42 -0.624 2.223 4.969 1.00 0.00 O ATOM 151 CB VAL A 42 -0.834 2.956 1.886 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.936 1.578 1.250 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.097 4.047 0.859 1.00 0.00 C ATOM 0 H VAL A 42 -0.879 4.665 4.072 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.829 2.922 2.706 1.00 0.00 H new ATOM 0 HB VAL A 42 0.181 3.081 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.237 1.509 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.693 0.816 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.951 1.420 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.396 3.944 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.117 3.956 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.967 5.024 1.325 1.00 0.00 H new ATOM 163 N ARG A 43 -2.154 0.876 4.017 1.00 0.00 N ATOM 164 CA ARG A 43 -1.929 -0.222 4.949 1.00 0.00 C ATOM 165 C ARG A 43 -2.005 -1.568 4.234 1.00 0.00 C ATOM 166 O ARG A 43 -2.267 -1.629 3.033 1.00 0.00 O ATOM 167 CB ARG A 43 -2.955 -0.176 6.082 1.00 0.00 C ATOM 168 CG ARG A 43 -4.395 -0.260 5.603 1.00 0.00 C ATOM 169 CD ARG A 43 -5.375 0.031 6.730 1.00 0.00 C ATOM 170 NE ARG A 43 -6.695 -0.537 6.468 1.00 0.00 N ATOM 171 CZ ARG A 43 -7.811 -0.092 7.033 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.768 0.921 7.887 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.975 -0.661 6.743 1.00 0.00 N ATOM 0 H ARG A 43 -2.863 0.688 3.308 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.929 -0.109 5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.761 -0.999 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.821 0.748 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.551 0.450 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.588 -1.254 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.985 -0.374 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.464 1.109 6.863 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.763 -1.318 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.876 1.361 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.627 1.260 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.012 -1.440 6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.832 -0.319 7.177 1.00 0.00 H new ATOM 187 N ASN A 44 -1.772 -2.643 4.980 1.00 0.00 N ATOM 188 CA ASN A 44 -1.813 -3.987 4.416 1.00 0.00 C ATOM 189 C ASN A 44 -0.652 -4.209 3.452 1.00 0.00 C ATOM 190 O ASN A 44 -0.853 -4.602 2.301 1.00 0.00 O ATOM 191 CB ASN A 44 -3.142 -4.220 3.695 1.00 0.00 C ATOM 192 CG ASN A 44 -3.561 -5.678 3.710 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.322 -6.373 2.604 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -4.093 -6.172 4.704 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.553 -2.610 5.976 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.722 -4.700 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.918 -3.617 4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.057 -3.880 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.257 -5.600 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.370 -7.154 4.700 1.00 0.00 H new ATOM 201 N LEU A 45 0.562 -3.955 3.928 1.00 0.00 N ATOM 202 CA LEU A 45 1.756 -4.127 3.108 1.00 0.00 C ATOM 203 C LEU A 45 2.413 -5.477 3.379 1.00 0.00 C ATOM 204 O LEU A 45 2.801 -5.774 4.509 1.00 0.00 O ATOM 205 CB LEU A 45 2.752 -2.998 3.381 1.00 0.00 C ATOM 206 CG LEU A 45 2.593 -1.741 2.526 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.867 -2.052 1.062 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.199 -1.154 2.696 1.00 0.00 C ATOM 0 H LEU A 45 0.745 -3.629 4.877 1.00 0.00 H new ATOM 0 HA LEU A 45 1.456 -4.094 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.668 -2.713 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.760 -3.387 3.236 1.00 0.00 H new ATOM 0 HG LEU A 45 3.321 -1.002 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.749 -1.145 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.885 -2.426 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.164 -2.808 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.103 -0.260 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.455 -1.888 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.039 -0.893 3.742 1.00 0.00 H new ATOM 220 N SER A 46 2.536 -6.289 2.335 1.00 0.00 N ATOM 221 CA SER A 46 3.144 -7.609 2.460 1.00 0.00 C ATOM 222 C SER A 46 4.630 -7.493 2.787 1.00 0.00 C ATOM 223 O SER A 46 5.376 -6.796 2.099 1.00 0.00 O ATOM 224 CB SER A 46 2.955 -8.406 1.168 1.00 0.00 C ATOM 225 OG SER A 46 2.935 -9.799 1.426 1.00 0.00 O ATOM 0 H SER A 46 2.223 -6.057 1.392 1.00 0.00 H new ATOM 0 HA SER A 46 2.649 -8.134 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.023 -8.109 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.761 -8.173 0.472 1.00 0.00 H new ATOM 0 HG SER A 46 2.519 -10.266 0.671 1.00 0.00 H new ATOM 231 N TYR A 47 5.052 -8.181 3.842 1.00 0.00 N ATOM 232 CA TYR A 47 6.448 -8.154 4.263 1.00 0.00 C ATOM 233 C TYR A 47 7.379 -8.401 3.080 1.00 0.00 C ATOM 234 O TYR A 47 8.463 -7.824 2.995 1.00 0.00 O ATOM 235 CB TYR A 47 6.695 -9.203 5.349 1.00 0.00 C ATOM 236 CG TYR A 47 5.513 -9.413 6.268 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.045 -8.383 7.076 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.865 -10.640 6.329 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.967 -8.571 7.918 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.784 -10.836 7.168 1.00 0.00 C ATOM 241 CZ TYR A 47 3.339 -9.799 7.960 1.00 0.00 C ATOM 242 OH TYR A 47 2.263 -9.989 8.797 1.00 0.00 O ATOM 0 H TYR A 47 4.448 -8.764 4.421 1.00 0.00 H new ATOM 0 HA TYR A 47 6.660 -7.164 4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.949 -10.151 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.558 -8.902 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.533 -7.420 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.212 -11.455 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.617 -7.761 8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.291 -11.796 7.203 1.00 0.00 H new ATOM 0 HH TYR A 47 1.936 -10.908 8.706 1.00 0.00 H new ATOM 252 N THR A 48 6.947 -9.264 2.166 1.00 0.00 N ATOM 253 CA THR A 48 7.739 -9.590 0.987 1.00 0.00 C ATOM 254 C THR A 48 8.056 -8.339 0.175 1.00 0.00 C ATOM 255 O THR A 48 9.106 -8.250 -0.461 1.00 0.00 O ATOM 256 CB THR A 48 7.013 -10.605 0.084 1.00 0.00 C ATOM 257 OG1 THR A 48 5.873 -9.989 -0.526 1.00 0.00 O ATOM 258 CG2 THR A 48 6.571 -11.821 0.883 1.00 0.00 C ATOM 0 H THR A 48 6.052 -9.750 2.220 1.00 0.00 H new ATOM 0 HA THR A 48 8.668 -10.034 1.344 1.00 0.00 H new ATOM 0 HB THR A 48 7.708 -10.932 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.800 -10.286 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.061 -12.524 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.443 -12.304 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.891 -11.508 1.676 1.00 0.00 H new ATOM 266 N SER A 49 7.141 -7.376 0.200 1.00 0.00 N ATOM 267 CA SER A 49 7.322 -6.130 -0.537 1.00 0.00 C ATOM 268 C SER A 49 8.363 -5.245 0.140 1.00 0.00 C ATOM 269 O SER A 49 8.454 -5.201 1.367 1.00 0.00 O ATOM 270 CB SER A 49 5.993 -5.381 -0.648 1.00 0.00 C ATOM 271 OG SER A 49 5.029 -6.153 -1.344 1.00 0.00 O ATOM 0 H SER A 49 6.267 -7.434 0.722 1.00 0.00 H new ATOM 0 HA SER A 49 7.676 -6.377 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.622 -5.143 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.148 -4.434 -1.165 1.00 0.00 H new ATOM 0 HG SER A 49 4.392 -5.556 -1.790 1.00 0.00 H new ATOM 277 N SER A 50 9.147 -4.539 -0.669 1.00 0.00 N ATOM 278 CA SER A 50 10.185 -3.657 -0.150 1.00 0.00 C ATOM 279 C SER A 50 9.877 -2.200 -0.484 1.00 0.00 C ATOM 280 O SER A 50 9.159 -1.911 -1.440 1.00 0.00 O ATOM 281 CB SER A 50 11.549 -4.046 -0.723 1.00 0.00 C ATOM 282 OG SER A 50 11.859 -5.397 -0.429 1.00 0.00 O ATOM 0 H SER A 50 9.083 -4.561 -1.687 1.00 0.00 H new ATOM 0 HA SER A 50 10.210 -3.766 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.550 -3.896 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.319 -3.395 -0.310 1.00 0.00 H new ATOM 0 HG SER A 50 12.735 -5.622 -0.807 1.00 0.00 H new ATOM 288 N GLU A 51 10.427 -1.288 0.312 1.00 0.00 N ATOM 289 CA GLU A 51 10.211 0.138 0.101 1.00 0.00 C ATOM 290 C GLU A 51 10.306 0.490 -1.381 1.00 0.00 C ATOM 291 O GLU A 51 9.451 1.194 -1.918 1.00 0.00 O ATOM 292 CB GLU A 51 11.231 0.955 0.897 1.00 0.00 C ATOM 293 CG GLU A 51 10.932 2.444 0.923 1.00 0.00 C ATOM 294 CD GLU A 51 12.153 3.278 1.259 1.00 0.00 C ATOM 295 OE1 GLU A 51 12.868 2.924 2.219 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.392 4.287 0.562 1.00 0.00 O ATOM 0 H GLU A 51 11.025 -1.511 1.108 1.00 0.00 H new ATOM 0 HA GLU A 51 9.208 0.382 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.263 0.582 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.222 0.799 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.544 2.750 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.149 2.641 1.656 1.00 0.00 H new ATOM 303 N GLU A 52 11.353 -0.005 -2.034 1.00 0.00 N ATOM 304 CA GLU A 52 11.560 0.258 -3.453 1.00 0.00 C ATOM 305 C GLU A 52 10.331 -0.139 -4.266 1.00 0.00 C ATOM 306 O GLU A 52 9.861 0.622 -5.112 1.00 0.00 O ATOM 307 CB GLU A 52 12.788 -0.500 -3.961 1.00 0.00 C ATOM 308 CG GLU A 52 13.228 -0.083 -5.354 1.00 0.00 C ATOM 309 CD GLU A 52 14.356 -0.943 -5.892 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.203 -2.182 -5.908 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.392 -0.375 -6.297 1.00 0.00 O ATOM 0 H GLU A 52 12.070 -0.589 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 52 11.725 1.328 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.614 -0.344 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.570 -1.568 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.377 -0.141 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.549 0.959 -5.333 1.00 0.00 H new ATOM 318 N ASP A 53 9.818 -1.336 -4.004 1.00 0.00 N ATOM 319 CA ASP A 53 8.643 -1.835 -4.710 1.00 0.00 C ATOM 320 C ASP A 53 7.499 -0.829 -4.641 1.00 0.00 C ATOM 321 O ASP A 53 6.859 -0.530 -5.650 1.00 0.00 O ATOM 322 CB ASP A 53 8.198 -3.174 -4.119 1.00 0.00 C ATOM 323 CG ASP A 53 9.145 -4.305 -4.467 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.273 -4.321 -3.931 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.759 -5.174 -5.276 1.00 0.00 O ATOM 0 H ASP A 53 10.197 -1.979 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 53 8.912 -1.980 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.128 -3.084 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.200 -3.415 -4.484 1.00 0.00 H new ATOM 330 N LEU A 54 7.246 -0.309 -3.445 1.00 0.00 N ATOM 331 CA LEU A 54 6.178 0.664 -3.244 1.00 0.00 C ATOM 332 C LEU A 54 6.433 1.929 -4.057 1.00 0.00 C ATOM 333 O LEU A 54 5.538 2.434 -4.733 1.00 0.00 O ATOM 334 CB LEU A 54 6.053 1.014 -1.760 1.00 0.00 C ATOM 335 CG LEU A 54 5.345 -0.020 -0.884 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.585 0.275 0.589 1.00 0.00 C ATOM 337 CD2 LEU A 54 3.854 -0.046 -1.188 1.00 0.00 C ATOM 0 H LEU A 54 7.766 -0.545 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 54 5.244 0.217 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.054 1.175 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.519 1.960 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 54 5.759 -1.003 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.074 -0.471 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.654 0.242 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.199 1.266 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.367 -0.788 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.425 0.937 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.701 -0.306 -2.235 1.00 0.00 H new ATOM 349 N GLU A 55 7.661 2.433 -3.988 1.00 0.00 N ATOM 350 CA GLU A 55 8.034 3.638 -4.719 1.00 0.00 C ATOM 351 C GLU A 55 7.604 3.543 -6.180 1.00 0.00 C ATOM 352 O GLU A 55 6.930 4.433 -6.701 1.00 0.00 O ATOM 353 CB GLU A 55 9.545 3.866 -4.635 1.00 0.00 C ATOM 354 CG GLU A 55 10.027 4.242 -3.244 1.00 0.00 C ATOM 355 CD GLU A 55 11.534 4.389 -3.169 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.055 5.413 -3.659 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.193 3.481 -2.621 1.00 0.00 O ATOM 0 H GLU A 55 8.414 2.026 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 55 7.520 4.483 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.059 2.960 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.824 4.655 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.559 5.179 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.704 3.481 -2.534 1.00 0.00 H new ATOM 364 N LYS A 56 7.998 2.458 -6.837 1.00 0.00 N ATOM 365 CA LYS A 56 7.654 2.243 -8.238 1.00 0.00 C ATOM 366 C LYS A 56 6.144 2.113 -8.413 1.00 0.00 C ATOM 367 O LYS A 56 5.538 2.826 -9.215 1.00 0.00 O ATOM 368 CB LYS A 56 8.350 0.988 -8.769 1.00 0.00 C ATOM 369 CG LYS A 56 9.821 1.196 -9.085 1.00 0.00 C ATOM 370 CD LYS A 56 10.647 1.348 -7.819 1.00 0.00 C ATOM 371 CE LYS A 56 12.085 1.732 -8.135 1.00 0.00 C ATOM 372 NZ LYS A 56 12.249 3.207 -8.264 1.00 0.00 N ATOM 0 H LYS A 56 8.557 1.713 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 56 7.995 3.108 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.255 0.190 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.837 0.652 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.193 0.351 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.939 2.084 -9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.198 2.108 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.633 0.412 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.741 1.361 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.395 1.250 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.242 3.428 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.642 3.558 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.978 3.666 -7.371 1.00 0.00 H new ATOM 386 N LEU A 57 5.542 1.201 -7.659 1.00 0.00 N ATOM 387 CA LEU A 57 4.102 0.978 -7.730 1.00 0.00 C ATOM 388 C LEU A 57 3.350 2.303 -7.814 1.00 0.00 C ATOM 389 O LEU A 57 2.680 2.587 -8.807 1.00 0.00 O ATOM 390 CB LEU A 57 3.628 0.185 -6.511 1.00 0.00 C ATOM 391 CG LEU A 57 2.129 0.243 -6.214 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.356 -0.620 -7.200 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.851 -0.198 -4.785 1.00 0.00 C ATOM 0 H LEU A 57 6.029 0.603 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 57 3.892 0.404 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.911 -0.859 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.166 0.548 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 57 1.795 1.275 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.291 -0.567 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.530 -0.259 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.692 -1.654 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.779 -0.150 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.200 -1.221 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.374 0.461 -4.092 1.00 0.00 H new ATOM 405 N PHE A 58 3.466 3.110 -6.765 1.00 0.00 N ATOM 406 CA PHE A 58 2.798 4.406 -6.720 1.00 0.00 C ATOM 407 C PHE A 58 3.378 5.353 -7.766 1.00 0.00 C ATOM 408 O PHE A 58 2.640 6.008 -8.503 1.00 0.00 O ATOM 409 CB PHE A 58 2.932 5.024 -5.326 1.00 0.00 C ATOM 410 CG PHE A 58 2.130 4.310 -4.275 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.746 4.371 -4.281 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.761 3.579 -3.281 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.006 3.716 -3.314 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.026 2.922 -2.312 1.00 0.00 C ATOM 415 CZ PHE A 58 0.647 2.990 -2.330 1.00 0.00 C ATOM 0 H PHE A 58 4.016 2.890 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 58 1.742 4.251 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.982 5.021 -5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.616 6.066 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.240 4.936 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.839 3.522 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.072 3.772 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.530 2.356 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.070 2.476 -1.575 1.00 0.00 H new ATOM 425 N SER A 59 4.704 5.421 -7.824 1.00 0.00 N ATOM 426 CA SER A 59 5.384 6.291 -8.777 1.00 0.00 C ATOM 427 C SER A 59 4.665 6.290 -10.122 1.00 0.00 C ATOM 428 O SER A 59 4.525 7.331 -10.764 1.00 0.00 O ATOM 429 CB SER A 59 6.836 5.845 -8.962 1.00 0.00 C ATOM 430 OG SER A 59 7.349 6.280 -10.209 1.00 0.00 O ATOM 0 H SER A 59 5.329 4.884 -7.223 1.00 0.00 H new ATOM 0 HA SER A 59 5.371 7.305 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.448 6.245 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.897 4.758 -8.900 1.00 0.00 H new ATOM 0 HG SER A 59 8.278 5.983 -10.302 1.00 0.00 H new ATOM 436 N ALA A 60 4.210 5.114 -10.543 1.00 0.00 N ATOM 437 CA ALA A 60 3.504 4.977 -11.810 1.00 0.00 C ATOM 438 C ALA A 60 2.445 6.063 -11.969 1.00 0.00 C ATOM 439 O ALA A 60 2.340 6.692 -13.022 1.00 0.00 O ATOM 440 CB ALA A 60 2.868 3.598 -11.914 1.00 0.00 C ATOM 0 H ALA A 60 4.318 4.242 -10.024 1.00 0.00 H new ATOM 0 HA ALA A 60 4.229 5.092 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.344 3.510 -12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.643 2.834 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.161 3.461 -11.096 1.00 0.00 H new ATOM 446 N TYR A 61 1.662 6.277 -10.918 1.00 0.00 N ATOM 447 CA TYR A 61 0.609 7.285 -10.942 1.00 0.00 C ATOM 448 C TYR A 61 1.199 8.686 -11.068 1.00 0.00 C ATOM 449 O TYR A 61 0.621 9.560 -11.714 1.00 0.00 O ATOM 450 CB TYR A 61 -0.245 7.191 -9.676 1.00 0.00 C ATOM 451 CG TYR A 61 -1.001 5.888 -9.551 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.198 5.689 -10.228 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.519 4.855 -8.756 1.00 0.00 C ATOM 454 CE1 TYR A 61 -2.893 4.500 -10.116 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.206 3.663 -8.640 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.393 3.490 -9.322 1.00 0.00 C ATOM 457 OH TYR A 61 -3.081 2.304 -9.207 1.00 0.00 O ATOM 0 H TYR A 61 1.737 5.766 -10.038 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.020 7.096 -11.812 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.398 7.313 -8.804 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.957 8.017 -9.666 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.592 6.477 -10.852 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.409 4.987 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.823 4.363 -10.648 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.816 2.870 -8.019 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.592 1.699 -8.611 1.00 0.00 H new ATOM 467 N GLY A 62 2.355 8.893 -10.445 1.00 0.00 N ATOM 468 CA GLY A 62 3.006 10.189 -10.499 1.00 0.00 C ATOM 469 C GLY A 62 4.257 10.246 -9.645 1.00 0.00 C ATOM 470 O GLY A 62 4.633 9.272 -8.992 1.00 0.00 O ATOM 0 H GLY A 62 2.853 8.186 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.265 10.419 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.308 10.957 -10.166 1.00 0.00 H new ATOM 474 N PRO A 63 4.925 11.409 -9.643 1.00 0.00 N ATOM 475 CA PRO A 63 6.151 11.617 -8.869 1.00 0.00 C ATOM 476 C PRO A 63 5.889 11.653 -7.367 1.00 0.00 C ATOM 477 O PRO A 63 5.068 12.437 -6.888 1.00 0.00 O ATOM 478 CB PRO A 63 6.654 12.978 -9.357 1.00 0.00 C ATOM 479 CG PRO A 63 5.433 13.680 -9.841 1.00 0.00 C ATOM 480 CD PRO A 63 4.533 12.612 -10.398 1.00 0.00 C ATOM 0 HA PRO A 63 6.866 10.807 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.138 13.533 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.389 12.866 -10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.944 14.217 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.683 14.416 -10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.481 12.855 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.681 12.480 -11.470 1.00 0.00 H new ATOM 488 N LEU A 64 6.592 10.802 -6.628 1.00 0.00 N ATOM 489 CA LEU A 64 6.435 10.737 -5.179 1.00 0.00 C ATOM 490 C LEU A 64 7.246 11.832 -4.494 1.00 0.00 C ATOM 491 O LEU A 64 8.436 11.998 -4.762 1.00 0.00 O ATOM 492 CB LEU A 64 6.870 9.365 -4.660 1.00 0.00 C ATOM 493 CG LEU A 64 6.167 8.158 -5.283 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.761 6.862 -4.753 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.671 8.213 -5.010 1.00 0.00 C ATOM 0 H LEU A 64 7.276 10.148 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 64 5.381 10.890 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.942 9.260 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.708 9.338 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 64 6.320 8.189 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.248 6.014 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.822 6.820 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.639 6.822 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.187 7.347 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.497 8.207 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.256 9.125 -5.440 1.00 0.00 H new ATOM 507 N SER A 65 6.594 12.577 -3.607 1.00 0.00 N ATOM 508 CA SER A 65 7.254 13.658 -2.884 1.00 0.00 C ATOM 509 C SER A 65 8.039 13.116 -1.693 1.00 0.00 C ATOM 510 O SER A 65 9.183 13.505 -1.462 1.00 0.00 O ATOM 511 CB SER A 65 6.224 14.683 -2.405 1.00 0.00 C ATOM 512 OG SER A 65 6.796 15.583 -1.472 1.00 0.00 O ATOM 0 H SER A 65 5.609 12.452 -3.372 1.00 0.00 H new ATOM 0 HA SER A 65 7.951 14.145 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.835 15.238 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.379 14.168 -1.947 1.00 0.00 H new ATOM 0 HG SER A 65 6.118 16.229 -1.182 1.00 0.00 H new ATOM 518 N GLU A 66 7.415 12.214 -0.942 1.00 0.00 N ATOM 519 CA GLU A 66 8.054 11.619 0.225 1.00 0.00 C ATOM 520 C GLU A 66 7.392 10.294 0.592 1.00 0.00 C ATOM 521 O GLU A 66 6.166 10.180 0.597 1.00 0.00 O ATOM 522 CB GLU A 66 7.991 12.579 1.415 1.00 0.00 C ATOM 523 CG GLU A 66 8.079 11.885 2.763 1.00 0.00 C ATOM 524 CD GLU A 66 8.722 12.754 3.827 1.00 0.00 C ATOM 525 OE1 GLU A 66 8.243 13.889 4.034 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.704 12.300 4.451 1.00 0.00 O ATOM 0 H GLU A 66 6.468 11.880 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 66 9.098 11.428 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.805 13.299 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.060 13.143 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.078 11.601 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.652 10.964 2.656 1.00 0.00 H new ATOM 533 N LEU A 67 8.212 9.294 0.898 1.00 0.00 N ATOM 534 CA LEU A 67 7.708 7.976 1.266 1.00 0.00 C ATOM 535 C LEU A 67 8.119 7.613 2.690 1.00 0.00 C ATOM 536 O LEU A 67 9.233 7.912 3.121 1.00 0.00 O ATOM 537 CB LEU A 67 8.226 6.919 0.289 1.00 0.00 C ATOM 538 CG LEU A 67 7.657 5.510 0.461 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.280 5.409 -0.178 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.601 4.477 -0.137 1.00 0.00 C ATOM 0 H LEU A 67 9.229 9.371 0.898 1.00 0.00 H new ATOM 0 HA LEU A 67 6.619 8.005 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.011 7.255 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.311 6.865 0.384 1.00 0.00 H new ATOM 0 HG LEU A 67 7.556 5.307 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.891 4.399 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.606 6.123 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.355 5.632 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.180 3.480 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.734 4.678 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.567 4.532 0.366 1.00 0.00 H new ATOM 552 N HIS A 68 7.212 6.966 3.415 1.00 0.00 N ATOM 553 CA HIS A 68 7.481 6.559 4.790 1.00 0.00 C ATOM 554 C HIS A 68 7.225 5.067 4.975 1.00 0.00 C ATOM 555 O HIS A 68 6.078 4.634 5.090 1.00 0.00 O ATOM 556 CB HIS A 68 6.614 7.362 5.760 1.00 0.00 C ATOM 557 CG HIS A 68 7.016 7.203 7.194 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.477 6.014 7.719 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.025 8.092 8.215 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.751 6.179 9.001 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.486 7.431 9.327 1.00 0.00 N ATOM 0 H HIS A 68 6.285 6.712 3.074 1.00 0.00 H new ATOM 0 HA HIS A 68 8.531 6.758 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.665 8.417 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.575 7.054 5.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.725 9.128 8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.128 5.419 9.669 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.604 7.840 10.254 1.00 0.00 H new ATOM 570 N TYR A 69 8.299 4.286 5.002 1.00 0.00 N ATOM 571 CA TYR A 69 8.190 2.842 5.170 1.00 0.00 C ATOM 572 C TYR A 69 8.862 2.391 6.464 1.00 0.00 C ATOM 573 O TYR A 69 10.065 2.134 6.511 1.00 0.00 O ATOM 574 CB TYR A 69 8.818 2.120 3.977 1.00 0.00 C ATOM 575 CG TYR A 69 8.221 0.756 3.712 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.844 0.572 3.685 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.034 -0.349 3.490 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.294 -0.672 3.444 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.493 -1.596 3.246 1.00 0.00 C ATOM 580 CZ TYR A 69 7.122 -1.753 3.225 1.00 0.00 C ATOM 581 OH TYR A 69 6.579 -2.994 2.984 1.00 0.00 O ATOM 0 H TYR A 69 9.255 4.629 4.910 1.00 0.00 H new ATOM 0 HA TYR A 69 7.132 2.587 5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.701 2.738 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.888 2.011 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.192 1.416 3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.107 -0.231 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.221 -0.797 3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.139 -2.444 3.073 1.00 0.00 H new ATOM 0 HH TYR A 69 7.229 -3.547 2.502 1.00 0.00 H new ATOM 591 N PRO A 70 8.067 2.293 7.539 1.00 0.00 N ATOM 592 CA PRO A 70 8.562 1.872 8.853 1.00 0.00 C ATOM 593 C PRO A 70 8.949 0.398 8.883 1.00 0.00 C ATOM 594 O PRO A 70 8.234 -0.452 8.350 1.00 0.00 O ATOM 595 CB PRO A 70 7.372 2.131 9.780 1.00 0.00 C ATOM 596 CG PRO A 70 6.178 2.059 8.892 1.00 0.00 C ATOM 597 CD PRO A 70 6.624 2.584 7.555 1.00 0.00 C ATOM 0 HA PRO A 70 9.467 2.409 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.320 1.387 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.450 3.106 10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.816 1.034 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.358 2.655 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.105 2.088 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.428 3.652 7.457 1.00 0.00 H new ATOM 605 N ILE A 71 10.083 0.101 9.508 1.00 0.00 N ATOM 606 CA ILE A 71 10.563 -1.272 9.607 1.00 0.00 C ATOM 607 C ILE A 71 11.150 -1.551 10.987 1.00 0.00 C ATOM 608 O ILE A 71 11.995 -0.802 11.477 1.00 0.00 O ATOM 609 CB ILE A 71 11.630 -1.574 8.538 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.139 -1.133 7.157 1.00 0.00 C ATOM 611 CG2 ILE A 71 11.973 -3.056 8.536 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.195 -2.121 6.508 1.00 0.00 C ATOM 0 H ILE A 71 10.687 0.792 9.953 1.00 0.00 H new ATOM 0 HA ILE A 71 9.702 -1.920 9.443 1.00 0.00 H new ATOM 0 HB ILE A 71 12.533 -1.013 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.637 -0.170 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.000 -0.983 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.728 -3.254 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.360 -3.341 9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.077 -3.637 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.888 -1.744 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.700 -3.079 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.316 -2.253 7.139 1.00 0.00 H new ATOM 624 N ASP A 72 10.696 -2.634 11.608 1.00 0.00 N ATOM 625 CA ASP A 72 11.178 -3.015 12.931 1.00 0.00 C ATOM 626 C ASP A 72 12.691 -3.208 12.923 1.00 0.00 C ATOM 627 O ASP A 72 13.279 -3.546 11.896 1.00 0.00 O ATOM 628 CB ASP A 72 10.490 -4.299 13.397 1.00 0.00 C ATOM 629 CG ASP A 72 9.116 -4.039 13.984 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.341 -3.278 13.366 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.816 -4.597 15.060 1.00 0.00 O ATOM 0 H ASP A 72 9.995 -3.264 11.217 1.00 0.00 H new ATOM 0 HA ASP A 72 10.936 -2.210 13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.398 -4.985 12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.113 -4.792 14.143 1.00 0.00 H new ATOM 636 N SER A 73 13.316 -2.991 14.076 1.00 0.00 N ATOM 637 CA SER A 73 14.761 -3.136 14.202 1.00 0.00 C ATOM 638 C SER A 73 15.133 -4.565 14.584 1.00 0.00 C ATOM 639 O SER A 73 16.274 -4.993 14.404 1.00 0.00 O ATOM 640 CB SER A 73 15.305 -2.159 15.246 1.00 0.00 C ATOM 641 OG SER A 73 16.718 -2.078 15.183 1.00 0.00 O ATOM 0 H SER A 73 12.844 -2.714 14.937 1.00 0.00 H new ATOM 0 HA SER A 73 15.209 -2.909 13.235 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.874 -1.171 15.083 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.000 -2.480 16.242 1.00 0.00 H new ATOM 0 HG SER A 73 17.040 -1.446 15.859 1.00 0.00 H new ATOM 647 N LEU A 74 14.161 -5.300 15.114 1.00 0.00 N ATOM 648 CA LEU A 74 14.384 -6.683 15.523 1.00 0.00 C ATOM 649 C LEU A 74 14.128 -7.641 14.365 1.00 0.00 C ATOM 650 O LEU A 74 15.034 -8.342 13.913 1.00 0.00 O ATOM 651 CB LEU A 74 13.478 -7.038 16.704 1.00 0.00 C ATOM 652 CG LEU A 74 13.025 -5.868 17.578 1.00 0.00 C ATOM 653 CD1 LEU A 74 14.158 -4.872 17.766 1.00 0.00 C ATOM 654 CD2 LEU A 74 11.809 -5.187 16.968 1.00 0.00 C ATOM 0 H LEU A 74 13.212 -4.962 15.271 1.00 0.00 H new ATOM 0 HA LEU A 74 15.425 -6.783 15.829 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.592 -7.541 16.318 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.002 -7.755 17.335 1.00 0.00 H new ATOM 0 HG LEU A 74 12.746 -6.257 18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 74 13.817 -4.046 18.391 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.001 -5.367 18.248 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.469 -4.488 16.795 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.500 -4.357 17.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.062 -4.811 15.977 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.993 -5.905 16.887 1.00 0.00 H new ATOM 666 N THR A 75 12.888 -7.666 13.887 1.00 0.00 N ATOM 667 CA THR A 75 12.512 -8.537 12.780 1.00 0.00 C ATOM 668 C THR A 75 13.019 -7.988 11.452 1.00 0.00 C ATOM 669 O THR A 75 13.143 -8.722 10.471 1.00 0.00 O ATOM 670 CB THR A 75 10.984 -8.716 12.699 1.00 0.00 C ATOM 671 OG1 THR A 75 10.383 -7.544 12.137 1.00 0.00 O ATOM 672 CG2 THR A 75 10.397 -8.981 14.077 1.00 0.00 C ATOM 0 H THR A 75 12.126 -7.093 14.249 1.00 0.00 H new ATOM 0 HA THR A 75 12.974 -9.506 12.970 1.00 0.00 H new ATOM 0 HB THR A 75 10.774 -9.574 12.060 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.412 -7.666 12.087 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.317 -9.104 13.995 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.835 -9.889 14.491 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.617 -8.140 14.734 1.00 0.00 H new ATOM 680 N LYS A 76 13.313 -6.693 11.426 1.00 0.00 N ATOM 681 CA LYS A 76 13.810 -6.044 10.218 1.00 0.00 C ATOM 682 C LYS A 76 12.773 -6.109 9.100 1.00 0.00 C ATOM 683 O LYS A 76 13.118 -6.246 7.926 1.00 0.00 O ATOM 684 CB LYS A 76 15.112 -6.704 9.759 1.00 0.00 C ATOM 685 CG LYS A 76 16.355 -6.098 10.388 1.00 0.00 C ATOM 686 CD LYS A 76 16.525 -6.546 11.830 1.00 0.00 C ATOM 687 CE LYS A 76 17.210 -7.902 11.915 1.00 0.00 C ATOM 688 NZ LYS A 76 18.683 -7.792 11.730 1.00 0.00 N ATOM 0 H LYS A 76 13.216 -6.071 12.229 1.00 0.00 H new ATOM 0 HA LYS A 76 14.003 -4.997 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.075 -7.767 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.188 -6.624 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.233 -6.386 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.290 -5.011 10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.111 -5.806 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.549 -6.599 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.999 -8.356 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.797 -8.566 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.113 -8.737 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.886 -7.383 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.081 -7.179 12.470 1.00 0.00 H new ATOM 702 N LYS A 77 11.502 -6.009 9.472 1.00 0.00 N ATOM 703 CA LYS A 77 10.414 -6.053 8.502 1.00 0.00 C ATOM 704 C LYS A 77 9.316 -5.061 8.870 1.00 0.00 C ATOM 705 O LYS A 77 9.149 -4.685 10.031 1.00 0.00 O ATOM 706 CB LYS A 77 9.833 -7.466 8.421 1.00 0.00 C ATOM 707 CG LYS A 77 10.773 -8.475 7.783 1.00 0.00 C ATOM 708 CD LYS A 77 10.231 -9.890 7.894 1.00 0.00 C ATOM 709 CE LYS A 77 11.332 -10.924 7.714 1.00 0.00 C ATOM 710 NZ LYS A 77 10.788 -12.309 7.659 1.00 0.00 N ATOM 0 H LYS A 77 11.199 -5.897 10.440 1.00 0.00 H new ATOM 0 HA LYS A 77 10.818 -5.776 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.579 -7.803 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.905 -7.436 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.921 -8.222 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.749 -8.419 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.759 -10.025 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.458 -10.045 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.882 -10.713 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.042 -10.845 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.569 -12.984 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.285 -12.520 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.129 -12.392 6.858 1.00 0.00 H new ATOM 724 N PRO A 78 8.547 -4.627 7.861 1.00 0.00 N ATOM 725 CA PRO A 78 7.450 -3.674 8.054 1.00 0.00 C ATOM 726 C PRO A 78 6.278 -4.286 8.813 1.00 0.00 C ATOM 727 O PRO A 78 5.931 -5.450 8.608 1.00 0.00 O ATOM 728 CB PRO A 78 7.033 -3.317 6.625 1.00 0.00 C ATOM 729 CG PRO A 78 7.443 -4.492 5.807 1.00 0.00 C ATOM 730 CD PRO A 78 8.689 -5.033 6.452 1.00 0.00 C ATOM 0 HA PRO A 78 7.758 -2.815 8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.959 -3.143 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.526 -2.406 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.656 -5.246 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.634 -4.201 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.756 -6.116 6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.589 -4.614 6.002 1.00 0.00 H new ATOM 738 N LYS A 79 5.670 -3.496 9.692 1.00 0.00 N ATOM 739 CA LYS A 79 4.535 -3.959 10.481 1.00 0.00 C ATOM 740 C LYS A 79 3.318 -4.202 9.594 1.00 0.00 C ATOM 741 O LYS A 79 2.418 -4.960 9.953 1.00 0.00 O ATOM 742 CB LYS A 79 4.191 -2.937 11.567 1.00 0.00 C ATOM 743 CG LYS A 79 5.072 -3.040 12.800 1.00 0.00 C ATOM 744 CD LYS A 79 5.239 -1.691 13.480 1.00 0.00 C ATOM 745 CE LYS A 79 6.306 -1.742 14.563 1.00 0.00 C ATOM 746 NZ LYS A 79 6.035 -0.767 15.655 1.00 0.00 N ATOM 0 H LYS A 79 5.945 -2.531 9.876 1.00 0.00 H new ATOM 0 HA LYS A 79 4.813 -4.902 10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.279 -1.933 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.150 -3.070 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.636 -3.751 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.050 -3.430 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.508 -0.939 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.289 -1.383 13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.354 -2.749 14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.281 -1.532 14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.784 -0.833 16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.014 0.196 15.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.116 -0.982 16.093 1.00 0.00 H new ATOM 760 N GLY A 80 3.299 -3.555 8.433 1.00 0.00 N ATOM 761 CA GLY A 80 2.189 -3.716 7.512 1.00 0.00 C ATOM 762 C GLY A 80 1.447 -2.418 7.266 1.00 0.00 C ATOM 763 O GLY A 80 0.230 -2.416 7.077 1.00 0.00 O ATOM 0 H GLY A 80 4.032 -2.922 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.561 -4.104 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.496 -4.457 7.909 1.00 0.00 H new ATOM 767 N PHE A 81 2.179 -1.309 7.270 1.00 0.00 N ATOM 768 CA PHE A 81 1.582 0.003 7.048 1.00 0.00 C ATOM 769 C PHE A 81 2.639 1.014 6.614 1.00 0.00 C ATOM 770 O PHE A 81 3.813 0.890 6.961 1.00 0.00 O ATOM 771 CB PHE A 81 0.885 0.490 8.320 1.00 0.00 C ATOM 772 CG PHE A 81 1.831 0.770 9.453 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.469 1.996 9.553 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.082 -0.192 10.417 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.340 2.257 10.594 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.951 0.063 11.461 1.00 0.00 C ATOM 777 CZ PHE A 81 3.582 1.289 11.549 1.00 0.00 C ATOM 0 H PHE A 81 3.187 -1.293 7.425 1.00 0.00 H new ATOM 0 HA PHE A 81 0.845 -0.090 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.324 1.397 8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.162 -0.261 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.284 2.756 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.593 -1.153 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.831 3.217 10.661 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.137 -0.695 12.207 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.263 1.490 12.363 1.00 0.00 H new ATOM 787 N ALA A 82 2.212 2.016 5.852 1.00 0.00 N ATOM 788 CA ALA A 82 3.119 3.051 5.371 1.00 0.00 C ATOM 789 C ALA A 82 2.356 4.312 4.981 1.00 0.00 C ATOM 790 O ALA A 82 1.127 4.347 5.033 1.00 0.00 O ATOM 791 CB ALA A 82 3.930 2.535 4.191 1.00 0.00 C ATOM 0 H ALA A 82 1.243 2.133 5.555 1.00 0.00 H new ATOM 0 HA ALA A 82 3.801 3.308 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.603 3.318 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.513 1.668 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.256 2.249 3.383 1.00 0.00 H new ATOM 797 N PHE A 83 3.093 5.346 4.589 1.00 0.00 N ATOM 798 CA PHE A 83 2.486 6.611 4.191 1.00 0.00 C ATOM 799 C PHE A 83 3.129 7.145 2.915 1.00 0.00 C ATOM 800 O PHE A 83 4.339 7.370 2.863 1.00 0.00 O ATOM 801 CB PHE A 83 2.620 7.641 5.314 1.00 0.00 C ATOM 802 CG PHE A 83 1.677 7.407 6.459 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.874 6.348 7.330 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.593 8.246 6.664 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.007 6.130 8.384 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.277 8.033 7.716 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.069 6.974 8.578 1.00 0.00 C ATOM 0 H PHE A 83 4.112 5.333 4.538 1.00 0.00 H new ATOM 0 HA PHE A 83 1.428 6.433 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.644 7.627 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.443 8.636 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.714 5.685 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.426 9.076 5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.171 5.300 9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.118 8.694 7.864 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.746 6.806 9.402 1.00 0.00 H new ATOM 817 N VAL A 84 2.312 7.346 1.886 1.00 0.00 N ATOM 818 CA VAL A 84 2.800 7.854 0.610 1.00 0.00 C ATOM 819 C VAL A 84 2.407 9.314 0.413 1.00 0.00 C ATOM 820 O VAL A 84 1.246 9.686 0.591 1.00 0.00 O ATOM 821 CB VAL A 84 2.257 7.025 -0.569 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.799 7.553 -1.888 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.605 5.555 -0.391 1.00 0.00 C ATOM 0 H VAL A 84 1.309 7.165 1.911 1.00 0.00 H new ATOM 0 HA VAL A 84 3.887 7.773 0.632 1.00 0.00 H new ATOM 0 HB VAL A 84 1.171 7.119 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.404 6.955 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.495 8.592 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.887 7.492 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.214 4.984 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.688 5.440 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.163 5.186 0.534 1.00 0.00 H new ATOM 833 N THR A 85 3.382 10.139 0.045 1.00 0.00 N ATOM 834 CA THR A 85 3.139 11.559 -0.176 1.00 0.00 C ATOM 835 C THR A 85 3.390 11.941 -1.630 1.00 0.00 C ATOM 836 O THR A 85 4.532 11.951 -2.091 1.00 0.00 O ATOM 837 CB THR A 85 4.028 12.429 0.733 1.00 0.00 C ATOM 838 OG1 THR A 85 4.118 11.843 2.036 1.00 0.00 O ATOM 839 CG2 THR A 85 3.472 13.841 0.843 1.00 0.00 C ATOM 0 H THR A 85 4.348 9.848 -0.106 1.00 0.00 H new ATOM 0 HA THR A 85 2.093 11.742 0.069 1.00 0.00 H new ATOM 0 HB THR A 85 5.022 12.481 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.797 11.136 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.116 14.436 1.490 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.433 14.295 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.468 13.805 1.265 1.00 0.00 H new ATOM 847 N PHE A 86 2.318 12.256 -2.348 1.00 0.00 N ATOM 848 CA PHE A 86 2.423 12.639 -3.751 1.00 0.00 C ATOM 849 C PHE A 86 2.659 14.140 -3.889 1.00 0.00 C ATOM 850 O PHE A 86 1.997 14.946 -3.236 1.00 0.00 O ATOM 851 CB PHE A 86 1.154 12.239 -4.507 1.00 0.00 C ATOM 852 CG PHE A 86 1.202 10.844 -5.063 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.996 10.548 -6.159 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.453 9.829 -4.489 1.00 0.00 C ATOM 855 CE1 PHE A 86 2.041 9.266 -6.673 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.495 8.545 -4.998 1.00 0.00 C ATOM 857 CZ PHE A 86 1.291 8.263 -6.091 1.00 0.00 C ATOM 0 H PHE A 86 1.366 12.254 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 86 3.275 12.114 -4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.299 12.325 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 86 0.991 12.942 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.586 11.328 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.171 10.044 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.662 9.049 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.094 7.763 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.327 7.260 -6.490 1.00 0.00 H new ATOM 867 N MET A 87 3.607 14.508 -4.745 1.00 0.00 N ATOM 868 CA MET A 87 3.931 15.912 -4.969 1.00 0.00 C ATOM 869 C MET A 87 2.676 16.711 -5.305 1.00 0.00 C ATOM 870 O MET A 87 2.428 17.768 -4.724 1.00 0.00 O ATOM 871 CB MET A 87 4.953 16.047 -6.099 1.00 0.00 C ATOM 872 CG MET A 87 5.885 17.237 -5.937 1.00 0.00 C ATOM 873 SD MET A 87 6.875 17.551 -7.410 1.00 0.00 S ATOM 874 CE MET A 87 7.755 15.998 -7.564 1.00 0.00 C ATOM 0 H MET A 87 4.164 13.854 -5.295 1.00 0.00 H new ATOM 0 HA MET A 87 4.361 16.312 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.547 15.135 -6.151 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.424 16.137 -7.048 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.297 18.125 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.548 17.062 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.825 16.173 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.417 15.310 -6.789 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.559 15.565 -8.545 1.00 0.00 H new ATOM 884 N PHE A 88 1.888 16.201 -6.246 1.00 0.00 N ATOM 885 CA PHE A 88 0.660 16.869 -6.659 1.00 0.00 C ATOM 886 C PHE A 88 -0.560 16.208 -6.023 1.00 0.00 C ATOM 887 O PHE A 88 -0.614 14.991 -5.843 1.00 0.00 O ATOM 888 CB PHE A 88 0.529 16.845 -8.184 1.00 0.00 C ATOM 889 CG PHE A 88 1.703 17.456 -8.895 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.829 16.700 -9.177 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.679 18.786 -9.282 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.910 17.260 -9.832 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.757 19.351 -9.937 1.00 0.00 C ATOM 894 CZ PHE A 88 3.874 18.587 -10.212 1.00 0.00 C ATOM 0 H PHE A 88 2.078 15.327 -6.737 1.00 0.00 H new ATOM 0 HA PHE A 88 0.708 17.904 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.411 15.813 -8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.377 17.378 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.863 15.662 -8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.808 19.388 -9.069 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.782 16.660 -10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.726 20.389 -10.233 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.718 19.027 -10.723 1.00 0.00 H new ATOM 904 N PRO A 89 -1.562 17.028 -5.673 1.00 0.00 N ATOM 905 CA PRO A 89 -2.799 16.546 -5.052 1.00 0.00 C ATOM 906 C PRO A 89 -3.661 15.746 -6.022 1.00 0.00 C ATOM 907 O PRO A 89 -4.316 14.780 -5.632 1.00 0.00 O ATOM 908 CB PRO A 89 -3.513 17.835 -4.638 1.00 0.00 C ATOM 909 CG PRO A 89 -2.989 18.874 -5.568 1.00 0.00 C ATOM 910 CD PRO A 89 -1.564 18.489 -5.858 1.00 0.00 C ATOM 0 HA PRO A 89 -2.602 15.867 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.595 17.734 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.300 18.089 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.578 18.910 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.041 19.865 -5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.271 18.766 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.868 18.981 -5.178 1.00 0.00 H new ATOM 918 N GLU A 90 -3.656 16.155 -7.287 1.00 0.00 N ATOM 919 CA GLU A 90 -4.440 15.475 -8.311 1.00 0.00 C ATOM 920 C GLU A 90 -3.954 14.042 -8.505 1.00 0.00 C ATOM 921 O GLU A 90 -4.745 13.139 -8.785 1.00 0.00 O ATOM 922 CB GLU A 90 -4.358 16.237 -9.636 1.00 0.00 C ATOM 923 CG GLU A 90 -3.179 15.826 -10.503 1.00 0.00 C ATOM 924 CD GLU A 90 -3.528 14.712 -11.471 1.00 0.00 C ATOM 925 OE1 GLU A 90 -4.072 13.682 -11.022 1.00 0.00 O ATOM 926 OE2 GLU A 90 -3.256 14.872 -12.680 1.00 0.00 O ATOM 0 H GLU A 90 -3.119 16.953 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.478 15.447 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.281 16.079 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.290 17.305 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.825 16.692 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.358 15.503 -9.864 1.00 0.00 H new ATOM 933 N HIS A 91 -2.649 13.839 -8.356 1.00 0.00 N ATOM 934 CA HIS A 91 -2.057 12.516 -8.515 1.00 0.00 C ATOM 935 C HIS A 91 -2.446 11.604 -7.355 1.00 0.00 C ATOM 936 O HIS A 91 -2.737 10.425 -7.550 1.00 0.00 O ATOM 937 CB HIS A 91 -0.535 12.622 -8.607 1.00 0.00 C ATOM 938 CG HIS A 91 -0.059 13.381 -9.808 1.00 0.00 C ATOM 939 ND1 HIS A 91 1.178 13.986 -9.874 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.663 13.631 -10.993 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.315 14.576 -11.048 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.212 14.375 -11.747 1.00 0.00 N ATOM 0 H HIS A 91 -1.981 14.574 -8.125 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.440 12.083 -9.439 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.158 13.108 -7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.110 11.619 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.649 13.306 -11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.181 15.129 -11.380 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.038 14.717 -12.692 1.00 0.00 H new ATOM 951 N ALA A 92 -2.447 12.160 -6.147 1.00 0.00 N ATOM 952 CA ALA A 92 -2.800 11.397 -4.956 1.00 0.00 C ATOM 953 C ALA A 92 -4.224 10.860 -5.051 1.00 0.00 C ATOM 954 O ALA A 92 -4.510 9.749 -4.605 1.00 0.00 O ATOM 955 CB ALA A 92 -2.640 12.258 -3.712 1.00 0.00 C ATOM 0 H ALA A 92 -2.207 13.135 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.123 10.546 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.907 11.676 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.605 12.589 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.294 13.127 -3.785 1.00 0.00 H new ATOM 961 N VAL A 93 -5.115 11.657 -5.633 1.00 0.00 N ATOM 962 CA VAL A 93 -6.510 11.261 -5.786 1.00 0.00 C ATOM 963 C VAL A 93 -6.650 10.117 -6.784 1.00 0.00 C ATOM 964 O VAL A 93 -7.287 9.103 -6.497 1.00 0.00 O ATOM 965 CB VAL A 93 -7.380 12.443 -6.252 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.799 11.979 -6.546 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.378 13.550 -5.209 1.00 0.00 C ATOM 0 H VAL A 93 -4.895 12.581 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.855 10.929 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.956 12.842 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.399 12.828 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.779 11.224 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.237 11.553 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.998 14.377 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.777 13.166 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.358 13.901 -5.053 1.00 0.00 H new ATOM 977 N LYS A 94 -6.050 10.285 -7.957 1.00 0.00 N ATOM 978 CA LYS A 94 -6.105 9.266 -8.998 1.00 0.00 C ATOM 979 C LYS A 94 -5.687 7.905 -8.451 1.00 0.00 C ATOM 980 O LYS A 94 -6.329 6.892 -8.725 1.00 0.00 O ATOM 981 CB LYS A 94 -5.201 9.655 -10.170 1.00 0.00 C ATOM 982 CG LYS A 94 -5.046 8.558 -11.209 1.00 0.00 C ATOM 983 CD LYS A 94 -3.706 8.650 -11.921 1.00 0.00 C ATOM 984 CE LYS A 94 -3.594 7.618 -13.033 1.00 0.00 C ATOM 985 NZ LYS A 94 -4.099 8.145 -14.331 1.00 0.00 N ATOM 0 H LYS A 94 -5.519 11.118 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.135 9.197 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.607 10.545 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.216 9.922 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.137 7.584 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.853 8.630 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.582 9.650 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.900 8.501 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.553 7.315 -13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.158 6.726 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.006 7.412 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.100 8.410 -14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.545 8.981 -14.605 1.00 0.00 H new ATOM 999 N ALA A 95 -4.609 7.891 -7.674 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.108 6.655 -7.085 1.00 0.00 C ATOM 1001 C ALA A 95 -5.094 6.094 -6.065 1.00 0.00 C ATOM 1002 O ALA A 95 -5.424 4.909 -6.094 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.752 6.891 -6.437 1.00 0.00 C ATOM 0 H ALA A 95 -4.066 8.721 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.994 5.921 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.390 5.960 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.045 7.239 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.849 7.644 -5.655 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.559 6.953 -5.165 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.504 6.542 -4.133 1.00 0.00 C ATOM 1011 C TYR A 96 -7.767 5.953 -4.755 1.00 0.00 C ATOM 1012 O TYR A 96 -8.535 5.260 -4.089 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.867 7.731 -3.242 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.193 7.573 -2.533 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.429 6.493 -1.691 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.211 8.503 -2.706 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.639 6.344 -1.041 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.424 8.362 -2.059 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.633 7.281 -1.228 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.840 7.138 -0.583 1.00 0.00 O ATOM 0 H TYR A 96 -5.297 7.938 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.028 5.773 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.082 7.871 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.895 8.635 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.653 5.757 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.052 9.350 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.805 5.498 -0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.204 9.094 -2.203 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.429 7.884 -0.822 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.973 6.235 -6.038 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.140 5.732 -6.752 1.00 0.00 C ATOM 1032 C ALA A 97 -8.856 4.372 -7.379 1.00 0.00 C ATOM 1033 O ALA A 97 -9.766 3.567 -7.575 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.575 6.726 -7.818 1.00 0.00 C ATOM 0 H ALA A 97 -7.347 6.809 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.950 5.609 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.447 6.338 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.828 7.676 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.762 6.877 -8.528 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.588 4.122 -7.692 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.186 2.859 -8.298 1.00 0.00 C ATOM 1042 C GLU A 98 -6.587 1.920 -7.254 1.00 0.00 C ATOM 1043 O GLU A 98 -7.086 0.815 -7.038 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.174 3.105 -9.419 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.745 3.875 -10.597 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.397 2.971 -11.624 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.793 1.845 -11.257 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -7.512 3.388 -12.796 1.00 0.00 O ATOM 0 H GLU A 98 -6.822 4.778 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.075 2.388 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.324 3.654 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.795 2.146 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.479 4.595 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.948 4.445 -11.074 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.515 2.369 -6.610 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.848 1.570 -5.588 1.00 0.00 C ATOM 1057 C VAL A 99 -5.852 1.000 -4.594 1.00 0.00 C ATOM 1058 O VAL A 99 -5.925 -0.213 -4.396 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.800 2.400 -4.823 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.090 1.541 -3.787 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.801 3.018 -5.790 1.00 0.00 C ATOM 0 H VAL A 99 -5.090 3.281 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.347 0.751 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.313 3.207 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.353 2.145 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.819 1.151 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.588 0.711 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.068 3.601 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.292 2.228 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.326 3.669 -6.489 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.625 1.882 -3.970 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.628 1.466 -2.996 1.00 0.00 C ATOM 1073 C ASP A 100 -8.409 0.257 -3.503 1.00 0.00 C ATOM 1074 O ASP A 100 -9.370 0.398 -4.257 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.587 2.619 -2.696 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.399 2.383 -1.438 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -8.799 2.337 -0.343 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.636 2.246 -1.547 1.00 0.00 O ATOM 0 H ASP A 100 -6.576 2.890 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.113 1.184 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.018 3.543 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.262 2.756 -3.541 1.00 0.00 H new ATOM 1083 N GLY A 101 -7.988 -0.932 -3.083 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.658 -2.148 -3.505 1.00 0.00 C ATOM 1085 C GLY A 101 -7.808 -2.983 -4.441 1.00 0.00 C ATOM 1086 O GLY A 101 -8.327 -3.813 -5.187 1.00 0.00 O ATOM 0 H GLY A 101 -7.195 -1.075 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.916 -2.741 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.594 -1.890 -4.001 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.497 -2.763 -4.403 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.574 -3.502 -5.257 1.00 0.00 C ATOM 1092 C GLN A 102 -4.739 -4.480 -4.438 1.00 0.00 C ATOM 1093 O GLN A 102 -4.199 -4.125 -3.390 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.658 -2.535 -6.008 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.382 -2.196 -5.254 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.607 -1.063 -5.899 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.681 -0.477 -5.148 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.838 -0.718 -7.058 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.051 -2.080 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.161 -4.070 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.396 -2.971 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.205 -1.614 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.632 -1.923 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.749 -3.082 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.559 -1.196 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.309 0.046 -7.478 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.637 -5.714 -4.922 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.867 -6.744 -4.236 1.00 0.00 C ATOM 1109 C VAL A 103 -2.392 -6.671 -4.614 1.00 0.00 C ATOM 1110 O VAL A 103 -2.048 -6.468 -5.779 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.400 -8.152 -4.559 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.567 -9.213 -3.855 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.866 -8.268 -4.170 1.00 0.00 C ATOM 0 H VAL A 103 -5.079 -6.024 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.974 -6.560 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.319 -8.315 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.959 -10.202 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.531 -9.142 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.614 -9.056 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.227 -9.269 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.974 -8.085 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.449 -7.533 -4.725 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.523 -6.839 -3.623 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.084 -6.793 -3.852 1.00 0.00 C ATOM 1125 C PHE A 104 0.628 -7.890 -3.065 1.00 0.00 C ATOM 1126 O PHE A 104 0.676 -7.854 -1.836 1.00 0.00 O ATOM 1127 CB PHE A 104 0.473 -5.423 -3.456 1.00 0.00 C ATOM 1128 CG PHE A 104 1.844 -5.152 -4.006 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.055 -5.079 -5.373 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.923 -4.972 -3.154 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.316 -4.829 -5.882 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.185 -4.721 -3.657 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.383 -4.651 -5.023 1.00 0.00 C ATOM 0 H PHE A 104 -1.790 -7.008 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 104 0.095 -6.958 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.209 -4.648 -3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.506 -5.353 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.225 -5.219 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.775 -5.029 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.467 -4.773 -6.950 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.017 -4.579 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.369 -4.458 -5.418 1.00 0.00 H new ATOM 1143 N GLN A 105 1.178 -8.863 -3.784 1.00 0.00 N ATOM 1144 CA GLN A 105 1.886 -9.971 -3.154 1.00 0.00 C ATOM 1145 C GLN A 105 0.964 -10.741 -2.214 1.00 0.00 C ATOM 1146 O GLN A 105 1.398 -11.247 -1.180 1.00 0.00 O ATOM 1147 CB GLN A 105 3.103 -9.454 -2.383 1.00 0.00 C ATOM 1148 CG GLN A 105 3.986 -8.522 -3.196 1.00 0.00 C ATOM 1149 CD GLN A 105 4.617 -9.210 -4.391 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.661 -10.438 -4.463 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.109 -8.419 -5.338 1.00 0.00 N ATOM 0 H GLN A 105 1.147 -8.907 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 105 2.223 -10.648 -3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.762 -8.931 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.698 -10.303 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.393 -7.675 -3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.772 -8.122 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.051 -7.406 -5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.545 -8.825 -6.166 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.311 -10.826 -2.582 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.274 -11.537 -1.761 1.00 0.00 C ATOM 1162 C GLY A 106 -1.718 -10.728 -0.558 1.00 0.00 C ATOM 1163 O GLY A 106 -2.075 -11.290 0.478 1.00 0.00 O ATOM 0 H GLY A 106 -0.694 -10.415 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.145 -11.792 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.836 -12.476 -1.422 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.694 -9.407 -0.694 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.094 -8.520 0.392 1.00 0.00 C ATOM 1169 C ARG A 107 -2.934 -7.360 -0.135 1.00 0.00 C ATOM 1170 O ARG A 107 -2.433 -6.493 -0.850 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.861 -7.981 1.120 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.354 -8.899 2.220 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.199 -8.780 3.479 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.018 -9.922 4.371 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.801 -10.172 5.414 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.814 -9.364 5.695 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.572 -11.232 6.178 1.00 0.00 N ATOM 0 H ARG A 107 -1.402 -8.927 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.699 -9.095 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.063 -7.821 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.100 -7.009 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.366 -9.931 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.682 -8.653 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.936 -7.863 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.250 -8.699 3.203 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.247 -10.563 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.993 -8.548 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.414 -9.558 6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.794 -11.856 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.174 -11.423 6.979 1.00 0.00 H new ATOM 1191 N MET A 108 -4.214 -7.352 0.223 1.00 0.00 N ATOM 1192 CA MET A 108 -5.123 -6.298 -0.213 1.00 0.00 C ATOM 1193 C MET A 108 -4.687 -4.943 0.334 1.00 0.00 C ATOM 1194 O MET A 108 -4.765 -4.694 1.538 1.00 0.00 O ATOM 1195 CB MET A 108 -6.551 -6.608 0.238 1.00 0.00 C ATOM 1196 CG MET A 108 -7.342 -7.429 -0.768 1.00 0.00 C ATOM 1197 SD MET A 108 -9.109 -7.074 -0.719 1.00 0.00 S ATOM 1198 CE MET A 108 -9.152 -5.465 -1.503 1.00 0.00 C ATOM 0 H MET A 108 -4.645 -8.063 0.814 1.00 0.00 H new ATOM 0 HA MET A 108 -5.095 -6.256 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.515 -7.146 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.076 -5.671 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.963 -7.231 -1.771 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.183 -8.489 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.171 -5.242 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.818 -4.706 -0.795 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.493 -5.466 -2.371 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.227 -4.071 -0.555 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.778 -2.740 -0.161 1.00 0.00 C ATOM 1210 C LEU A 109 -4.964 -1.801 0.036 1.00 0.00 C ATOM 1211 O LEU A 109 -5.797 -1.641 -0.857 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.829 -2.167 -1.215 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.571 -2.988 -1.503 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.835 -2.430 -2.711 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.660 -3.012 -0.285 1.00 0.00 C ATOM 0 H LEU A 109 -4.155 -4.261 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.247 -2.829 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.382 -2.048 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.523 -1.170 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.871 -4.012 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.057 -3.027 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.488 -2.466 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.546 -1.397 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.230 -3.601 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.367 -1.994 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.189 -3.459 0.556 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.033 -1.180 1.209 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.116 -0.254 1.522 1.00 0.00 C ATOM 1229 C HIS A 110 -5.613 1.186 1.530 1.00 0.00 C ATOM 1230 O HIS A 110 -4.517 1.470 2.013 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.734 -0.599 2.878 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.551 -1.854 2.862 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.701 -2.012 3.606 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.379 -3.013 2.185 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.200 -3.216 3.389 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.417 -3.843 2.530 1.00 0.00 N ATOM 0 H HIS A 110 -4.352 -1.301 1.959 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.879 -0.350 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.938 -0.703 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.363 0.230 3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.575 -3.242 1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.096 -3.619 3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.560 -4.790 2.180 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.422 2.093 0.990 1.00 0.00 N ATOM 1246 CA VAL A 111 -6.060 3.504 0.935 1.00 0.00 C ATOM 1247 C VAL A 111 -7.171 4.379 1.505 1.00 0.00 C ATOM 1248 O VAL A 111 -8.354 4.055 1.389 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.760 3.951 -0.508 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.094 5.318 -0.517 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.891 2.921 -1.214 1.00 0.00 C ATOM 0 H VAL A 111 -7.332 1.875 0.585 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.161 3.623 1.539 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.703 4.030 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.890 5.617 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.756 6.048 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.158 5.270 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.689 3.252 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.950 2.808 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.411 1.963 -1.241 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.784 5.490 2.122 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.747 6.414 2.711 1.00 0.00 C ATOM 1263 C LEU A 112 -7.253 7.853 2.609 1.00 0.00 C ATOM 1264 O LEU A 112 -6.059 8.135 2.720 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.001 6.052 4.175 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.876 4.822 4.420 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.696 4.313 5.842 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.338 5.145 4.149 1.00 0.00 C ATOM 0 H LEU A 112 -5.810 5.773 2.227 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.681 6.330 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.039 5.891 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.466 6.908 4.665 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.564 4.036 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.326 3.438 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.652 4.042 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.980 5.094 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.946 4.258 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.662 5.947 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.455 5.461 3.112 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.191 8.788 2.396 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.875 10.214 2.278 1.00 0.00 C ATOM 1282 C PRO A 113 -7.433 10.822 3.605 1.00 0.00 C ATOM 1283 O PRO A 113 -8.073 10.617 4.636 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.198 10.834 1.821 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.246 9.895 2.312 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.633 8.524 2.254 1.00 0.00 C ATOM 0 HA PRO A 113 -7.046 10.392 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.333 11.832 2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.234 10.935 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.548 10.145 3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.140 9.949 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.005 7.884 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.859 8.022 1.313 1.00 0.00 H new ATOM 1294 N SER A 114 -6.335 11.570 3.571 1.00 0.00 N ATOM 1295 CA SER A 114 -5.805 12.205 4.773 1.00 0.00 C ATOM 1296 C SER A 114 -5.462 13.667 4.508 1.00 0.00 C ATOM 1297 O SER A 114 -4.579 13.976 3.707 1.00 0.00 O ATOM 1298 CB SER A 114 -4.563 11.458 5.264 1.00 0.00 C ATOM 1299 OG SER A 114 -4.135 11.953 6.521 1.00 0.00 O ATOM 0 H SER A 114 -5.795 11.751 2.725 1.00 0.00 H new ATOM 0 HA SER A 114 -6.573 12.165 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.783 10.393 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.759 11.563 4.535 1.00 0.00 H new ATOM 0 HG SER A 114 -3.341 11.459 6.814 1.00 0.00 H new