USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 727 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 75 HIS : no HE2:sc=-0.00221 X(o=0.027,f=-0.39) USER MOD Set 1.2: A 79 THR OG1 : rot -149:sc= 0.0294 USER MOD Set 2.1: A 47 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-1.5) USER MOD Set 3.2: A 91 ASN : amide:sc= 0 K(o=-0.11,f=-1.1) USER MOD Single : A 11 MET CE :methyl -168:sc= 0 (180deg=-0.254) USER MOD Single : A 23 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.4!) USER MOD Single : A 25 CYS SG : rot 70:sc= -0.457 USER MOD Single : A 35 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.066) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.21 F(o=-3.7,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0731 (180deg=-0.435) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 68:sc= 0.77 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 179:sc= -0.788 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 67 ASN : amide:sc= -0.074 X(o=-0.074,f=-0.44) USER MOD Single : A 72 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 74 ASN : amide:sc=-0.00669 K(o=-0.0067,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00975) USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= -0.177 (180deg=-0.629) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc=-0.00726 (180deg=-0.0653) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N MET A 11 8.950 7.892 -5.998 1.00 0.77 N ATOM 145 CA MET A 11 7.965 8.051 -7.061 1.00 0.68 C ATOM 146 C MET A 11 6.548 7.962 -6.507 1.00 0.61 C ATOM 147 O MET A 11 6.248 7.097 -5.684 1.00 0.63 O ATOM 148 CB MET A 11 8.168 6.982 -8.138 1.00 0.70 C ATOM 149 CG MET A 11 8.224 5.567 -7.587 1.00 0.72 C ATOM 150 SD MET A 11 6.638 4.716 -7.697 1.00 1.23 S ATOM 151 CE MET A 11 7.062 3.351 -8.776 1.00 0.74 C ATOM 0 HA MET A 11 8.103 9.037 -7.504 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.356 7.049 -8.862 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.093 7.191 -8.676 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.976 4.998 -8.133 1.00 0.72 H new ATOM 0 HG3 MET A 11 8.543 5.599 -6.545 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.151 2.856 -9.112 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.610 3.727 -9.640 1.00 0.74 H new ATOM 0 HE3 MET A 11 7.683 2.638 -8.234 1.00 0.74 H new ATOM 161 N ALA A 12 5.683 8.866 -6.960 1.00 0.57 N ATOM 162 CA ALA A 12 4.295 8.889 -6.513 1.00 0.56 C ATOM 163 C ALA A 12 3.639 7.524 -6.689 1.00 0.48 C ATOM 164 O ALA A 12 4.002 6.760 -7.582 1.00 0.46 O ATOM 165 CB ALA A 12 3.516 9.954 -7.269 1.00 0.62 C ATOM 0 H ALA A 12 5.920 9.592 -7.636 1.00 0.57 H new ATOM 0 HA ALA A 12 4.284 9.133 -5.451 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.481 9.961 -6.926 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.965 10.931 -7.087 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.543 9.735 -8.336 1.00 0.62 H new ATOM 171 N ILE A 13 2.671 7.224 -5.828 1.00 0.46 N ATOM 172 CA ILE A 13 1.964 5.951 -5.886 1.00 0.44 C ATOM 173 C ILE A 13 1.247 5.789 -7.225 1.00 0.43 C ATOM 174 O ILE A 13 1.043 4.672 -7.698 1.00 0.45 O ATOM 175 CB ILE A 13 0.958 5.824 -4.713 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.501 4.857 -3.660 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.414 5.365 -5.194 1.00 0.54 C ATOM 178 CD1 ILE A 13 1.079 5.202 -2.248 1.00 0.58 C ATOM 0 H ILE A 13 2.359 7.846 -5.082 1.00 0.46 H new ATOM 0 HA ILE A 13 2.701 5.153 -5.793 1.00 0.44 H new ATOM 0 HB ILE A 13 0.837 6.812 -4.268 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.162 3.848 -3.896 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.590 4.848 -3.713 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.091 5.288 -4.343 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.810 6.087 -5.908 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.324 4.391 -5.675 1.00 0.54 H new ATOM 0 HD11 ILE A 13 1.500 4.474 -1.554 1.00 0.58 H new ATOM 0 HD12 ILE A 13 1.441 6.198 -1.993 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.009 5.182 -2.178 1.00 0.58 H new ATOM 190 N ARG A 14 0.873 6.913 -7.832 1.00 0.47 N ATOM 191 CA ARG A 14 0.185 6.896 -9.118 1.00 0.53 C ATOM 192 C ARG A 14 1.002 6.134 -10.158 1.00 0.51 C ATOM 193 O ARG A 14 0.450 5.541 -11.085 1.00 0.66 O ATOM 194 CB ARG A 14 -0.082 8.327 -9.598 1.00 0.62 C ATOM 195 CG ARG A 14 1.112 8.981 -10.274 1.00 1.28 C ATOM 196 CD ARG A 14 1.110 10.488 -10.079 1.00 1.42 C ATOM 197 NE ARG A 14 0.152 11.152 -10.958 1.00 1.82 N ATOM 198 CZ ARG A 14 0.432 11.536 -12.199 1.00 2.23 C ATOM 199 NH1 ARG A 14 1.638 11.322 -12.708 1.00 2.63 N ATOM 200 NH2 ARG A 14 -0.495 12.135 -12.933 1.00 2.82 N ATOM 0 H ARG A 14 1.035 7.846 -7.453 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.769 6.385 -8.989 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.921 8.316 -10.294 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.383 8.936 -8.746 1.00 0.62 H new ATOM 0 HG2 ARG A 14 2.034 8.563 -9.870 1.00 1.28 H new ATOM 0 HG3 ARG A 14 1.098 8.752 -11.339 1.00 1.28 H new ATOM 0 HD2 ARG A 14 0.870 10.719 -9.041 1.00 1.42 H new ATOM 0 HD3 ARG A 14 2.109 10.880 -10.270 1.00 1.42 H new ATOM 0 HE ARG A 14 -0.786 11.331 -10.599 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.354 10.861 -12.146 1.00 2.63 H new ATOM 0 HH12 ARG A 14 1.849 11.618 -13.661 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -1.424 12.301 -12.545 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -0.280 12.430 -13.885 1.00 2.82 H new ATOM 214 N LEU A 15 2.322 6.158 -9.994 1.00 0.43 N ATOM 215 CA LEU A 15 3.221 5.471 -10.913 1.00 0.46 C ATOM 216 C LEU A 15 3.146 3.961 -10.715 1.00 0.42 C ATOM 217 O LEU A 15 3.266 3.195 -11.670 1.00 0.44 O ATOM 218 CB LEU A 15 4.660 5.954 -10.708 1.00 0.54 C ATOM 219 CG LEU A 15 5.455 6.210 -11.991 1.00 0.64 C ATOM 220 CD1 LEU A 15 5.545 4.945 -12.832 1.00 1.44 C ATOM 221 CD2 LEU A 15 4.826 7.342 -12.791 1.00 1.51 C ATOM 0 H LEU A 15 2.792 6.647 -9.232 1.00 0.43 H new ATOM 0 HA LEU A 15 2.909 5.703 -11.931 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.637 6.875 -10.125 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.193 5.213 -10.112 1.00 0.54 H new ATOM 0 HG LEU A 15 6.467 6.505 -11.713 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.114 5.151 -13.739 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.044 4.163 -12.260 1.00 1.44 H new ATOM 0 HD13 LEU A 15 4.542 4.615 -13.101 1.00 1.44 H new ATOM 0 HD21 LEU A 15 5.404 7.510 -13.700 1.00 1.51 H new ATOM 0 HD22 LEU A 15 3.803 7.075 -13.056 1.00 1.51 H new ATOM 0 HD23 LEU A 15 4.820 8.252 -12.191 1.00 1.51 H new ATOM 233 N LEU A 16 2.949 3.544 -9.466 1.00 0.38 N ATOM 234 CA LEU A 16 2.854 2.126 -9.133 1.00 0.38 C ATOM 235 C LEU A 16 1.839 1.424 -10.038 1.00 0.36 C ATOM 236 O LEU A 16 0.634 1.652 -9.916 1.00 0.35 O ATOM 237 CB LEU A 16 2.451 1.954 -7.664 1.00 0.39 C ATOM 238 CG LEU A 16 3.211 0.868 -6.894 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.927 -0.505 -7.483 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.707 1.153 -6.897 1.00 0.93 C ATOM 0 H LEU A 16 2.852 4.170 -8.667 1.00 0.38 H new ATOM 0 HA LEU A 16 3.832 1.671 -9.291 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.594 2.906 -7.152 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.386 1.727 -7.622 1.00 0.39 H new ATOM 0 HG LEU A 16 2.864 0.876 -5.861 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.476 -1.262 -6.923 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.859 -0.713 -7.423 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.243 -0.526 -8.526 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.228 0.370 -6.345 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.071 1.176 -7.924 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.895 2.117 -6.424 1.00 0.93 H new ATOM 252 N PRO A 17 2.310 0.565 -10.965 1.00 0.38 N ATOM 253 CA PRO A 17 1.430 -0.160 -11.888 1.00 0.40 C ATOM 254 C PRO A 17 0.297 -0.883 -11.167 1.00 0.35 C ATOM 255 O PRO A 17 0.538 -1.708 -10.286 1.00 0.35 O ATOM 256 CB PRO A 17 2.366 -1.167 -12.557 1.00 0.46 C ATOM 257 CG PRO A 17 3.713 -0.539 -12.476 1.00 0.48 C ATOM 258 CD PRO A 17 3.733 0.229 -11.185 1.00 0.43 C ATOM 0 HA PRO A 17 0.935 0.513 -12.588 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.345 -2.129 -12.044 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.076 -1.351 -13.591 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.498 -1.295 -12.493 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.888 0.121 -13.326 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.136 -0.369 -10.368 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.351 1.124 -11.259 1.00 0.43 H new ATOM 266 N LEU A 18 -0.937 -0.566 -11.548 1.00 0.40 N ATOM 267 CA LEU A 18 -2.109 -1.184 -10.939 1.00 0.41 C ATOM 268 C LEU A 18 -2.097 -2.707 -11.108 1.00 0.36 C ATOM 269 O LEU A 18 -2.269 -3.434 -10.128 1.00 0.37 O ATOM 270 CB LEU A 18 -3.396 -0.594 -11.527 1.00 0.51 C ATOM 271 CG LEU A 18 -4.400 -0.062 -10.497 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.871 -1.181 -9.580 1.00 1.36 C ATOM 273 CD2 LEU A 18 -3.786 1.072 -9.687 1.00 1.64 C ATOM 0 H LEU A 18 -1.151 0.116 -12.276 1.00 0.40 H new ATOM 0 HA LEU A 18 -2.076 -0.967 -9.871 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.129 0.218 -12.203 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.887 -1.360 -12.127 1.00 0.51 H new ATOM 0 HG LEU A 18 -5.265 0.329 -11.032 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.583 -0.783 -8.856 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -5.353 -1.959 -10.173 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -4.016 -1.604 -9.053 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -4.513 1.436 -8.962 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -2.902 0.708 -9.163 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.502 1.885 -10.356 1.00 1.64 H new ATOM 285 N PRO A 19 -1.899 -3.223 -12.344 1.00 0.36 N ATOM 286 CA PRO A 19 -1.866 -4.669 -12.592 1.00 0.41 C ATOM 287 C PRO A 19 -0.892 -5.388 -11.665 1.00 0.39 C ATOM 288 O PRO A 19 -1.060 -6.571 -11.366 1.00 0.44 O ATOM 289 CB PRO A 19 -1.401 -4.790 -14.053 1.00 0.49 C ATOM 290 CG PRO A 19 -0.919 -3.429 -14.433 1.00 0.59 C ATOM 291 CD PRO A 19 -1.698 -2.465 -13.589 1.00 0.40 C ATOM 0 HA PRO A 19 -2.837 -5.129 -12.409 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.606 -5.529 -14.152 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.218 -5.112 -14.699 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.151 -3.329 -14.252 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.082 -3.239 -15.494 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.148 -1.540 -13.417 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.645 -2.191 -14.055 1.00 0.40 H new ATOM 299 N VAL A 20 0.127 -4.662 -11.212 1.00 0.38 N ATOM 300 CA VAL A 20 1.125 -5.223 -10.312 1.00 0.44 C ATOM 301 C VAL A 20 0.659 -5.117 -8.864 1.00 0.42 C ATOM 302 O VAL A 20 0.851 -6.034 -8.070 1.00 0.46 O ATOM 303 CB VAL A 20 2.484 -4.508 -10.466 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.482 -5.010 -9.430 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.028 -4.698 -11.874 1.00 0.56 C ATOM 0 H VAL A 20 0.281 -3.683 -11.455 1.00 0.38 H new ATOM 0 HA VAL A 20 1.251 -6.273 -10.577 1.00 0.44 H new ATOM 0 HB VAL A 20 2.331 -3.442 -10.297 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.432 -4.491 -9.559 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.096 -4.817 -8.429 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.633 -6.082 -9.560 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.987 -4.188 -11.966 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.163 -5.761 -12.072 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.325 -4.281 -12.595 1.00 0.56 H new ATOM 315 N ARG A 21 0.047 -3.989 -8.529 1.00 0.42 N ATOM 316 CA ARG A 21 -0.457 -3.758 -7.179 1.00 0.46 C ATOM 317 C ARG A 21 -1.522 -4.785 -6.811 1.00 0.39 C ATOM 318 O ARG A 21 -1.698 -5.124 -5.642 1.00 0.38 O ATOM 319 CB ARG A 21 -1.050 -2.353 -7.080 1.00 0.54 C ATOM 320 CG ARG A 21 -0.826 -1.689 -5.732 1.00 1.17 C ATOM 321 CD ARG A 21 -0.621 -0.191 -5.881 1.00 0.77 C ATOM 322 NE ARG A 21 -1.888 0.535 -5.905 1.00 1.75 N ATOM 323 CZ ARG A 21 -2.058 1.702 -6.521 1.00 2.57 C ATOM 324 NH1 ARG A 21 -1.047 2.273 -7.162 1.00 2.82 N ATOM 325 NH2 ARG A 21 -3.242 2.298 -6.494 1.00 3.62 N ATOM 0 H ARG A 21 -0.113 -3.216 -9.175 1.00 0.42 H new ATOM 0 HA ARG A 21 0.376 -3.856 -6.483 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.614 -1.728 -7.860 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -2.121 -2.406 -7.276 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -1.682 -1.878 -5.084 1.00 1.17 H new ATOM 0 HG3 ARG A 21 0.044 -2.131 -5.247 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.009 0.175 -5.057 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.071 0.010 -6.800 1.00 0.77 H new ATOM 0 HE ARG A 21 -2.687 0.124 -5.422 1.00 1.75 H new ATOM 0 HH11 ARG A 21 -0.135 1.817 -7.184 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -1.182 3.168 -7.633 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -4.021 1.862 -6.001 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -3.373 3.193 -6.966 1.00 3.62 H new ATOM 339 N ALA A 22 -2.228 -5.273 -7.825 1.00 0.40 N ATOM 340 CA ALA A 22 -3.298 -6.245 -7.632 1.00 0.40 C ATOM 341 C ALA A 22 -2.822 -7.513 -6.924 1.00 0.35 C ATOM 342 O ALA A 22 -3.548 -8.074 -6.102 1.00 0.37 O ATOM 343 CB ALA A 22 -3.923 -6.593 -8.971 1.00 0.48 C ATOM 0 H ALA A 22 -2.076 -5.008 -8.798 1.00 0.40 H new ATOM 0 HA ALA A 22 -4.043 -5.783 -6.984 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.722 -7.319 -8.822 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.333 -5.692 -9.427 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.164 -7.018 -9.627 1.00 0.48 H new ATOM 349 N GLN A 23 -1.611 -7.966 -7.238 1.00 0.36 N ATOM 350 CA GLN A 23 -1.081 -9.182 -6.625 1.00 0.39 C ATOM 351 C GLN A 23 -0.835 -8.987 -5.131 1.00 0.34 C ATOM 352 O GLN A 23 -1.008 -9.916 -4.342 1.00 0.42 O ATOM 353 CB GLN A 23 0.205 -9.632 -7.327 1.00 0.49 C ATOM 354 CG GLN A 23 1.414 -8.752 -7.054 1.00 0.96 C ATOM 355 CD GLN A 23 2.713 -9.531 -7.061 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.754 -10.697 -6.669 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.786 -8.887 -7.507 1.00 2.10 N ATOM 0 H GLN A 23 -0.984 -7.516 -7.905 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.830 -9.965 -6.744 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.436 -10.651 -7.016 1.00 0.49 H new ATOM 0 HB3 GLN A 23 0.027 -9.659 -8.402 1.00 0.49 H new ATOM 0 HG2 GLN A 23 1.463 -7.964 -7.806 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.293 -8.263 -6.087 1.00 0.96 H new ATOM 0 HE21 GLN A 23 3.706 -7.920 -7.822 1.00 2.10 H new ATOM 0 HE22 GLN A 23 4.690 -9.359 -7.534 1.00 2.10 H new ATOM 366 N LEU A 24 -0.433 -7.780 -4.750 1.00 0.29 N ATOM 367 CA LEU A 24 -0.177 -7.472 -3.346 1.00 0.30 C ATOM 368 C LEU A 24 -1.482 -7.241 -2.597 1.00 0.30 C ATOM 369 O LEU A 24 -1.626 -7.647 -1.445 1.00 0.31 O ATOM 370 CB LEU A 24 0.720 -6.238 -3.219 1.00 0.38 C ATOM 371 CG LEU A 24 1.162 -5.887 -1.793 1.00 0.43 C ATOM 372 CD1 LEU A 24 1.891 -7.052 -1.145 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.049 -4.651 -1.807 1.00 1.40 C ATOM 0 H LEU A 24 -0.277 -7.001 -5.390 1.00 0.29 H new ATOM 0 HA LEU A 24 0.334 -8.327 -2.903 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.610 -6.393 -3.829 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.192 -5.382 -3.638 1.00 0.38 H new ATOM 0 HG LEU A 24 0.270 -5.676 -1.203 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.193 -6.776 -0.135 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.229 -7.917 -1.102 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.775 -7.300 -1.733 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.356 -4.412 -0.789 1.00 1.40 H new ATOM 0 HD22 LEU A 24 2.932 -4.844 -2.417 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.495 -3.811 -2.226 1.00 1.40 H new ATOM 385 N CYS A 25 -2.434 -6.590 -3.258 1.00 0.34 N ATOM 386 CA CYS A 25 -3.726 -6.309 -2.647 1.00 0.39 C ATOM 387 C CYS A 25 -4.413 -7.608 -2.245 1.00 0.39 C ATOM 388 O CYS A 25 -4.838 -7.767 -1.100 1.00 0.42 O ATOM 389 CB CYS A 25 -4.614 -5.520 -3.610 1.00 0.47 C ATOM 390 SG CYS A 25 -3.975 -3.878 -4.020 1.00 0.55 S ATOM 0 H CYS A 25 -2.335 -6.248 -4.214 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.561 -5.707 -1.754 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.734 -6.092 -4.530 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.605 -5.414 -3.170 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.915 -3.998 -4.762 1.00 0.55 H new ATOM 396 N ALA A 26 -4.520 -8.533 -3.193 1.00 0.40 N ATOM 397 CA ALA A 26 -5.141 -9.823 -2.929 1.00 0.45 C ATOM 398 C ALA A 26 -4.371 -10.575 -1.849 1.00 0.42 C ATOM 399 O ALA A 26 -4.945 -11.361 -1.096 1.00 0.46 O ATOM 400 CB ALA A 26 -5.215 -10.646 -4.206 1.00 0.52 C ATOM 0 H ALA A 26 -4.185 -8.413 -4.149 1.00 0.40 H new ATOM 0 HA ALA A 26 -6.156 -9.653 -2.570 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -5.682 -11.608 -3.993 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -5.807 -10.112 -4.949 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -4.209 -10.809 -4.593 1.00 0.52 H new ATOM 406 N HIS A 27 -3.063 -10.328 -1.785 1.00 0.37 N ATOM 407 CA HIS A 27 -2.206 -10.975 -0.798 1.00 0.37 C ATOM 408 C HIS A 27 -2.645 -10.618 0.618 1.00 0.38 C ATOM 409 O HIS A 27 -3.072 -11.483 1.383 1.00 0.44 O ATOM 410 CB HIS A 27 -0.749 -10.561 -1.011 1.00 0.37 C ATOM 411 CG HIS A 27 0.240 -11.579 -0.533 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.122 -12.928 -0.794 1.00 0.62 N ATOM 413 CD2 HIS A 27 1.373 -11.437 0.196 1.00 0.55 C ATOM 414 CE1 HIS A 27 1.138 -13.571 -0.247 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.911 -12.689 0.359 1.00 0.68 N ATOM 0 H HIS A 27 -2.575 -9.683 -2.407 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.294 -12.054 -0.926 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.584 -10.377 -2.073 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.568 -9.620 -0.492 1.00 0.37 H new ATOM 0 HD1 HIS A 27 -0.632 -13.362 -1.326 1.00 0.62 H new ATOM 0 HD2 HIS A 27 1.777 -10.511 0.578 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.307 -14.637 -0.288 1.00 0.72 H new ATOM 424 N LEU A 28 -2.533 -9.338 0.961 1.00 0.37 N ATOM 425 CA LEU A 28 -2.922 -8.861 2.285 1.00 0.45 C ATOM 426 C LEU A 28 -4.392 -9.167 2.561 1.00 0.49 C ATOM 427 O LEU A 28 -4.761 -9.544 3.675 1.00 0.51 O ATOM 428 CB LEU A 28 -2.677 -7.352 2.411 1.00 0.51 C ATOM 429 CG LEU A 28 -1.210 -6.914 2.525 1.00 0.56 C ATOM 430 CD1 LEU A 28 -0.456 -7.777 3.527 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.530 -6.956 1.164 1.00 0.99 C ATOM 0 H LEU A 28 -2.176 -8.612 0.340 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.309 -9.382 3.020 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.116 -6.859 1.543 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.213 -6.989 3.288 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.194 -5.886 2.887 1.00 0.56 H new ATOM 0 HD11 LEU A 28 0.580 -7.444 3.587 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -0.923 -7.688 4.508 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -0.484 -8.818 3.205 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.509 -6.642 1.266 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.565 -7.972 0.771 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.046 -6.284 0.478 1.00 0.99 H new ATOM 443 N ASP A 29 -5.226 -9.004 1.539 1.00 0.60 N ATOM 444 CA ASP A 29 -6.657 -9.255 1.665 1.00 0.69 C ATOM 445 C ASP A 29 -6.929 -10.726 1.967 1.00 0.57 C ATOM 446 O ASP A 29 -7.965 -11.070 2.538 1.00 0.55 O ATOM 447 CB ASP A 29 -7.383 -8.839 0.384 1.00 0.94 C ATOM 448 CG ASP A 29 -8.811 -9.343 0.332 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.025 -10.473 -0.157 1.00 1.12 O ATOM 450 OD2 ASP A 29 -9.717 -8.610 0.781 1.00 1.20 O ATOM 0 H ASP A 29 -4.934 -8.698 0.611 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.033 -8.659 2.497 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.383 -7.752 0.308 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -6.836 -9.219 -0.479 1.00 0.94 H new ATOM 455 N ALA A 30 -5.995 -11.591 1.585 1.00 0.56 N ATOM 456 CA ALA A 30 -6.141 -13.022 1.821 1.00 0.58 C ATOM 457 C ALA A 30 -6.080 -13.325 3.312 1.00 0.46 C ATOM 458 O ALA A 30 -6.717 -14.261 3.795 1.00 0.54 O ATOM 459 CB ALA A 30 -5.063 -13.796 1.075 1.00 0.68 C ATOM 0 H ALA A 30 -5.131 -11.326 1.112 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.115 -13.337 1.445 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.186 -14.863 1.262 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.150 -13.602 0.006 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.080 -13.478 1.423 1.00 0.68 H new ATOM 465 N LEU A 31 -5.305 -12.521 4.035 1.00 0.37 N ATOM 466 CA LEU A 31 -5.161 -12.683 5.476 1.00 0.40 C ATOM 467 C LEU A 31 -6.429 -12.239 6.197 1.00 0.40 C ATOM 468 O LEU A 31 -6.496 -12.264 7.426 1.00 0.45 O ATOM 469 CB LEU A 31 -3.967 -11.871 5.979 1.00 0.45 C ATOM 470 CG LEU A 31 -2.693 -12.679 6.223 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.953 -12.915 4.917 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.800 -11.965 7.224 1.00 1.16 C ATOM 0 H LEU A 31 -4.766 -11.749 3.643 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.992 -13.739 5.688 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.749 -11.087 5.254 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.249 -11.376 6.908 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.970 -13.648 6.637 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -1.049 -13.492 5.110 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.595 -13.466 4.230 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.684 -11.957 4.473 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.896 -12.552 7.388 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.530 -10.983 6.835 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.333 -11.847 8.168 1.00 1.16 H new ATOM 484 N ASP A 32 -7.432 -11.832 5.420 1.00 0.40 N ATOM 485 CA ASP A 32 -8.700 -11.374 5.975 1.00 0.46 C ATOM 486 C ASP A 32 -8.479 -10.189 6.910 1.00 0.46 C ATOM 487 O ASP A 32 -9.034 -10.137 8.007 1.00 0.57 O ATOM 488 CB ASP A 32 -9.401 -12.512 6.722 1.00 0.52 C ATOM 489 CG ASP A 32 -10.912 -12.419 6.634 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.416 -11.814 5.664 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.593 -12.953 7.535 1.00 2.03 O ATOM 0 H ASP A 32 -7.388 -11.811 4.401 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.337 -11.053 5.151 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.074 -13.467 6.312 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.099 -12.495 7.769 1.00 0.52 H new ATOM 496 N VAL A 33 -7.666 -9.238 6.461 1.00 0.42 N ATOM 497 CA VAL A 33 -7.363 -8.053 7.255 1.00 0.43 C ATOM 498 C VAL A 33 -7.459 -6.783 6.415 1.00 0.42 C ATOM 499 O VAL A 33 -6.727 -5.819 6.643 1.00 0.52 O ATOM 500 CB VAL A 33 -5.955 -8.140 7.875 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.867 -9.305 8.847 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.896 -8.264 6.788 1.00 0.50 C ATOM 0 H VAL A 33 -7.205 -9.265 5.551 1.00 0.42 H new ATOM 0 HA VAL A 33 -8.104 -8.011 8.053 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.769 -7.220 8.429 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.865 -9.348 9.273 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.596 -9.168 9.646 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -6.077 -10.235 8.320 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.909 -8.324 7.247 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -5.079 -9.165 6.202 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.940 -7.392 6.136 1.00 0.50 H new ATOM 512 N TRP A 34 -8.363 -6.783 5.441 1.00 0.39 N ATOM 513 CA TRP A 34 -8.546 -5.624 4.577 1.00 0.38 C ATOM 514 C TRP A 34 -9.017 -4.422 5.388 1.00 0.33 C ATOM 515 O TRP A 34 -8.611 -3.286 5.132 1.00 0.34 O ATOM 516 CB TRP A 34 -9.546 -5.938 3.459 1.00 0.40 C ATOM 517 CG TRP A 34 -10.951 -6.127 3.944 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.487 -7.260 4.486 1.00 0.47 C ATOM 519 CD2 TRP A 34 -12.002 -5.153 3.929 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.805 -7.050 4.810 1.00 0.50 N ATOM 521 CE2 TRP A 34 -13.145 -5.766 4.477 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.087 -3.824 3.505 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.357 -5.094 4.613 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.291 -3.158 3.641 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.411 -3.793 4.190 1.00 0.50 C ATOM 0 H TRP A 34 -8.978 -7.569 5.231 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.586 -5.381 4.123 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.529 -5.128 2.730 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.225 -6.841 2.940 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.952 -8.186 4.638 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.429 -7.739 5.230 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.228 -3.327 3.079 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.223 -5.581 5.037 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.369 -2.130 3.318 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.337 -3.245 4.282 1.00 0.50 H new ATOM 536 N GLN A 35 -9.877 -4.682 6.368 1.00 0.32 N ATOM 537 CA GLN A 35 -10.405 -3.630 7.229 1.00 0.33 C ATOM 538 C GLN A 35 -9.294 -3.011 8.073 1.00 0.32 C ATOM 539 O GLN A 35 -9.406 -1.871 8.526 1.00 0.35 O ATOM 540 CB GLN A 35 -11.499 -4.190 8.139 1.00 0.38 C ATOM 541 CG GLN A 35 -12.792 -3.392 8.100 1.00 1.12 C ATOM 542 CD GLN A 35 -12.977 -2.527 9.330 1.00 1.61 C ATOM 543 OE1 GLN A 35 -13.033 -3.027 10.453 1.00 2.15 O ATOM 544 NE2 GLN A 35 -13.074 -1.218 9.124 1.00 2.32 N ATOM 0 H GLN A 35 -10.224 -5.616 6.586 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.831 -2.853 6.594 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.709 -5.220 7.849 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -11.129 -4.216 9.164 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.799 -2.761 7.211 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -13.635 -4.077 8.011 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -13.022 -0.846 8.176 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -13.200 -0.585 9.914 1.00 2.32 H new ATOM 553 N GLN A 36 -8.225 -3.773 8.282 1.00 0.33 N ATOM 554 CA GLN A 36 -7.092 -3.310 9.076 1.00 0.38 C ATOM 555 C GLN A 36 -6.304 -2.241 8.332 1.00 0.37 C ATOM 556 O GLN A 36 -5.872 -1.258 8.929 1.00 0.46 O ATOM 557 CB GLN A 36 -6.188 -4.496 9.441 1.00 0.45 C ATOM 558 CG GLN A 36 -4.725 -4.129 9.656 1.00 1.54 C ATOM 559 CD GLN A 36 -3.915 -4.142 8.371 1.00 2.38 C ATOM 560 OE1 GLN A 36 -4.134 -5.151 7.535 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -3.098 -3.253 8.133 1.00 2.41 N flip ATOM 0 H GLN A 36 -8.120 -4.717 7.911 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.473 -2.863 9.994 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -6.570 -4.963 10.349 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -6.250 -5.242 8.649 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -4.667 -3.138 10.106 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -4.281 -4.827 10.366 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -2.960 -2.495 8.802 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -2.559 -3.274 7.267 1.00 2.41 H new ATOM 570 N LEU A 37 -6.117 -2.434 7.032 1.00 0.37 N ATOM 571 CA LEU A 37 -5.379 -1.473 6.220 1.00 0.40 C ATOM 572 C LEU A 37 -6.058 -0.107 6.252 1.00 0.38 C ATOM 573 O LEU A 37 -5.433 0.900 6.585 1.00 0.42 O ATOM 574 CB LEU A 37 -5.262 -1.971 4.777 1.00 0.43 C ATOM 575 CG LEU A 37 -4.269 -3.116 4.568 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.727 -4.023 3.437 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.878 -2.569 4.286 1.00 0.65 C ATOM 0 H LEU A 37 -6.465 -3.244 6.519 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.377 -1.371 6.638 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.246 -2.297 4.440 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -4.969 -1.135 4.142 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.228 -3.707 5.483 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.007 -4.831 3.304 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.703 -4.443 3.680 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.799 -3.446 2.515 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.184 -3.397 4.140 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.904 -1.954 3.386 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.547 -1.963 5.130 1.00 0.65 H new ATOM 589 N ALA A 38 -7.341 -0.083 5.899 1.00 0.36 N ATOM 590 CA ALA A 38 -8.116 1.154 5.892 1.00 0.37 C ATOM 591 C ALA A 38 -7.982 1.902 7.216 1.00 0.36 C ATOM 592 O ALA A 38 -7.527 3.045 7.253 1.00 0.41 O ATOM 593 CB ALA A 38 -9.580 0.855 5.603 1.00 0.39 C ATOM 0 H ALA A 38 -7.867 -0.909 5.613 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.719 1.794 5.104 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.148 1.785 5.600 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.668 0.374 4.629 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.975 0.191 6.372 1.00 0.39 H new ATOM 599 N THR A 39 -8.385 1.246 8.300 1.00 0.33 N ATOM 600 CA THR A 39 -8.320 1.843 9.630 1.00 0.36 C ATOM 601 C THR A 39 -6.888 2.206 10.014 1.00 0.37 C ATOM 602 O THR A 39 -6.661 3.186 10.724 1.00 0.40 O ATOM 603 CB THR A 39 -8.896 0.896 10.698 1.00 0.39 C ATOM 604 OG1 THR A 39 -10.056 0.228 10.187 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.260 1.663 11.960 1.00 0.51 C ATOM 0 H THR A 39 -8.761 0.298 8.283 1.00 0.33 H new ATOM 0 HA THR A 39 -8.920 2.752 9.591 1.00 0.36 H new ATOM 0 HB THR A 39 -8.134 0.158 10.947 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.781 -0.573 9.694 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.665 0.974 12.701 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.369 2.146 12.362 1.00 0.51 H new ATOM 0 HG23 THR A 39 -10.007 2.420 11.723 1.00 0.51 H new ATOM 613 N ALA A 40 -5.927 1.412 9.548 1.00 0.38 N ATOM 614 CA ALA A 40 -4.519 1.662 9.848 1.00 0.43 C ATOM 615 C ALA A 40 -4.110 3.070 9.433 1.00 0.42 C ATOM 616 O ALA A 40 -3.291 3.708 10.093 1.00 0.47 O ATOM 617 CB ALA A 40 -3.632 0.635 9.160 1.00 0.47 C ATOM 0 H ALA A 40 -6.096 0.593 8.964 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.389 1.572 10.926 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.588 0.839 9.397 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.894 -0.364 9.509 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.778 0.693 8.081 1.00 0.47 H new ATOM 623 N VAL A 41 -4.684 3.549 8.334 1.00 0.38 N ATOM 624 CA VAL A 41 -4.382 4.885 7.836 1.00 0.40 C ATOM 625 C VAL A 41 -5.525 5.846 8.136 1.00 0.41 C ATOM 626 O VAL A 41 -5.492 7.011 7.736 1.00 0.47 O ATOM 627 CB VAL A 41 -4.112 4.877 6.318 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.901 4.014 5.995 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.337 4.393 5.556 1.00 0.45 C ATOM 0 H VAL A 41 -5.360 3.032 7.772 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.481 5.220 8.349 1.00 0.40 H new ATOM 0 HB VAL A 41 -3.898 5.898 6.003 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.726 4.021 4.919 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.025 4.410 6.508 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.084 2.992 6.327 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.125 4.395 4.487 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.587 3.381 5.874 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.178 5.056 5.760 1.00 0.45 H new ATOM 639 N LYS A 42 -6.536 5.345 8.844 1.00 0.38 N ATOM 640 CA LYS A 42 -7.701 6.146 9.209 1.00 0.41 C ATOM 641 C LYS A 42 -8.424 6.658 7.968 1.00 0.43 C ATOM 642 O LYS A 42 -7.991 7.623 7.337 1.00 0.53 O ATOM 643 CB LYS A 42 -7.287 7.323 10.095 1.00 0.51 C ATOM 644 CG LYS A 42 -7.947 7.320 11.466 1.00 0.77 C ATOM 645 CD LYS A 42 -9.461 7.448 11.365 1.00 1.05 C ATOM 646 CE LYS A 42 -9.875 8.822 10.865 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.373 9.911 11.749 1.00 2.14 N ATOM 0 H LYS A 42 -6.570 4.382 9.178 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.385 5.506 9.767 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.205 7.307 10.223 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.534 8.254 9.585 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -7.694 6.398 11.989 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.552 8.143 12.062 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.847 6.683 10.691 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.908 7.266 12.342 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -9.494 8.970 9.855 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.962 8.874 10.807 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -9.887 10.791 11.542 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -9.523 9.648 12.744 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -8.357 10.056 11.579 1.00 2.14 H new ATOM 661 N LEU A 43 -9.531 6.008 7.626 1.00 0.41 N ATOM 662 CA LEU A 43 -10.315 6.398 6.460 1.00 0.49 C ATOM 663 C LEU A 43 -11.781 6.584 6.828 1.00 0.49 C ATOM 664 O LEU A 43 -12.268 5.994 7.792 1.00 0.52 O ATOM 665 CB LEU A 43 -10.188 5.346 5.356 1.00 0.56 C ATOM 666 CG LEU A 43 -9.006 5.542 4.405 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.648 4.229 3.726 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.326 6.611 3.372 1.00 1.03 C ATOM 0 H LEU A 43 -9.905 5.210 8.139 1.00 0.41 H new ATOM 0 HA LEU A 43 -9.925 7.348 6.095 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.102 4.364 5.820 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.108 5.343 4.771 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.145 5.874 4.985 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -7.805 4.386 3.053 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.377 3.491 4.481 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.505 3.868 3.157 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -8.474 6.738 2.704 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.199 6.309 2.794 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.534 7.554 3.877 1.00 1.03 H new ATOM 680 N TYR A 44 -12.480 7.408 6.054 1.00 0.50 N ATOM 681 CA TYR A 44 -13.894 7.664 6.299 1.00 0.53 C ATOM 682 C TYR A 44 -14.723 6.419 5.985 1.00 0.48 C ATOM 683 O TYR A 44 -14.520 5.783 4.951 1.00 0.48 O ATOM 684 CB TYR A 44 -14.378 8.838 5.448 1.00 0.60 C ATOM 685 CG TYR A 44 -13.494 10.061 5.538 1.00 0.74 C ATOM 686 CD1 TYR A 44 -13.621 10.957 6.594 1.00 0.94 C ATOM 687 CD2 TYR A 44 -12.533 10.321 4.569 1.00 0.91 C ATOM 688 CE1 TYR A 44 -12.815 12.076 6.681 1.00 1.14 C ATOM 689 CE2 TYR A 44 -11.723 11.438 4.649 1.00 1.10 C ATOM 690 CZ TYR A 44 -11.866 12.311 5.703 1.00 1.16 C ATOM 691 OH TYR A 44 -11.064 13.426 5.790 1.00 1.41 O ATOM 0 H TYR A 44 -12.092 7.908 5.254 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.020 7.916 7.352 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.438 8.520 4.407 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.388 9.107 5.758 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -14.362 10.775 7.359 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.417 9.639 3.740 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -12.925 12.763 7.507 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -10.981 11.625 3.887 1.00 1.10 H new ATOM 0 HH TYR A 44 -10.449 13.447 5.027 1.00 1.41 H new ATOM 701 N PRO A 45 -15.666 6.050 6.872 1.00 0.62 N ATOM 702 CA PRO A 45 -16.519 4.871 6.670 1.00 0.65 C ATOM 703 C PRO A 45 -17.284 4.926 5.351 1.00 0.65 C ATOM 704 O PRO A 45 -17.765 3.905 4.859 1.00 0.70 O ATOM 705 CB PRO A 45 -17.488 4.920 7.857 1.00 0.86 C ATOM 706 CG PRO A 45 -16.770 5.712 8.895 1.00 1.32 C ATOM 707 CD PRO A 45 -15.976 6.738 8.141 1.00 0.87 C ATOM 0 HA PRO A 45 -15.935 3.952 6.620 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.431 5.392 7.580 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.726 3.919 8.216 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.472 6.186 9.582 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.119 5.075 9.494 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.549 7.651 7.976 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.071 7.022 8.678 1.00 0.87 H new ATOM 715 N ASP A 46 -17.393 6.124 4.783 1.00 0.67 N ATOM 716 CA ASP A 46 -18.094 6.308 3.518 1.00 0.74 C ATOM 717 C ASP A 46 -17.284 5.728 2.363 1.00 0.69 C ATOM 718 O ASP A 46 -17.844 5.246 1.379 1.00 0.76 O ATOM 719 CB ASP A 46 -18.367 7.793 3.270 1.00 0.89 C ATOM 720 CG ASP A 46 -19.336 8.378 4.279 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.269 7.659 4.692 1.00 1.77 O ATOM 722 OD2 ASP A 46 -19.161 9.557 4.655 1.00 2.01 O ATOM 0 H ASP A 46 -17.005 6.980 5.179 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.045 5.779 3.577 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -17.428 8.344 3.310 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -18.770 7.923 2.266 1.00 0.89 H new ATOM 727 N GLN A 47 -15.962 5.778 2.494 1.00 0.63 N ATOM 728 CA GLN A 47 -15.069 5.257 1.465 1.00 0.68 C ATOM 729 C GLN A 47 -14.979 3.736 1.547 1.00 0.61 C ATOM 730 O GLN A 47 -14.828 3.057 0.532 1.00 0.65 O ATOM 731 CB GLN A 47 -13.674 5.870 1.612 1.00 0.75 C ATOM 732 CG GLN A 47 -13.684 7.385 1.736 1.00 0.78 C ATOM 733 CD GLN A 47 -13.069 8.073 0.534 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.462 7.827 -0.606 1.00 1.94 O ATOM 735 NE2 GLN A 47 -12.098 8.945 0.784 1.00 1.56 N ATOM 0 H GLN A 47 -15.485 6.175 3.304 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.477 5.529 0.491 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.191 5.445 2.492 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.070 5.589 0.749 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.711 7.729 1.861 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.139 7.676 2.634 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.803 9.119 1.745 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -11.647 9.441 0.015 1.00 1.56 H new ATOM 744 N VAL A 48 -15.073 3.208 2.764 1.00 0.57 N ATOM 745 CA VAL A 48 -15.003 1.768 2.984 1.00 0.57 C ATOM 746 C VAL A 48 -16.181 1.055 2.327 1.00 0.55 C ATOM 747 O VAL A 48 -16.058 -0.085 1.880 1.00 0.51 O ATOM 748 CB VAL A 48 -14.986 1.428 4.487 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.561 -0.016 4.705 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.068 2.380 5.240 1.00 0.75 C ATOM 0 H VAL A 48 -15.198 3.758 3.614 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.073 1.424 2.531 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.996 1.548 4.878 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.555 -0.236 5.772 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.262 -0.682 4.201 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.561 -0.166 4.298 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -14.069 2.124 6.300 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -13.055 2.295 4.847 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.422 3.403 5.113 1.00 0.75 H new ATOM 760 N GLU A 49 -17.321 1.737 2.272 1.00 0.60 N ATOM 761 CA GLU A 49 -18.525 1.175 1.669 1.00 0.63 C ATOM 762 C GLU A 49 -18.288 0.829 0.203 1.00 0.57 C ATOM 763 O GLU A 49 -18.655 -0.252 -0.258 1.00 0.57 O ATOM 764 CB GLU A 49 -19.684 2.166 1.787 1.00 0.73 C ATOM 765 CG GLU A 49 -20.852 1.648 2.608 1.00 0.87 C ATOM 766 CD GLU A 49 -22.150 2.364 2.291 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.275 3.554 2.653 1.00 1.73 O ATOM 768 OE2 GLU A 49 -23.041 1.736 1.681 1.00 2.44 O ATOM 0 H GLU A 49 -17.436 2.682 2.639 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.778 0.260 2.204 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.317 3.088 2.237 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.038 2.418 0.787 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.976 0.581 2.424 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.626 1.765 3.668 1.00 0.87 H new ATOM 775 N GLN A 50 -17.673 1.757 -0.524 1.00 0.56 N ATOM 776 CA GLN A 50 -17.386 1.560 -1.941 1.00 0.55 C ATOM 777 C GLN A 50 -16.503 0.336 -2.160 1.00 0.48 C ATOM 778 O GLN A 50 -16.540 -0.285 -3.222 1.00 0.56 O ATOM 779 CB GLN A 50 -16.705 2.804 -2.519 1.00 0.59 C ATOM 780 CG GLN A 50 -17.670 3.937 -2.825 1.00 0.91 C ATOM 781 CD GLN A 50 -16.961 5.207 -3.256 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.318 6.306 -2.829 1.00 2.12 O ATOM 783 NE2 GLN A 50 -15.951 5.063 -4.107 1.00 1.46 N ATOM 0 H GLN A 50 -17.363 2.655 -0.154 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.332 1.394 -2.456 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -15.954 3.158 -1.813 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.179 2.529 -3.433 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.355 3.623 -3.612 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.273 4.144 -1.941 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.689 4.133 -4.435 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.437 5.882 -4.432 1.00 1.46 H new ATOM 792 N ILE A 51 -15.709 -0.006 -1.150 1.00 0.40 N ATOM 793 CA ILE A 51 -14.813 -1.154 -1.234 1.00 0.38 C ATOM 794 C ILE A 51 -15.565 -2.462 -1.006 1.00 0.41 C ATOM 795 O ILE A 51 -15.622 -3.319 -1.889 1.00 0.47 O ATOM 796 CB ILE A 51 -13.669 -1.050 -0.207 1.00 0.35 C ATOM 797 CG1 ILE A 51 -12.941 0.289 -0.351 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.696 -2.208 -0.376 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.153 0.684 0.878 1.00 0.42 C ATOM 0 H ILE A 51 -15.668 0.496 -0.263 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.393 -1.151 -2.240 1.00 0.38 H new ATOM 0 HB ILE A 51 -14.097 -1.103 0.794 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.265 0.236 -1.204 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.671 1.068 -0.571 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.894 -2.119 0.357 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.222 -3.151 -0.226 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.274 -2.185 -1.381 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.664 1.642 0.704 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.827 0.770 1.730 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.399 -0.075 1.087 1.00 0.42 H new ATOM 811 N SER A 52 -16.134 -2.610 0.186 1.00 0.43 N ATOM 812 CA SER A 52 -16.880 -3.814 0.546 1.00 0.50 C ATOM 813 C SER A 52 -17.997 -4.108 -0.454 1.00 0.52 C ATOM 814 O SER A 52 -18.575 -5.196 -0.443 1.00 0.59 O ATOM 815 CB SER A 52 -17.468 -3.668 1.951 1.00 0.57 C ATOM 816 OG SER A 52 -18.557 -2.762 1.957 1.00 1.42 O ATOM 0 H SER A 52 -16.093 -1.907 0.924 1.00 0.43 H new ATOM 0 HA SER A 52 -16.183 -4.652 0.526 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.799 -4.641 2.313 1.00 0.57 H new ATOM 0 HB3 SER A 52 -16.696 -3.318 2.637 1.00 0.57 H new ATOM 0 HG SER A 52 -18.916 -2.688 2.866 1.00 1.42 H new ATOM 822 N SER A 53 -18.300 -3.139 -1.313 1.00 0.54 N ATOM 823 CA SER A 53 -19.352 -3.302 -2.309 1.00 0.60 C ATOM 824 C SER A 53 -19.089 -4.518 -3.194 1.00 0.63 C ATOM 825 O SER A 53 -19.804 -5.517 -3.117 1.00 0.70 O ATOM 826 CB SER A 53 -19.464 -2.045 -3.173 1.00 0.68 C ATOM 827 OG SER A 53 -20.246 -1.054 -2.531 1.00 0.93 O ATOM 0 H SER A 53 -17.832 -2.233 -1.339 1.00 0.54 H new ATOM 0 HA SER A 53 -20.292 -3.459 -1.780 1.00 0.60 H new ATOM 0 HB2 SER A 53 -18.469 -1.651 -3.378 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.911 -2.299 -4.134 1.00 0.68 H new ATOM 0 HG SER A 53 -19.772 -0.726 -1.738 1.00 0.93 H new ATOM 833 N GLN A 54 -18.061 -4.430 -4.032 1.00 0.67 N ATOM 834 CA GLN A 54 -17.708 -5.525 -4.929 1.00 0.80 C ATOM 835 C GLN A 54 -17.303 -6.771 -4.145 1.00 0.81 C ATOM 836 O GLN A 54 -17.430 -7.894 -4.633 1.00 0.97 O ATOM 837 CB GLN A 54 -16.574 -5.100 -5.866 1.00 0.94 C ATOM 838 CG GLN A 54 -15.234 -4.918 -5.169 1.00 1.35 C ATOM 839 CD GLN A 54 -14.070 -4.901 -6.143 1.00 1.75 C ATOM 840 OE1 GLN A 54 -14.261 -4.834 -7.356 1.00 2.48 O ATOM 841 NE2 GLN A 54 -12.854 -4.964 -5.613 1.00 2.07 N ATOM 0 H GLN A 54 -17.457 -3.611 -4.109 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.588 -5.769 -5.524 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -16.465 -5.848 -6.651 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.849 -4.164 -6.353 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -15.245 -3.985 -4.605 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.090 -5.724 -4.450 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -12.741 -5.019 -4.601 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -12.033 -4.958 -6.218 1.00 2.07 H new ATOM 850 N LYS A 55 -16.818 -6.561 -2.925 1.00 0.68 N ATOM 851 CA LYS A 55 -16.389 -7.661 -2.065 1.00 0.73 C ATOM 852 C LYS A 55 -17.539 -8.623 -1.776 1.00 0.86 C ATOM 853 O LYS A 55 -17.326 -9.722 -1.266 1.00 1.12 O ATOM 854 CB LYS A 55 -15.826 -7.112 -0.752 1.00 0.65 C ATOM 855 CG LYS A 55 -15.009 -8.124 0.033 1.00 0.74 C ATOM 856 CD LYS A 55 -15.411 -8.148 1.500 1.00 0.76 C ATOM 857 CE LYS A 55 -16.751 -8.837 1.701 1.00 1.36 C ATOM 858 NZ LYS A 55 -17.455 -8.340 2.915 1.00 1.77 N ATOM 0 H LYS A 55 -16.712 -5.636 -2.508 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.610 -8.214 -2.591 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -15.202 -6.245 -0.969 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.651 -6.764 -0.131 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -15.144 -9.116 -0.399 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.950 -7.882 -0.051 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -14.645 -8.664 2.079 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -15.465 -7.128 1.880 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -17.378 -8.673 0.825 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -16.597 -9.913 1.786 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -18.364 -8.835 3.016 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -16.868 -8.519 3.755 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -17.625 -7.318 2.824 1.00 1.77 H new ATOM 872 N GLN A 56 -18.759 -8.204 -2.107 1.00 0.79 N ATOM 873 CA GLN A 56 -19.941 -9.030 -1.879 1.00 0.97 C ATOM 874 C GLN A 56 -19.870 -10.341 -2.663 1.00 1.12 C ATOM 875 O GLN A 56 -20.719 -11.216 -2.497 1.00 1.37 O ATOM 876 CB GLN A 56 -21.209 -8.259 -2.260 1.00 0.96 C ATOM 877 CG GLN A 56 -21.401 -8.092 -3.759 1.00 1.58 C ATOM 878 CD GLN A 56 -22.781 -8.522 -4.222 1.00 2.14 C ATOM 879 OE1 GLN A 56 -23.792 -7.959 -3.801 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.827 -9.523 -5.091 1.00 3.02 N ATOM 0 H GLN A 56 -18.954 -7.298 -2.534 1.00 0.79 H new ATOM 0 HA GLN A 56 -19.974 -9.275 -0.817 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -22.075 -8.777 -1.848 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -21.177 -7.273 -1.796 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.240 -7.048 -4.028 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.647 -8.677 -4.286 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.963 -9.960 -5.412 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -23.726 -9.856 -5.438 1.00 3.02 H new ATOM 944 N SER A 60 -11.021 -8.571 -4.312 1.00 0.87 N ATOM 945 CA SER A 60 -9.891 -8.013 -3.576 1.00 0.54 C ATOM 946 C SER A 60 -10.237 -6.645 -2.995 1.00 0.42 C ATOM 947 O SER A 60 -10.220 -5.637 -3.702 1.00 0.40 O ATOM 948 CB SER A 60 -8.668 -7.899 -4.489 1.00 0.77 C ATOM 949 OG SER A 60 -7.636 -7.150 -3.869 1.00 1.51 O ATOM 0 HA SER A 60 -9.660 -8.687 -2.751 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.301 -8.895 -4.736 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.954 -7.423 -5.427 1.00 0.77 H new ATOM 0 HG SER A 60 -6.860 -7.107 -4.466 1.00 1.51 H new ATOM 955 N ALA A 61 -10.553 -6.623 -1.705 1.00 0.38 N ATOM 956 CA ALA A 61 -10.904 -5.384 -1.020 1.00 0.33 C ATOM 957 C ALA A 61 -9.737 -4.399 -1.022 1.00 0.29 C ATOM 958 O ALA A 61 -9.929 -3.195 -1.186 1.00 0.27 O ATOM 959 CB ALA A 61 -11.340 -5.682 0.407 1.00 0.39 C ATOM 0 H ALA A 61 -10.573 -7.452 -1.111 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.732 -4.923 -1.558 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.600 -4.751 0.910 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.208 -6.341 0.392 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.525 -6.168 0.943 1.00 0.39 H new ATOM 965 N SER A 62 -8.528 -4.920 -0.840 1.00 0.33 N ATOM 966 CA SER A 62 -7.331 -4.089 -0.815 1.00 0.34 C ATOM 967 C SER A 62 -7.105 -3.416 -2.163 1.00 0.31 C ATOM 968 O SER A 62 -6.479 -2.358 -2.241 1.00 0.31 O ATOM 969 CB SER A 62 -6.109 -4.929 -0.440 1.00 0.42 C ATOM 970 OG SER A 62 -6.184 -5.366 0.905 1.00 0.66 O ATOM 0 H SER A 62 -8.352 -5.916 -0.707 1.00 0.33 H new ATOM 0 HA SER A 62 -7.475 -3.313 -0.063 1.00 0.34 H new ATOM 0 HB2 SER A 62 -6.040 -5.792 -1.103 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.202 -4.342 -0.585 1.00 0.42 H new ATOM 0 HG SER A 62 -5.392 -5.902 1.119 1.00 0.66 H new ATOM 976 N ASN A 63 -7.611 -4.036 -3.224 1.00 0.32 N ATOM 977 CA ASN A 63 -7.466 -3.490 -4.567 1.00 0.32 C ATOM 978 C ASN A 63 -8.131 -2.123 -4.663 1.00 0.31 C ATOM 979 O ASN A 63 -7.514 -1.148 -5.094 1.00 0.33 O ATOM 980 CB ASN A 63 -8.072 -4.446 -5.597 1.00 0.35 C ATOM 981 CG ASN A 63 -7.666 -4.104 -7.017 1.00 0.92 C ATOM 982 OD1 ASN A 63 -7.204 -2.997 -7.295 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.836 -5.056 -7.926 1.00 1.79 N ATOM 0 H ASN A 63 -8.125 -4.916 -3.179 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.403 -3.374 -4.779 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.760 -5.465 -5.369 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -9.159 -4.420 -5.517 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -7.580 -4.884 -8.898 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -8.222 -5.959 -7.652 1.00 1.79 H new ATOM 990 N GLU A 64 -9.396 -2.058 -4.257 1.00 0.31 N ATOM 991 CA GLU A 64 -10.146 -0.808 -4.288 1.00 0.33 C ATOM 992 C GLU A 64 -9.551 0.199 -3.309 1.00 0.31 C ATOM 993 O GLU A 64 -9.451 1.388 -3.611 1.00 0.34 O ATOM 994 CB GLU A 64 -11.616 -1.059 -3.950 1.00 0.37 C ATOM 995 CG GLU A 64 -12.581 -0.260 -4.811 1.00 0.87 C ATOM 996 CD GLU A 64 -13.581 -1.140 -5.536 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.187 -1.793 -6.526 1.00 1.66 O ATOM 998 OE2 GLU A 64 -14.755 -1.177 -5.114 1.00 1.72 O ATOM 0 H GLU A 64 -9.922 -2.857 -3.903 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.081 -0.396 -5.295 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.831 -2.121 -4.067 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.787 -0.813 -2.902 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -13.117 0.453 -4.184 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -12.016 0.320 -5.541 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.163 -0.289 -2.134 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.572 0.562 -1.108 1.00 0.29 C ATOM 1007 C PHE A 65 -7.336 1.279 -1.648 1.00 0.30 C ATOM 1008 O PHE A 65 -7.143 2.469 -1.405 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.213 -0.277 0.128 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.070 0.274 0.936 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.212 1.461 1.636 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.857 -0.394 0.994 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.167 1.973 2.380 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.807 0.114 1.738 1.00 0.42 C ATOM 1015 CZ PHE A 65 -4.952 1.284 2.426 1.00 0.48 C ATOM 0 H PHE A 65 -9.248 -1.270 -1.869 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.302 1.318 -0.819 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.092 -0.355 0.768 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.962 -1.288 -0.193 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.151 1.993 1.600 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.730 -1.320 0.453 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -6.288 2.899 2.922 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.868 -0.418 1.775 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.129 1.677 3.005 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.504 0.544 -2.379 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.291 1.111 -2.962 1.00 0.35 C ATOM 1027 C LEU A 66 -5.634 2.181 -3.993 1.00 0.37 C ATOM 1028 O LEU A 66 -4.916 3.171 -4.139 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.450 0.009 -3.614 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.132 -0.322 -2.905 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.251 0.914 -2.804 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.397 -0.905 -1.524 1.00 0.61 C ATOM 0 H LEU A 66 -6.647 -0.445 -2.582 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.714 1.574 -2.161 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.051 -0.899 -3.668 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.227 0.305 -4.639 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.605 -1.070 -3.497 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.321 0.657 -2.298 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.029 1.285 -3.804 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.771 1.686 -2.237 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.449 -1.133 -1.037 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.948 -0.182 -0.923 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.984 -1.818 -1.621 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.735 1.973 -4.710 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.177 2.914 -5.733 1.00 0.42 C ATOM 1046 C ASN A 67 -7.531 4.271 -5.129 1.00 0.41 C ATOM 1047 O ASN A 67 -7.000 5.302 -5.542 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.384 2.350 -6.485 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.077 2.063 -7.941 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.390 2.838 -8.607 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.588 0.946 -8.445 1.00 1.48 N ATOM 0 H ASN A 67 -7.339 1.158 -4.600 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.351 3.058 -6.430 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.715 1.432 -5.999 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.210 3.059 -6.424 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.417 0.702 -9.420 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -9.152 0.332 -7.857 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.433 4.263 -4.152 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.867 5.493 -3.497 1.00 0.35 C ATOM 1060 C ILE A 68 -7.731 6.143 -2.711 1.00 0.35 C ATOM 1061 O ILE A 68 -7.523 7.354 -2.791 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.051 5.234 -2.544 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.127 4.402 -3.244 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.633 6.550 -2.048 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -12.023 3.645 -2.287 1.00 0.52 C ATOM 0 H ILE A 68 -8.878 3.417 -3.796 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.184 6.171 -4.290 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.686 4.673 -1.683 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.740 5.060 -3.860 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.646 3.692 -3.917 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.468 6.349 -1.377 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.865 7.109 -1.514 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.984 7.136 -2.898 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.762 3.077 -2.852 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.421 2.962 -1.688 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.532 4.350 -1.630 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.001 5.332 -1.953 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.890 5.828 -1.148 1.00 0.38 C ATOM 1079 C TRP A 69 -4.707 6.223 -2.031 1.00 0.45 C ATOM 1080 O TRP A 69 -3.790 6.911 -1.584 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.458 4.765 -0.135 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.437 5.251 0.850 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.536 6.342 1.664 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.162 4.659 1.123 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.399 6.465 2.427 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.541 5.444 2.113 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.485 3.541 0.627 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.276 5.146 2.615 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.229 3.248 1.126 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.638 4.046 2.111 1.00 0.63 C ATOM 0 H TRP A 69 -7.159 4.327 -1.879 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.227 6.716 -0.613 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.336 4.415 0.408 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.053 3.907 -0.672 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.383 7.011 1.703 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.223 7.197 3.115 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.935 2.918 -0.132 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.816 5.761 3.374 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.695 2.388 0.749 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.343 3.788 2.482 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.740 5.786 -3.286 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.665 6.102 -4.209 1.00 0.74 C ATOM 1103 C GLY A 70 -4.125 6.967 -5.367 1.00 0.86 C ATOM 1104 O GLY A 70 -4.653 6.461 -6.357 1.00 1.08 O ATOM 0 H GLY A 70 -5.491 5.219 -3.680 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.868 6.616 -3.671 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.241 5.176 -4.598 1.00 0.74 H new ATOM 1108 N GLY A 71 -3.924 8.275 -5.239 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.327 9.195 -6.288 1.00 1.16 C ATOM 1110 C GLY A 71 -5.156 10.347 -5.755 1.00 1.26 C ATOM 1111 O GLY A 71 -4.942 11.500 -6.131 1.00 1.54 O ATOM 0 H GLY A 71 -3.489 8.715 -4.428 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.440 9.588 -6.784 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -4.901 8.655 -7.041 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.104 10.032 -4.880 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.970 11.047 -4.289 1.00 1.31 C ATOM 1117 C GLN A 72 -6.207 11.876 -3.261 1.00 1.31 C ATOM 1118 O GLN A 72 -6.540 13.035 -3.014 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.186 10.392 -3.632 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.103 9.683 -4.616 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.377 10.457 -4.891 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.522 11.607 -4.475 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.310 9.829 -5.595 1.00 1.99 N ATOM 0 H GLN A 72 -6.293 9.081 -4.563 1.00 1.15 H new ATOM 0 HA GLN A 72 -7.311 11.709 -5.085 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.843 9.675 -2.887 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.756 11.155 -3.102 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.570 9.524 -5.553 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -9.358 8.699 -4.224 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -11.148 8.876 -5.920 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.189 10.299 -5.811 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.184 11.272 -2.664 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.372 11.952 -1.662 1.00 1.16 C ATOM 1134 C TYR A 73 -2.952 12.177 -2.172 1.00 1.24 C ATOM 1135 O TYR A 73 -2.176 12.917 -1.566 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.334 11.140 -0.366 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.694 10.941 0.263 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -6.302 11.959 0.987 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.369 9.734 0.135 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.544 11.781 1.565 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.612 9.548 0.710 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.194 10.574 1.424 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.431 10.392 1.999 1.00 1.38 O ATOM 0 H TYR A 73 -4.898 10.312 -2.857 1.00 1.08 H new ATOM 0 HA TYR A 73 -4.827 12.922 -1.463 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -3.891 10.165 -0.571 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.682 11.642 0.349 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.795 12.906 1.100 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.915 8.928 -0.423 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -8.003 12.583 2.124 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.125 8.604 0.601 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.752 9.487 1.805 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.620 11.531 -3.286 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.295 11.658 -3.883 1.00 1.34 C ATOM 1155 C ASN A 74 -0.209 11.245 -2.894 1.00 0.95 C ATOM 1156 O ASN A 74 0.714 12.011 -2.615 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.058 13.095 -4.353 1.00 1.91 C ATOM 1158 CG ASN A 74 -0.038 13.180 -5.471 1.00 2.53 C ATOM 1159 OD1 ASN A 74 0.666 12.212 -5.761 1.00 3.01 O ATOM 1160 ND2 ASN A 74 0.048 14.343 -6.105 1.00 3.10 N ATOM 0 H ASN A 74 -3.252 10.913 -3.794 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.247 10.991 -4.744 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -2.001 13.523 -4.693 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.720 13.698 -3.510 1.00 1.91 H new ATOM 0 HD21 ASN A 74 0.717 14.461 -6.866 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -0.555 15.119 -5.832 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.326 10.031 -2.369 1.00 0.64 N ATOM 1168 CA HIS A 75 0.647 9.516 -1.413 1.00 0.65 C ATOM 1169 C HIS A 75 1.920 9.067 -2.124 1.00 0.56 C ATOM 1170 O HIS A 75 2.162 9.441 -3.272 1.00 1.01 O ATOM 1171 CB HIS A 75 0.045 8.353 -0.618 1.00 1.06 C ATOM 1172 CG HIS A 75 0.052 8.576 0.863 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -1.072 8.436 1.650 1.00 2.23 N ATOM 1174 CD2 HIS A 75 1.053 8.934 1.702 1.00 2.43 C ATOM 1175 CE1 HIS A 75 -0.763 8.699 2.907 1.00 2.72 C ATOM 1176 NE2 HIS A 75 0.520 9.002 2.965 1.00 2.80 N ATOM 0 H HIS A 75 -1.084 9.385 -2.589 1.00 0.64 H new ATOM 0 HA HIS A 75 0.906 10.318 -0.722 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.981 8.190 -0.948 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.601 7.443 -0.843 1.00 1.06 H new ATOM 0 HD1 HIS A 75 -1.998 8.171 1.314 1.00 2.23 H new ATOM 0 HD2 HIS A 75 2.079 9.130 1.428 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -1.444 8.671 3.745 1.00 2.72 H new ATOM 1185 N THR A 76 2.730 8.265 -1.441 1.00 0.64 N ATOM 1186 CA THR A 76 3.976 7.773 -2.016 1.00 0.64 C ATOM 1187 C THR A 76 4.301 6.372 -1.510 1.00 0.51 C ATOM 1188 O THR A 76 3.738 5.913 -0.516 1.00 0.43 O ATOM 1189 CB THR A 76 5.153 8.711 -1.688 1.00 0.89 C ATOM 1190 OG1 THR A 76 4.840 9.510 -0.541 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.469 9.615 -2.870 1.00 1.07 C ATOM 0 H THR A 76 2.546 7.943 -0.491 1.00 0.64 H new ATOM 0 HA THR A 76 3.835 7.741 -3.096 1.00 0.64 H new ATOM 0 HB THR A 76 6.028 8.098 -1.474 1.00 0.89 H new ATOM 0 HG1 THR A 76 5.594 10.102 -0.339 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.303 10.269 -2.615 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.736 9.005 -3.733 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.594 10.220 -3.110 1.00 1.07 H new ATOM 1199 N VAL A 77 5.216 5.698 -2.202 1.00 0.53 N ATOM 1200 CA VAL A 77 5.619 4.346 -1.831 1.00 0.49 C ATOM 1201 C VAL A 77 6.264 4.317 -0.450 1.00 0.40 C ATOM 1202 O VAL A 77 6.350 3.264 0.183 1.00 0.39 O ATOM 1203 CB VAL A 77 6.604 3.750 -2.854 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.861 3.253 -4.084 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.665 4.771 -3.240 1.00 1.25 C ATOM 0 H VAL A 77 5.693 6.068 -3.024 1.00 0.53 H new ATOM 0 HA VAL A 77 4.710 3.744 -1.816 1.00 0.49 H new ATOM 0 HB VAL A 77 7.105 2.900 -2.391 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.573 2.835 -4.795 1.00 1.22 H new ATOM 0 HG12 VAL A 77 5.147 2.483 -3.791 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.329 4.084 -4.548 1.00 1.22 H new ATOM 0 HG21 VAL A 77 8.350 4.328 -3.963 1.00 1.25 H new ATOM 0 HG22 VAL A 77 7.186 5.645 -3.682 1.00 1.25 H new ATOM 0 HG23 VAL A 77 8.220 5.072 -2.352 1.00 1.25 H new ATOM 1215 N GLN A 78 6.717 5.478 0.013 1.00 0.42 N ATOM 1216 CA GLN A 78 7.350 5.584 1.322 1.00 0.42 C ATOM 1217 C GLN A 78 6.403 5.115 2.420 1.00 0.37 C ATOM 1218 O GLN A 78 6.680 4.138 3.116 1.00 0.35 O ATOM 1219 CB GLN A 78 7.782 7.027 1.589 1.00 0.54 C ATOM 1220 CG GLN A 78 9.096 7.137 2.345 1.00 1.05 C ATOM 1221 CD GLN A 78 9.345 8.532 2.881 1.00 1.49 C ATOM 1222 OE1 GLN A 78 9.277 8.769 4.087 1.00 2.24 O ATOM 1223 NE2 GLN A 78 9.637 9.467 1.983 1.00 1.87 N ATOM 0 H GLN A 78 6.657 6.358 -0.499 1.00 0.42 H new ATOM 0 HA GLN A 78 8.231 4.943 1.325 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.874 7.552 0.638 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.001 7.532 2.158 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.095 6.428 3.173 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.916 6.854 1.685 1.00 1.05 H new ATOM 0 HE21 GLN A 78 9.683 9.227 0.993 1.00 1.87 H new ATOM 0 HE22 GLN A 78 9.815 10.425 2.284 1.00 1.87 H new ATOM 1232 N THR A 79 5.287 5.821 2.571 1.00 0.42 N ATOM 1233 CA THR A 79 4.294 5.480 3.583 1.00 0.45 C ATOM 1234 C THR A 79 3.831 4.033 3.438 1.00 0.39 C ATOM 1235 O THR A 79 3.542 3.364 4.428 1.00 0.40 O ATOM 1236 CB THR A 79 3.071 6.411 3.509 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.492 7.751 3.230 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.290 6.381 4.813 1.00 0.71 C ATOM 0 H THR A 79 5.048 6.634 2.004 1.00 0.42 H new ATOM 0 HA THR A 79 4.777 5.606 4.552 1.00 0.45 H new ATOM 0 HB THR A 79 2.422 6.060 2.707 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.870 8.383 3.647 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.430 7.047 4.737 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.947 5.365 5.008 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.933 6.710 5.630 1.00 0.71 H new ATOM 1246 N LEU A 80 3.761 3.559 2.196 1.00 0.35 N ATOM 1247 CA LEU A 80 3.332 2.191 1.922 1.00 0.34 C ATOM 1248 C LEU A 80 4.274 1.187 2.578 1.00 0.32 C ATOM 1249 O LEU A 80 3.833 0.204 3.173 1.00 0.34 O ATOM 1250 CB LEU A 80 3.270 1.943 0.411 1.00 0.37 C ATOM 1251 CG LEU A 80 3.032 0.487 -0.003 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.696 -0.011 0.528 1.00 0.47 C ATOM 1253 CD2 LEU A 80 3.088 0.352 -1.518 1.00 0.50 C ATOM 0 H LEU A 80 3.996 4.102 1.365 1.00 0.35 H new ATOM 0 HA LEU A 80 2.336 2.057 2.343 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.474 2.558 -0.009 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.205 2.282 -0.035 1.00 0.37 H new ATOM 0 HG LEU A 80 3.821 -0.128 0.430 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.546 -1.047 0.223 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.691 0.051 1.616 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.892 0.605 0.126 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.917 -0.688 -1.797 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.319 0.980 -1.968 1.00 0.50 H new ATOM 0 HD23 LEU A 80 4.068 0.667 -1.875 1.00 0.50 H new ATOM 1265 N PHE A 81 5.573 1.436 2.455 1.00 0.33 N ATOM 1266 CA PHE A 81 6.577 0.557 3.042 1.00 0.36 C ATOM 1267 C PHE A 81 6.438 0.513 4.560 1.00 0.37 C ATOM 1268 O PHE A 81 6.259 -0.554 5.149 1.00 0.38 O ATOM 1269 CB PHE A 81 7.981 1.026 2.658 1.00 0.41 C ATOM 1270 CG PHE A 81 8.990 -0.086 2.601 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.702 -0.452 3.732 1.00 0.55 C ATOM 1272 CD2 PHE A 81 9.224 -0.766 1.416 1.00 0.59 C ATOM 1273 CE1 PHE A 81 10.629 -1.474 3.682 1.00 0.67 C ATOM 1274 CE2 PHE A 81 10.150 -1.789 1.360 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.854 -2.144 2.496 1.00 0.73 C ATOM 0 H PHE A 81 5.955 2.239 1.955 1.00 0.33 H new ATOM 0 HA PHE A 81 6.419 -0.449 2.652 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.938 1.517 1.686 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.316 1.773 3.378 1.00 0.41 H new ATOM 0 HD1 PHE A 81 9.530 0.068 4.663 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.676 -0.493 0.526 1.00 0.59 H new ATOM 0 HE1 PHE A 81 11.178 -1.749 4.570 1.00 0.67 H new ATOM 0 HE2 PHE A 81 10.324 -2.311 0.431 1.00 0.71 H new ATOM 0 HZ PHE A 81 11.579 -2.944 2.456 1.00 0.73 H new ATOM 1285 N ALA A 82 6.521 1.683 5.187 1.00 0.45 N ATOM 1286 CA ALA A 82 6.409 1.791 6.638 1.00 0.52 C ATOM 1287 C ALA A 82 5.037 1.340 7.135 1.00 0.45 C ATOM 1288 O ALA A 82 4.860 1.064 8.321 1.00 0.43 O ATOM 1289 CB ALA A 82 6.688 3.221 7.077 1.00 0.67 C ATOM 0 H ALA A 82 6.666 2.573 4.710 1.00 0.45 H new ATOM 0 HA ALA A 82 7.152 1.127 7.081 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.602 3.292 8.161 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.696 3.505 6.773 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.966 3.892 6.611 1.00 0.67 H new ATOM 1295 N LEU A 83 4.069 1.270 6.226 1.00 0.44 N ATOM 1296 CA LEU A 83 2.715 0.856 6.584 1.00 0.41 C ATOM 1297 C LEU A 83 2.692 -0.600 7.041 1.00 0.36 C ATOM 1298 O LEU A 83 2.175 -0.915 8.113 1.00 0.36 O ATOM 1299 CB LEU A 83 1.766 1.052 5.396 1.00 0.46 C ATOM 1300 CG LEU A 83 0.416 0.339 5.508 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.478 1.037 6.521 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.265 0.275 4.149 1.00 1.23 C ATOM 0 H LEU A 83 4.196 1.494 5.239 1.00 0.44 H new ATOM 0 HA LEU A 83 2.378 1.480 7.412 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.584 2.119 5.270 1.00 0.46 H new ATOM 0 HB3 LEU A 83 2.267 0.705 4.492 1.00 0.46 H new ATOM 0 HG LEU A 83 0.593 -0.679 5.854 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.432 0.514 6.585 1.00 1.08 H new ATOM 0 HD12 LEU A 83 0.005 1.031 7.498 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.649 2.067 6.207 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.223 -0.235 4.246 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.428 1.286 3.776 1.00 1.23 H new ATOM 0 HD23 LEU A 83 0.368 -0.272 3.450 1.00 1.23 H new ATOM 1314 N PHE A 84 3.248 -1.483 6.218 1.00 0.37 N ATOM 1315 CA PHE A 84 3.289 -2.906 6.537 1.00 0.39 C ATOM 1316 C PHE A 84 4.022 -3.155 7.852 1.00 0.39 C ATOM 1317 O PHE A 84 3.696 -4.089 8.587 1.00 0.41 O ATOM 1318 CB PHE A 84 3.964 -3.684 5.406 1.00 0.45 C ATOM 1319 CG PHE A 84 3.169 -3.703 4.130 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.865 -4.170 4.121 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.725 -3.254 2.942 1.00 0.40 C ATOM 1322 CE1 PHE A 84 1.129 -4.190 2.951 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.994 -3.271 1.769 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.704 -3.735 1.768 1.00 0.42 C ATOM 0 H PHE A 84 3.676 -1.239 5.325 1.00 0.37 H new ATOM 0 HA PHE A 84 2.262 -3.255 6.648 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.942 -3.246 5.208 1.00 0.45 H new ATOM 0 HB3 PHE A 84 4.135 -4.710 5.733 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.418 -4.523 5.039 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.741 -2.887 2.933 1.00 0.40 H new ATOM 0 HE1 PHE A 84 0.113 -4.557 2.955 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.440 -2.918 0.851 1.00 0.41 H new ATOM 0 HZ PHE A 84 1.135 -3.747 0.850 1.00 0.42 H new ATOM 1334 N LYS A 85 5.013 -2.316 8.142 1.00 0.43 N ATOM 1335 CA LYS A 85 5.796 -2.443 9.369 1.00 0.47 C ATOM 1336 C LYS A 85 4.893 -2.477 10.598 1.00 0.48 C ATOM 1337 O LYS A 85 5.251 -3.052 11.626 1.00 0.51 O ATOM 1338 CB LYS A 85 6.790 -1.286 9.487 1.00 0.56 C ATOM 1339 CG LYS A 85 8.163 -1.601 8.916 1.00 0.83 C ATOM 1340 CD LYS A 85 9.018 -0.350 8.798 1.00 0.64 C ATOM 1341 CE LYS A 85 10.354 -0.519 9.504 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.196 -0.587 10.983 1.00 1.59 N ATOM 0 H LYS A 85 5.294 -1.539 7.543 1.00 0.43 H new ATOM 0 HA LYS A 85 6.344 -3.384 9.320 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.383 -0.415 8.973 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.896 -1.015 10.537 1.00 0.56 H new ATOM 0 HG2 LYS A 85 8.666 -2.328 9.554 1.00 0.83 H new ATOM 0 HG3 LYS A 85 8.053 -2.062 7.934 1.00 0.83 H new ATOM 0 HD2 LYS A 85 9.188 -0.122 7.746 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.484 0.499 9.226 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.840 -1.428 9.149 1.00 1.03 H new ATOM 0 HE3 LYS A 85 11.008 0.314 9.247 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.134 -0.583 11.433 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.650 0.235 11.312 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 9.693 -1.461 11.239 1.00 1.59 H new ATOM 1356 N LYS A 86 3.723 -1.855 10.485 1.00 0.52 N ATOM 1357 CA LYS A 86 2.767 -1.813 11.588 1.00 0.59 C ATOM 1358 C LYS A 86 2.389 -3.221 12.035 1.00 0.61 C ATOM 1359 O LYS A 86 2.481 -3.552 13.217 1.00 0.69 O ATOM 1360 CB LYS A 86 1.511 -1.045 11.170 1.00 0.71 C ATOM 1361 CG LYS A 86 0.904 -0.218 12.293 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.614 -0.201 12.213 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.226 -1.362 12.977 1.00 1.84 C ATOM 1364 NZ LYS A 86 -0.940 -1.280 14.436 1.00 2.31 N ATOM 0 H LYS A 86 3.414 -1.373 9.641 1.00 0.52 H new ATOM 0 HA LYS A 86 3.239 -1.300 12.426 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.758 -0.387 10.337 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.766 -1.753 10.807 1.00 0.71 H new ATOM 0 HG2 LYS A 86 1.214 -0.625 13.255 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.284 0.802 12.241 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.990 0.739 12.616 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.925 -0.247 11.169 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.304 -1.372 12.819 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -0.837 -2.301 12.583 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -1.675 -1.793 14.963 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -0.012 -1.706 14.632 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -0.933 -0.283 14.733 1.00 2.31 H new ATOM 1378 N LEU A 87 1.964 -4.045 11.083 1.00 0.61 N ATOM 1379 CA LEU A 87 1.572 -5.418 11.379 1.00 0.70 C ATOM 1380 C LEU A 87 2.747 -6.372 11.184 1.00 0.63 C ATOM 1381 O LEU A 87 2.604 -7.586 11.330 1.00 0.74 O ATOM 1382 CB LEU A 87 0.401 -5.839 10.486 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.857 -6.288 11.232 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.419 -5.150 12.072 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.904 -6.792 10.250 1.00 1.46 C ATOM 0 H LEU A 87 1.882 -3.786 10.100 1.00 0.61 H new ATOM 0 HA LEU A 87 1.259 -5.465 12.422 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.141 -5.003 9.837 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.731 -6.653 9.840 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.586 -7.105 11.901 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.313 -5.490 12.594 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.673 -4.832 12.800 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.674 -4.311 11.424 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.793 -7.108 10.796 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.168 -5.993 9.558 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.502 -7.637 9.692 1.00 1.46 H new ATOM 1397 N LYS A 88 3.907 -5.809 10.853 1.00 0.52 N ATOM 1398 CA LYS A 88 5.117 -6.600 10.638 1.00 0.53 C ATOM 1399 C LYS A 88 4.909 -7.630 9.529 1.00 0.51 C ATOM 1400 O LYS A 88 5.161 -8.820 9.718 1.00 0.56 O ATOM 1401 CB LYS A 88 5.534 -7.302 11.934 1.00 0.69 C ATOM 1402 CG LYS A 88 6.280 -6.399 12.903 1.00 1.16 C ATOM 1403 CD LYS A 88 6.050 -6.822 14.346 1.00 1.45 C ATOM 1404 CE LYS A 88 4.713 -6.322 14.868 1.00 2.05 C ATOM 1405 NZ LYS A 88 4.036 -7.334 15.724 1.00 2.87 N ATOM 0 H LYS A 88 4.035 -4.805 10.727 1.00 0.52 H new ATOM 0 HA LYS A 88 5.912 -5.921 10.331 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.645 -7.694 12.427 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.165 -8.156 11.688 1.00 0.69 H new ATOM 0 HG2 LYS A 88 7.347 -6.426 12.680 1.00 1.16 H new ATOM 0 HG3 LYS A 88 5.952 -5.368 12.768 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.086 -7.909 14.417 1.00 1.45 H new ATOM 0 HD3 LYS A 88 6.854 -6.435 14.972 1.00 1.45 H new ATOM 0 HE2 LYS A 88 4.866 -5.407 15.440 1.00 2.05 H new ATOM 0 HE3 LYS A 88 4.067 -6.068 14.027 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 3.128 -6.954 16.059 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 3.866 -8.198 15.171 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 4.640 -7.558 16.540 1.00 2.87 H new ATOM 1419 N LEU A 89 4.449 -7.162 8.372 1.00 0.47 N ATOM 1420 CA LEU A 89 4.206 -8.042 7.234 1.00 0.46 C ATOM 1421 C LEU A 89 5.447 -8.151 6.351 1.00 0.45 C ATOM 1422 O LEU A 89 5.498 -7.583 5.259 1.00 0.43 O ATOM 1423 CB LEU A 89 3.021 -7.531 6.411 1.00 0.48 C ATOM 1424 CG LEU A 89 1.653 -7.696 7.076 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.710 -6.588 6.637 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.065 -9.061 6.747 1.00 1.31 C ATOM 0 H LEU A 89 4.237 -6.179 8.198 1.00 0.47 H new ATOM 0 HA LEU A 89 3.971 -9.034 7.619 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.178 -6.474 6.194 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.009 -8.055 5.455 1.00 0.48 H new ATOM 0 HG LEU A 89 1.782 -7.627 8.156 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.258 -6.722 7.120 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.127 -5.622 6.921 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.584 -6.625 5.555 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.092 -9.163 7.227 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.949 -9.156 5.667 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.733 -9.842 7.110 1.00 1.31 H new ATOM 1438 N HIS A 90 6.449 -8.881 6.836 1.00 0.55 N ATOM 1439 CA HIS A 90 7.692 -9.072 6.094 1.00 0.64 C ATOM 1440 C HIS A 90 7.420 -9.620 4.696 1.00 0.60 C ATOM 1441 O HIS A 90 8.191 -9.387 3.766 1.00 0.69 O ATOM 1442 CB HIS A 90 8.621 -10.024 6.852 1.00 0.81 C ATOM 1443 CG HIS A 90 9.292 -9.397 8.036 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.505 -9.829 8.529 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.912 -8.364 8.828 1.00 0.98 C ATOM 1446 CE1 HIS A 90 10.843 -9.092 9.573 1.00 1.84 C ATOM 1447 NE2 HIS A 90 9.894 -8.196 9.774 1.00 1.38 N ATOM 0 H HIS A 90 6.424 -9.350 7.741 1.00 0.55 H new ATOM 0 HA HIS A 90 8.175 -8.100 5.994 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.047 -10.888 7.187 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.384 -10.394 6.167 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.007 -7.782 8.733 1.00 0.98 H new ATOM 0 HE1 HIS A 90 11.742 -9.204 10.161 1.00 1.84 H new ATOM 0 HE2 HIS A 90 9.891 -7.493 10.513 1.00 1.38 H new ATOM 1456 N ASN A 91 6.317 -10.350 4.557 1.00 0.54 N ATOM 1457 CA ASN A 91 5.940 -10.936 3.276 1.00 0.55 C ATOM 1458 C ASN A 91 5.592 -9.854 2.259 1.00 0.46 C ATOM 1459 O ASN A 91 6.222 -9.753 1.206 1.00 0.45 O ATOM 1460 CB ASN A 91 4.752 -11.882 3.457 1.00 0.63 C ATOM 1461 CG ASN A 91 4.727 -12.988 2.420 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.313 -12.860 1.345 1.00 1.98 O ATOM 1463 ND2 ASN A 91 4.045 -14.082 2.740 1.00 1.60 N ATOM 0 H ASN A 91 5.668 -10.550 5.318 1.00 0.54 H new ATOM 0 HA ASN A 91 6.793 -11.499 2.899 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.791 -12.323 4.453 1.00 0.63 H new ATOM 0 HB3 ASN A 91 3.825 -11.312 3.397 1.00 0.63 H new ATOM 0 HD21 ASN A 91 3.992 -14.860 2.083 1.00 1.60 H new ATOM 0 HD22 ASN A 91 3.575 -14.144 3.643 1.00 1.60 H new ATOM 1470 N ALA A 92 4.581 -9.051 2.582 1.00 0.42 N ATOM 1471 CA ALA A 92 4.140 -7.976 1.700 1.00 0.39 C ATOM 1472 C ALA A 92 5.298 -7.063 1.311 1.00 0.36 C ATOM 1473 O ALA A 92 5.346 -6.548 0.194 1.00 0.38 O ATOM 1474 CB ALA A 92 3.035 -7.170 2.368 1.00 0.41 C ATOM 0 H ALA A 92 4.051 -9.126 3.450 1.00 0.42 H new ATOM 0 HA ALA A 92 3.752 -8.429 0.788 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.714 -6.370 1.701 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.190 -7.823 2.586 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.409 -6.739 3.297 1.00 0.41 H new ATOM 1480 N MET A 93 6.227 -6.865 2.240 1.00 0.39 N ATOM 1481 CA MET A 93 7.386 -6.013 1.995 1.00 0.43 C ATOM 1482 C MET A 93 8.202 -6.520 0.809 1.00 0.40 C ATOM 1483 O MET A 93 8.484 -5.772 -0.127 1.00 0.39 O ATOM 1484 CB MET A 93 8.269 -5.947 3.242 1.00 0.55 C ATOM 1485 CG MET A 93 7.777 -4.955 4.284 1.00 0.71 C ATOM 1486 SD MET A 93 8.193 -5.451 5.967 1.00 1.06 S ATOM 1487 CE MET A 93 9.972 -5.239 5.953 1.00 1.29 C ATOM 0 H MET A 93 6.200 -7.283 3.170 1.00 0.39 H new ATOM 0 HA MET A 93 7.022 -5.013 1.759 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.322 -6.938 3.692 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.283 -5.677 2.945 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.210 -3.976 4.081 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.696 -4.849 4.197 1.00 0.71 H new ATOM 0 HE1 MET A 93 10.378 -5.507 6.928 1.00 1.29 H new ATOM 0 HE2 MET A 93 10.409 -5.882 5.189 1.00 1.29 H new ATOM 0 HE3 MET A 93 10.213 -4.199 5.733 1.00 1.29 H new ATOM 1497 N ARG A 94 8.574 -7.796 0.858 1.00 0.44 N ATOM 1498 CA ARG A 94 9.363 -8.410 -0.205 1.00 0.45 C ATOM 1499 C ARG A 94 8.668 -8.286 -1.560 1.00 0.44 C ATOM 1500 O ARG A 94 9.324 -8.248 -2.601 1.00 0.49 O ATOM 1501 CB ARG A 94 9.621 -9.883 0.115 1.00 0.55 C ATOM 1502 CG ARG A 94 10.926 -10.126 0.855 1.00 1.28 C ATOM 1503 CD ARG A 94 10.702 -10.898 2.145 1.00 1.44 C ATOM 1504 NE ARG A 94 11.692 -10.558 3.165 1.00 1.97 N ATOM 1505 CZ ARG A 94 11.657 -11.021 4.412 1.00 2.47 C ATOM 1506 NH1 ARG A 94 10.687 -11.841 4.793 1.00 2.58 N ATOM 1507 NH2 ARG A 94 12.595 -10.664 5.278 1.00 3.39 N ATOM 0 H ARG A 94 8.341 -8.426 1.625 1.00 0.44 H new ATOM 0 HA ARG A 94 10.314 -7.880 -0.263 1.00 0.45 H new ATOM 0 HB2 ARG A 94 8.796 -10.265 0.716 1.00 0.55 H new ATOM 0 HB3 ARG A 94 9.629 -10.452 -0.815 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.611 -10.680 0.213 1.00 1.28 H new ATOM 0 HG3 ARG A 94 11.401 -9.171 1.080 1.00 1.28 H new ATOM 0 HD2 ARG A 94 9.703 -10.687 2.525 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.745 -11.968 1.940 1.00 1.44 H new ATOM 0 HE ARG A 94 12.453 -9.930 2.906 1.00 1.97 H new ATOM 0 HH11 ARG A 94 9.964 -12.119 4.129 1.00 2.58 H new ATOM 0 HH12 ARG A 94 10.664 -12.194 5.750 1.00 2.58 H new ATOM 0 HH21 ARG A 94 13.343 -10.034 4.988 1.00 3.39 H new ATOM 0 HH22 ARG A 94 12.568 -11.019 6.234 1.00 3.39 H new ATOM 1521 N LEU A 95 7.341 -8.224 -1.538 1.00 0.44 N ATOM 1522 CA LEU A 95 6.560 -8.108 -2.767 1.00 0.47 C ATOM 1523 C LEU A 95 6.881 -6.812 -3.504 1.00 0.46 C ATOM 1524 O LEU A 95 6.899 -6.776 -4.735 1.00 0.52 O ATOM 1525 CB LEU A 95 5.065 -8.172 -2.453 1.00 0.53 C ATOM 1526 CG LEU A 95 4.329 -9.370 -3.052 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.111 -10.443 -1.998 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.001 -8.931 -3.651 1.00 0.67 C ATOM 0 H LEU A 95 6.783 -8.252 -0.685 1.00 0.44 H new ATOM 0 HA LEU A 95 6.827 -8.944 -3.414 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.937 -8.190 -1.371 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.594 -7.258 -2.814 1.00 0.53 H new ATOM 0 HG LEU A 95 4.944 -9.791 -3.847 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.586 -11.288 -2.443 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.075 -10.776 -1.613 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.516 -10.035 -1.181 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.489 -9.795 -4.074 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.380 -8.486 -2.873 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.181 -8.197 -4.436 1.00 0.67 H new ATOM 1540 N ILE A 96 7.134 -5.749 -2.746 1.00 0.43 N ATOM 1541 CA ILE A 96 7.454 -4.451 -3.331 1.00 0.50 C ATOM 1542 C ILE A 96 8.832 -3.969 -2.888 1.00 0.61 C ATOM 1543 O ILE A 96 9.071 -2.767 -2.768 1.00 1.29 O ATOM 1544 CB ILE A 96 6.403 -3.388 -2.954 1.00 0.58 C ATOM 1545 CG1 ILE A 96 6.220 -3.328 -1.436 1.00 0.52 C ATOM 1546 CG2 ILE A 96 5.078 -3.686 -3.640 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.863 -1.948 -0.925 1.00 0.48 C ATOM 0 H ILE A 96 7.124 -5.761 -1.726 1.00 0.43 H new ATOM 0 HA ILE A 96 7.451 -4.585 -4.413 1.00 0.50 H new ATOM 0 HB ILE A 96 6.758 -2.415 -3.295 1.00 0.58 H new ATOM 0 HG12 ILE A 96 5.437 -4.028 -1.144 1.00 0.52 H new ATOM 0 HG13 ILE A 96 7.140 -3.659 -0.954 1.00 0.52 H new ATOM 0 HG21 ILE A 96 4.346 -2.927 -3.364 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.218 -3.679 -4.721 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.719 -4.667 -3.327 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.749 -1.980 0.159 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.656 -1.247 -1.186 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.927 -1.623 -1.379 1.00 0.48 H new ATOM 1559 N LYS A 97 9.738 -4.912 -2.649 1.00 0.66 N ATOM 1560 CA LYS A 97 11.092 -4.580 -2.223 1.00 0.66 C ATOM 1561 C LYS A 97 12.001 -4.355 -3.428 1.00 0.82 C ATOM 1562 O LYS A 97 13.081 -4.941 -3.526 1.00 1.43 O ATOM 1563 CB LYS A 97 11.657 -5.690 -1.334 1.00 0.74 C ATOM 1564 CG LYS A 97 11.545 -5.393 0.153 1.00 1.33 C ATOM 1565 CD LYS A 97 12.899 -5.449 0.837 1.00 1.77 C ATOM 1566 CE LYS A 97 13.253 -6.869 1.251 1.00 2.29 C ATOM 1567 NZ LYS A 97 12.838 -7.160 2.651 1.00 2.85 N ATOM 0 H LYS A 97 9.559 -5.912 -2.743 1.00 0.66 H new ATOM 0 HA LYS A 97 11.051 -3.655 -1.648 1.00 0.66 H new ATOM 0 HB2 LYS A 97 11.133 -6.621 -1.551 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.705 -5.849 -1.587 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.105 -4.406 0.295 1.00 1.33 H new ATOM 0 HG3 LYS A 97 10.871 -6.112 0.619 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.665 -5.063 0.164 1.00 1.77 H new ATOM 0 HD3 LYS A 97 12.892 -4.803 1.715 1.00 1.77 H new ATOM 0 HE2 LYS A 97 12.770 -7.575 0.575 1.00 2.29 H new ATOM 0 HE3 LYS A 97 14.328 -7.018 1.153 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 13.589 -7.695 3.132 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 12.672 -6.267 3.157 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 11.963 -7.722 2.644 1.00 2.85 H new ATOM 1581 N ASP A 98 11.555 -3.498 -4.341 1.00 0.74 N ATOM 1582 CA ASP A 98 12.325 -3.185 -5.543 1.00 0.85 C ATOM 1583 C ASP A 98 11.693 -2.036 -6.331 1.00 0.73 C ATOM 1584 O ASP A 98 12.084 -1.767 -7.467 1.00 0.84 O ATOM 1585 CB ASP A 98 12.438 -4.421 -6.436 1.00 1.04 C ATOM 1586 CG ASP A 98 13.858 -4.669 -6.905 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.236 -4.129 -7.966 1.00 1.64 O ATOM 1588 OD2 ASP A 98 14.593 -5.402 -6.210 1.00 1.63 O ATOM 0 H ASP A 98 10.664 -3.007 -4.273 1.00 0.74 H new ATOM 0 HA ASP A 98 13.320 -2.873 -5.225 1.00 0.85 H new ATOM 0 HB2 ASP A 98 12.081 -5.294 -5.890 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.788 -4.300 -7.303 1.00 1.04 H new ATOM 1593 N TYR A 99 10.719 -1.361 -5.726 1.00 0.60 N ATOM 1594 CA TYR A 99 10.045 -0.242 -6.373 1.00 0.64 C ATOM 1595 C TYR A 99 10.327 1.054 -5.625 1.00 0.78 C ATOM 1596 O TYR A 99 9.944 2.138 -6.066 1.00 1.08 O ATOM 1597 CB TYR A 99 8.536 -0.491 -6.438 1.00 0.63 C ATOM 1598 CG TYR A 99 8.146 -1.588 -7.402 1.00 0.65 C ATOM 1599 CD1 TYR A 99 8.200 -2.923 -7.024 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.722 -1.287 -8.690 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.843 -3.928 -7.902 1.00 0.92 C ATOM 1602 CE2 TYR A 99 7.363 -2.286 -9.574 1.00 0.84 C ATOM 1603 CZ TYR A 99 7.430 -3.604 -9.178 1.00 0.93 C ATOM 1604 OH TYR A 99 7.067 -4.602 -10.052 1.00 1.13 O ATOM 0 H TYR A 99 10.379 -1.571 -4.787 1.00 0.60 H new ATOM 0 HA TYR A 99 10.430 -0.152 -7.389 1.00 0.64 H new ATOM 0 HB2 TYR A 99 8.175 -0.748 -5.442 1.00 0.63 H new ATOM 0 HB3 TYR A 99 8.036 0.433 -6.729 1.00 0.63 H new ATOM 0 HD1 TYR A 99 8.526 -3.180 -6.027 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.672 -0.255 -9.005 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.887 -4.961 -7.591 1.00 0.92 H new ATOM 0 HE2 TYR A 99 7.031 -2.035 -10.571 1.00 0.84 H new ATOM 0 HH TYR A 99 6.800 -4.206 -10.908 1.00 1.13 H new ATOM 1614 N VAL A 100 11.003 0.930 -4.488 1.00 0.68 N ATOM 1615 CA VAL A 100 11.342 2.084 -3.663 1.00 0.84 C ATOM 1616 C VAL A 100 12.781 2.526 -3.904 1.00 1.12 C ATOM 1617 O VAL A 100 13.440 2.047 -4.827 1.00 1.37 O ATOM 1618 CB VAL A 100 11.147 1.787 -2.160 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.883 2.455 -1.643 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.108 0.286 -1.901 1.00 0.84 C ATOM 0 H VAL A 100 11.328 0.038 -4.115 1.00 0.68 H new ATOM 0 HA VAL A 100 10.664 2.887 -3.952 1.00 0.84 H new ATOM 0 HB VAL A 100 11.999 2.199 -1.620 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.763 2.234 -0.582 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.958 3.533 -1.783 1.00 0.99 H new ATOM 0 HG13 VAL A 100 9.021 2.077 -2.192 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.970 0.104 -0.835 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.281 -0.157 -2.455 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.046 -0.164 -2.227 1.00 0.84 H new