USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 826 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 43 ASN :FLIP amide:sc= 0.285 F(o=0.69,f=1.5) USER MOD Set 1.2: A 44 ASN :FLIP amide:sc= 1.21 F(o=0.69,f=1.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.538 K(o=-0.54,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 91:sc= 0.23 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.000284 X(o=-0.00028,f=-0.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 165:sc=-0.00725 (180deg=-0.448) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.616 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.004) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 70 THR OG1 : rot 44:sc= 0.359 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -123:sc= -0.841 (180deg=-6.57!) USER MOD Single : A 88 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.948 X(o=-0.95,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0497 K(o=-0.05,f=-1) USER MOD Single : A 122 MET CE :methyl -179:sc= -1.32 (180deg=-1.35) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot -95:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.195 -8.893 2.748 1.00 0.00 N ATOM 145 CA LYS A 13 -6.059 -9.798 2.880 1.00 0.00 C ATOM 146 C LYS A 13 -4.742 -9.036 2.778 1.00 0.00 C ATOM 147 O LYS A 13 -3.867 -9.175 3.633 1.00 0.00 O ATOM 148 CB LYS A 13 -6.118 -10.884 1.803 1.00 0.00 C ATOM 149 CG LYS A 13 -7.263 -11.864 1.989 1.00 0.00 C ATOM 150 CD LYS A 13 -6.995 -12.825 3.134 1.00 0.00 C ATOM 151 CE LYS A 13 -6.065 -13.952 2.710 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.813 -15.098 2.125 1.00 0.00 N ATOM 0 HA LYS A 13 -6.112 -10.267 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.212 -10.410 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.177 -11.434 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.185 -11.315 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.414 -12.427 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.553 -12.282 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.937 -13.243 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.348 -13.576 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.493 -14.294 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.144 -15.845 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.479 -15.474 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.339 -14.778 1.287 1.00 0.00 H new ATOM 166 N GLN A 14 -4.609 -8.231 1.729 1.00 0.00 N ATOM 167 CA GLN A 14 -3.398 -7.446 1.518 1.00 0.00 C ATOM 168 C GLN A 14 -3.135 -6.521 2.701 1.00 0.00 C ATOM 169 O GLN A 14 -1.985 -6.261 3.056 1.00 0.00 O ATOM 170 CB GLN A 14 -3.514 -6.628 0.231 1.00 0.00 C ATOM 171 CG GLN A 14 -3.221 -7.428 -1.028 1.00 0.00 C ATOM 172 CD GLN A 14 -3.902 -8.782 -1.030 1.00 0.00 C ATOM 173 OE1 GLN A 14 -5.118 -8.878 -0.859 1.00 0.00 O ATOM 174 NE2 GLN A 14 -3.121 -9.838 -1.225 1.00 0.00 N ATOM 0 H GLN A 14 -5.324 -8.105 1.012 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.559 -8.136 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.520 -6.215 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.826 -5.784 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.547 -6.860 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.144 -7.567 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.118 -9.712 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.524 -10.775 -1.237 1.00 0.00 H new ATOM 183 N LEU A 15 -4.208 -6.026 3.308 1.00 0.00 N ATOM 184 CA LEU A 15 -4.094 -5.128 4.452 1.00 0.00 C ATOM 185 C LEU A 15 -3.541 -5.864 5.669 1.00 0.00 C ATOM 186 O LEU A 15 -2.467 -5.534 6.172 1.00 0.00 O ATOM 187 CB LEU A 15 -5.457 -4.519 4.786 1.00 0.00 C ATOM 188 CG LEU A 15 -6.161 -3.783 3.646 1.00 0.00 C ATOM 189 CD1 LEU A 15 -7.519 -3.271 4.099 1.00 0.00 C ATOM 190 CD2 LEU A 15 -5.299 -2.637 3.138 1.00 0.00 C ATOM 0 H LEU A 15 -5.167 -6.231 3.027 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.401 -4.329 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.113 -5.316 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.328 -3.824 5.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.316 -4.485 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.005 -2.750 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.138 -4.111 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.388 -2.584 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.816 -2.125 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.112 -1.935 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.350 -3.030 2.773 1.00 0.00 H new ATOM 202 N LYS A 16 -4.281 -6.864 6.136 1.00 0.00 N ATOM 203 CA LYS A 16 -3.864 -7.650 7.291 1.00 0.00 C ATOM 204 C LYS A 16 -2.456 -8.201 7.094 1.00 0.00 C ATOM 205 O LYS A 16 -1.693 -8.338 8.051 1.00 0.00 O ATOM 206 CB LYS A 16 -4.845 -8.800 7.531 1.00 0.00 C ATOM 207 CG LYS A 16 -5.029 -9.704 6.324 1.00 0.00 C ATOM 208 CD LYS A 16 -5.786 -10.971 6.686 1.00 0.00 C ATOM 209 CE LYS A 16 -4.861 -12.024 7.277 1.00 0.00 C ATOM 210 NZ LYS A 16 -5.543 -13.339 7.430 1.00 0.00 N ATOM 0 H LYS A 16 -5.173 -7.149 5.732 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.860 -6.996 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.493 -9.398 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.813 -8.387 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.569 -9.166 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.054 -9.966 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.573 -10.734 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.274 -11.371 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.987 -12.141 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.501 -11.687 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.879 -14.029 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.362 -13.234 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.865 -13.674 6.499 1.00 0.00 H new ATOM 224 N VAL A 17 -2.116 -8.514 5.848 1.00 0.00 N ATOM 225 CA VAL A 17 -0.798 -9.048 5.526 1.00 0.00 C ATOM 226 C VAL A 17 0.259 -7.949 5.544 1.00 0.00 C ATOM 227 O VAL A 17 1.339 -8.120 6.111 1.00 0.00 O ATOM 228 CB VAL A 17 -0.790 -9.730 4.145 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.630 -10.086 3.733 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.676 -10.966 4.158 1.00 0.00 C ATOM 0 H VAL A 17 -2.735 -8.407 5.045 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.562 -9.789 6.290 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.190 -9.031 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.615 -10.567 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.232 -9.179 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.061 -10.768 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.659 -11.436 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.307 -11.670 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.698 -10.679 4.405 1.00 0.00 H new ATOM 240 N LEU A 18 -0.059 -6.820 4.920 1.00 0.00 N ATOM 241 CA LEU A 18 0.863 -5.691 4.864 1.00 0.00 C ATOM 242 C LEU A 18 1.178 -5.175 6.264 1.00 0.00 C ATOM 243 O LEU A 18 2.321 -5.238 6.718 1.00 0.00 O ATOM 244 CB LEU A 18 0.271 -4.565 4.014 1.00 0.00 C ATOM 245 CG LEU A 18 0.300 -4.780 2.501 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.828 -4.010 1.831 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.646 -4.364 1.928 1.00 0.00 C ATOM 0 H LEU A 18 -0.948 -6.662 4.446 1.00 0.00 H new ATOM 0 HA LEU A 18 1.791 -6.034 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.764 -4.412 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.809 -3.645 4.240 1.00 0.00 H new ATOM 0 HG LEU A 18 0.156 -5.842 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.792 -4.175 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.786 -4.357 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.716 -2.946 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.648 -4.524 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.820 -3.309 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.436 -4.960 2.385 1.00 0.00 H new ATOM 259 N LEU A 19 0.157 -4.667 6.945 1.00 0.00 N ATOM 260 CA LEU A 19 0.324 -4.142 8.296 1.00 0.00 C ATOM 261 C LEU A 19 1.237 -5.043 9.122 1.00 0.00 C ATOM 262 O LEU A 19 2.161 -4.569 9.781 1.00 0.00 O ATOM 263 CB LEU A 19 -1.036 -4.007 8.983 1.00 0.00 C ATOM 264 CG LEU A 19 -2.059 -3.116 8.279 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.468 -3.452 8.741 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.749 -1.647 8.530 1.00 0.00 C ATOM 0 H LEU A 19 -0.795 -4.607 6.584 1.00 0.00 H new ATOM 0 HA LEU A 19 0.787 -3.158 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.466 -5.003 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.876 -3.617 9.988 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.997 -3.302 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.182 -2.807 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.688 -4.494 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.545 -3.296 9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.487 -1.027 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.782 -1.446 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.755 -1.414 8.148 1.00 0.00 H new ATOM 278 N SER A 20 0.972 -6.344 9.078 1.00 0.00 N ATOM 279 CA SER A 20 1.768 -7.312 9.823 1.00 0.00 C ATOM 280 C SER A 20 3.257 -7.002 9.698 1.00 0.00 C ATOM 281 O SER A 20 3.973 -6.926 10.696 1.00 0.00 O ATOM 282 CB SER A 20 1.487 -8.730 9.322 1.00 0.00 C ATOM 283 OG SER A 20 0.416 -9.320 10.037 1.00 0.00 O ATOM 0 H SER A 20 0.212 -6.753 8.534 1.00 0.00 H new ATOM 0 HA SER A 20 1.487 -7.244 10.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.247 -8.703 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.382 -9.342 9.431 1.00 0.00 H new ATOM 0 HG SER A 20 -0.428 -9.135 9.574 1.00 0.00 H new ATOM 289 N GLY A 21 3.716 -6.823 8.463 1.00 0.00 N ATOM 290 CA GLY A 21 5.116 -6.523 8.228 1.00 0.00 C ATOM 291 C GLY A 21 5.940 -7.769 7.965 1.00 0.00 C ATOM 292 O GLY A 21 5.765 -8.788 8.632 1.00 0.00 O ATOM 0 H GLY A 21 3.143 -6.880 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.202 -5.848 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.522 -5.998 9.093 1.00 0.00 H new ATOM 296 N ALA A 22 6.838 -7.687 6.990 1.00 0.00 N ATOM 297 CA ALA A 22 7.692 -8.816 6.641 1.00 0.00 C ATOM 298 C ALA A 22 9.162 -8.411 6.632 1.00 0.00 C ATOM 299 O ALA A 22 9.506 -7.275 6.961 1.00 0.00 O ATOM 300 CB ALA A 22 7.290 -9.382 5.287 1.00 0.00 C ATOM 0 H ALA A 22 6.994 -6.851 6.427 1.00 0.00 H new ATOM 0 HA ALA A 22 7.560 -9.588 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.936 -10.224 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.254 -9.718 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.392 -8.609 4.525 1.00 0.00 H new ATOM 306 N THR A 23 10.027 -9.347 6.254 1.00 0.00 N ATOM 307 CA THR A 23 11.460 -9.088 6.204 1.00 0.00 C ATOM 308 C THR A 23 11.963 -9.054 4.766 1.00 0.00 C ATOM 309 O THR A 23 11.502 -9.818 3.918 1.00 0.00 O ATOM 310 CB THR A 23 12.251 -10.153 6.987 1.00 0.00 C ATOM 311 OG1 THR A 23 11.626 -10.396 8.252 1.00 0.00 O ATOM 312 CG2 THR A 23 13.690 -9.708 7.204 1.00 0.00 C ATOM 0 H THR A 23 9.759 -10.292 5.978 1.00 0.00 H new ATOM 0 HA THR A 23 11.621 -8.114 6.665 1.00 0.00 H new ATOM 0 HB THR A 23 12.256 -11.073 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.134 -11.075 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.229 -10.476 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.172 -9.552 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.701 -8.776 7.770 1.00 0.00 H new ATOM 320 N PHE A 24 12.912 -8.163 4.496 1.00 0.00 N ATOM 321 CA PHE A 24 13.477 -8.029 3.159 1.00 0.00 C ATOM 322 C PHE A 24 14.942 -7.608 3.228 1.00 0.00 C ATOM 323 O PHE A 24 15.491 -7.402 4.311 1.00 0.00 O ATOM 324 CB PHE A 24 12.679 -7.008 2.345 1.00 0.00 C ATOM 325 CG PHE A 24 11.192 -7.197 2.439 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.496 -6.771 3.558 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.491 -7.802 1.408 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.127 -6.943 3.648 1.00 0.00 C ATOM 329 CE2 PHE A 24 9.122 -7.976 1.492 1.00 0.00 C ATOM 330 CZ PHE A 24 8.440 -7.547 2.614 1.00 0.00 C ATOM 0 H PHE A 24 13.306 -7.523 5.186 1.00 0.00 H new ATOM 0 HA PHE A 24 13.419 -9.000 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.932 -6.005 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.980 -7.073 1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.029 -6.299 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.020 -8.141 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.596 -6.605 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.586 -8.447 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.371 -7.684 2.682 1.00 0.00 H new ATOM 340 N LEU A 25 15.570 -7.482 2.064 1.00 0.00 N ATOM 341 CA LEU A 25 16.973 -7.086 1.990 1.00 0.00 C ATOM 342 C LEU A 25 17.115 -5.701 1.368 1.00 0.00 C ATOM 343 O LEU A 25 16.903 -5.523 0.169 1.00 0.00 O ATOM 344 CB LEU A 25 17.769 -8.107 1.177 1.00 0.00 C ATOM 345 CG LEU A 25 18.055 -9.441 1.869 1.00 0.00 C ATOM 346 CD1 LEU A 25 18.733 -10.406 0.909 1.00 0.00 C ATOM 347 CD2 LEU A 25 18.913 -9.226 3.107 1.00 0.00 C ATOM 0 H LEU A 25 15.131 -7.648 1.159 1.00 0.00 H new ATOM 0 HA LEU A 25 17.369 -7.051 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.226 -8.309 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.720 -7.655 0.896 1.00 0.00 H new ATOM 0 HG LEU A 25 17.106 -9.878 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.929 -11.349 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.083 -10.584 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.675 -9.977 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.107 -10.185 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.859 -8.767 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.389 -8.571 3.804 1.00 0.00 H new ATOM 359 N VAL A 26 17.477 -4.722 2.192 1.00 0.00 N ATOM 360 CA VAL A 26 17.652 -3.353 1.722 1.00 0.00 C ATOM 361 C VAL A 26 19.119 -3.054 1.432 1.00 0.00 C ATOM 362 O VAL A 26 19.996 -3.349 2.244 1.00 0.00 O ATOM 363 CB VAL A 26 17.125 -2.335 2.751 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.355 -0.913 2.261 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.651 -2.579 3.034 1.00 0.00 C ATOM 0 H VAL A 26 17.655 -4.852 3.188 1.00 0.00 H new ATOM 0 HA VAL A 26 17.077 -3.259 0.801 1.00 0.00 H new ATOM 0 HB VAL A 26 17.676 -2.466 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.976 -0.208 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.422 -0.747 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.831 -0.764 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.295 -1.851 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.081 -2.476 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.519 -3.585 3.432 1.00 0.00 H new ATOM 375 N THR A 27 19.379 -2.465 0.269 1.00 0.00 N ATOM 376 CA THR A 27 20.739 -2.127 -0.129 1.00 0.00 C ATOM 377 C THR A 27 20.900 -0.622 -0.312 1.00 0.00 C ATOM 378 O THR A 27 20.108 0.018 -1.005 1.00 0.00 O ATOM 379 CB THR A 27 21.135 -2.837 -1.437 1.00 0.00 C ATOM 380 OG1 THR A 27 20.518 -4.127 -1.501 1.00 0.00 O ATOM 381 CG2 THR A 27 22.646 -2.986 -1.536 1.00 0.00 C ATOM 0 H THR A 27 18.665 -2.212 -0.414 1.00 0.00 H new ATOM 0 HA THR A 27 21.396 -2.465 0.672 1.00 0.00 H new ATOM 0 HB THR A 27 20.790 -2.229 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.774 -4.571 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.902 -3.490 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.111 -2.000 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.010 -3.574 -0.694 1.00 0.00 H new ATOM 389 N PHE A 28 21.930 -0.061 0.313 1.00 0.00 N ATOM 390 CA PHE A 28 22.194 1.370 0.218 1.00 0.00 C ATOM 391 C PHE A 28 23.356 1.647 -0.731 1.00 0.00 C ATOM 392 O PHE A 28 24.294 0.858 -0.829 1.00 0.00 O ATOM 393 CB PHE A 28 22.504 1.945 1.602 1.00 0.00 C ATOM 394 CG PHE A 28 21.365 1.816 2.573 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.226 2.593 2.433 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.433 0.918 3.626 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.178 2.477 3.325 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.387 0.798 4.522 1.00 0.00 C ATOM 399 CZ PHE A 28 19.258 1.578 4.370 1.00 0.00 C ATOM 0 H PHE A 28 22.595 -0.575 0.890 1.00 0.00 H new ATOM 0 HA PHE A 28 21.301 1.853 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.378 1.438 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.766 2.998 1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.157 3.297 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.313 0.305 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.296 3.089 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.453 0.095 5.339 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.439 1.485 5.067 1.00 0.00 H new ATOM 409 N GLY A 29 23.284 2.776 -1.431 1.00 0.00 N ATOM 410 CA GLY A 29 24.335 3.138 -2.365 1.00 0.00 C ATOM 411 C GLY A 29 25.721 2.902 -1.798 1.00 0.00 C ATOM 412 O GLY A 29 26.640 2.528 -2.525 1.00 0.00 O ATOM 0 H GLY A 29 22.517 3.446 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.217 2.560 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.230 4.189 -2.635 1.00 0.00 H new ATOM 416 N ASN A 30 25.871 3.122 -0.496 1.00 0.00 N ATOM 417 CA ASN A 30 27.156 2.933 0.168 1.00 0.00 C ATOM 418 C ASN A 30 27.375 1.465 0.521 1.00 0.00 C ATOM 419 O ASN A 30 28.491 0.953 0.426 1.00 0.00 O ATOM 420 CB ASN A 30 27.231 3.790 1.433 1.00 0.00 C ATOM 421 CG ASN A 30 28.657 4.005 1.902 1.00 0.00 C ATOM 422 OD1 ASN A 30 29.351 3.057 2.271 1.00 0.00 O ATOM 423 ND2 ASN A 30 29.101 5.256 1.889 1.00 0.00 N ATOM 0 H ASN A 30 25.119 3.431 0.120 1.00 0.00 H new ATOM 0 HA ASN A 30 27.942 3.244 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.765 4.756 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 30 26.658 3.311 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.052 5.463 2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 30 28.491 6.011 1.575 1.00 0.00 H new ATOM 430 N SER A 31 26.303 0.793 0.928 1.00 0.00 N ATOM 431 CA SER A 31 26.378 -0.615 1.298 1.00 0.00 C ATOM 432 C SER A 31 26.179 -1.509 0.078 1.00 0.00 C ATOM 433 O SER A 31 25.052 -1.732 -0.363 1.00 0.00 O ATOM 434 CB SER A 31 25.327 -0.942 2.361 1.00 0.00 C ATOM 435 OG SER A 31 25.448 -0.080 3.479 1.00 0.00 O ATOM 0 H SER A 31 25.372 1.201 1.010 1.00 0.00 H new ATOM 0 HA SER A 31 27.370 -0.805 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 31 24.329 -0.848 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.440 -1.977 2.682 1.00 0.00 H new ATOM 0 HG SER A 31 24.764 -0.308 4.143 1.00 0.00 H new ATOM 441 N GLU A 32 27.282 -2.018 -0.462 1.00 0.00 N ATOM 442 CA GLU A 32 27.228 -2.887 -1.632 1.00 0.00 C ATOM 443 C GLU A 32 26.616 -4.239 -1.277 1.00 0.00 C ATOM 444 O GLU A 32 26.257 -5.021 -2.158 1.00 0.00 O ATOM 445 CB GLU A 32 28.630 -3.086 -2.211 1.00 0.00 C ATOM 446 CG GLU A 32 29.578 -3.816 -1.275 1.00 0.00 C ATOM 447 CD GLU A 32 29.333 -5.312 -1.247 1.00 0.00 C ATOM 448 OE1 GLU A 32 28.984 -5.875 -2.305 1.00 0.00 O ATOM 449 OE2 GLU A 32 29.491 -5.920 -0.167 1.00 0.00 O ATOM 0 H GLU A 32 28.223 -1.844 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 32 26.598 -2.408 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.553 -3.644 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 32 29.054 -2.112 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 32 30.606 -3.626 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 32 29.468 -3.415 -0.267 1.00 0.00 H new ATOM 456 N LYS A 33 26.500 -4.508 0.019 1.00 0.00 N ATOM 457 CA LYS A 33 25.931 -5.764 0.492 1.00 0.00 C ATOM 458 C LYS A 33 24.564 -5.536 1.130 1.00 0.00 C ATOM 459 O LYS A 33 24.353 -4.580 1.876 1.00 0.00 O ATOM 460 CB LYS A 33 26.872 -6.426 1.501 1.00 0.00 C ATOM 461 CG LYS A 33 26.153 -7.259 2.548 1.00 0.00 C ATOM 462 CD LYS A 33 27.085 -8.273 3.191 1.00 0.00 C ATOM 463 CE LYS A 33 28.313 -7.601 3.787 1.00 0.00 C ATOM 464 NZ LYS A 33 29.330 -8.596 4.228 1.00 0.00 N ATOM 0 H LYS A 33 26.793 -3.872 0.761 1.00 0.00 H new ATOM 0 HA LYS A 33 25.806 -6.424 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.577 -7.061 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.456 -5.654 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.741 -6.604 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.312 -7.777 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.551 -8.816 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.395 -9.007 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 33 28.755 -6.932 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.015 -6.986 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 30.151 -8.099 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 28.916 -9.218 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 29.634 -9.166 3.413 1.00 0.00 H new ATOM 478 N PRO A 34 23.614 -6.435 0.833 1.00 0.00 N ATOM 479 CA PRO A 34 22.252 -6.354 1.369 1.00 0.00 C ATOM 480 C PRO A 34 22.199 -6.647 2.864 1.00 0.00 C ATOM 481 O PRO A 34 23.019 -7.402 3.386 1.00 0.00 O ATOM 482 CB PRO A 34 21.498 -7.431 0.585 1.00 0.00 C ATOM 483 CG PRO A 34 22.547 -8.406 0.175 1.00 0.00 C ATOM 484 CD PRO A 34 23.796 -7.600 -0.050 1.00 0.00 C ATOM 0 HA PRO A 34 21.830 -5.355 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.734 -7.907 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.991 -7.007 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.703 -9.160 0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.255 -8.935 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.691 -8.165 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.899 -7.301 -1.093 1.00 0.00 H new ATOM 492 N GLU A 35 21.230 -6.046 3.547 1.00 0.00 N ATOM 493 CA GLU A 35 21.072 -6.244 4.983 1.00 0.00 C ATOM 494 C GLU A 35 19.630 -6.607 5.327 1.00 0.00 C ATOM 495 O GLU A 35 18.687 -6.098 4.719 1.00 0.00 O ATOM 496 CB GLU A 35 21.487 -4.983 5.743 1.00 0.00 C ATOM 497 CG GLU A 35 21.392 -5.123 7.253 1.00 0.00 C ATOM 498 CD GLU A 35 21.727 -3.836 7.981 1.00 0.00 C ATOM 499 OE1 GLU A 35 20.870 -2.927 8.006 1.00 0.00 O ATOM 500 OE2 GLU A 35 22.847 -3.737 8.525 1.00 0.00 O ATOM 0 H GLU A 35 20.543 -5.418 3.129 1.00 0.00 H new ATOM 0 HA GLU A 35 21.718 -7.069 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.512 -4.728 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.857 -4.153 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 35 20.383 -5.436 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.069 -5.910 7.584 1.00 0.00 H new ATOM 507 N THR A 36 19.465 -7.491 6.306 1.00 0.00 N ATOM 508 CA THR A 36 18.140 -7.923 6.730 1.00 0.00 C ATOM 509 C THR A 36 17.376 -6.784 7.395 1.00 0.00 C ATOM 510 O THR A 36 17.692 -6.382 8.514 1.00 0.00 O ATOM 511 CB THR A 36 18.223 -9.110 7.709 1.00 0.00 C ATOM 512 OG1 THR A 36 19.065 -10.134 7.167 1.00 0.00 O ATOM 513 CG2 THR A 36 16.840 -9.678 7.989 1.00 0.00 C ATOM 0 H THR A 36 20.233 -7.922 6.820 1.00 0.00 H new ATOM 0 HA THR A 36 17.608 -8.238 5.832 1.00 0.00 H new ATOM 0 HB THR A 36 18.647 -8.751 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.114 -10.884 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.924 -10.515 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.211 -8.904 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.393 -10.023 7.057 1.00 0.00 H new ATOM 521 N MET A 37 16.369 -6.267 6.698 1.00 0.00 N ATOM 522 CA MET A 37 15.559 -5.174 7.223 1.00 0.00 C ATOM 523 C MET A 37 14.089 -5.576 7.302 1.00 0.00 C ATOM 524 O MET A 37 13.700 -6.642 6.823 1.00 0.00 O ATOM 525 CB MET A 37 15.713 -3.930 6.346 1.00 0.00 C ATOM 526 CG MET A 37 16.883 -3.046 6.745 1.00 0.00 C ATOM 527 SD MET A 37 16.805 -1.409 5.993 1.00 0.00 S ATOM 528 CE MET A 37 16.825 -0.366 7.449 1.00 0.00 C ATOM 0 H MET A 37 16.095 -6.587 5.769 1.00 0.00 H new ATOM 0 HA MET A 37 15.910 -4.946 8.230 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.840 -4.240 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.794 -3.346 6.394 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.902 -2.943 7.830 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.815 -3.531 6.455 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.049 0.660 7.158 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.850 -0.401 7.935 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.588 -0.722 8.141 1.00 0.00 H new ATOM 538 N THR A 38 13.277 -4.717 7.909 1.00 0.00 N ATOM 539 CA THR A 38 11.851 -4.983 8.051 1.00 0.00 C ATOM 540 C THR A 38 11.019 -3.897 7.380 1.00 0.00 C ATOM 541 O THR A 38 11.308 -2.707 7.516 1.00 0.00 O ATOM 542 CB THR A 38 11.444 -5.084 9.533 1.00 0.00 C ATOM 543 OG1 THR A 38 12.187 -6.127 10.175 1.00 0.00 O ATOM 544 CG2 THR A 38 9.954 -5.360 9.668 1.00 0.00 C ATOM 0 H THR A 38 13.583 -3.831 8.310 1.00 0.00 H new ATOM 0 HA THR A 38 11.658 -5.938 7.562 1.00 0.00 H new ATOM 0 HB THR A 38 11.666 -4.131 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.924 -6.184 11.117 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.691 -5.427 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.391 -4.550 9.204 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.712 -6.301 9.173 1.00 0.00 H new ATOM 552 N CYS A 39 9.985 -4.312 6.657 1.00 0.00 N ATOM 553 CA CYS A 39 9.110 -3.372 5.965 1.00 0.00 C ATOM 554 C CYS A 39 7.652 -3.600 6.352 1.00 0.00 C ATOM 555 O CYS A 39 7.161 -4.729 6.321 1.00 0.00 O ATOM 556 CB CYS A 39 9.275 -3.510 4.451 1.00 0.00 C ATOM 557 SG CYS A 39 10.807 -2.796 3.808 1.00 0.00 S ATOM 0 H CYS A 39 9.732 -5.292 6.535 1.00 0.00 H new ATOM 0 HA CYS A 39 9.393 -2.363 6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.241 -4.567 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.429 -3.031 3.959 1.00 0.00 H new ATOM 0 HG CYS A 39 10.857 -2.964 2.520 1.00 0.00 H new ATOM 563 N ARG A 40 6.967 -2.522 6.717 1.00 0.00 N ATOM 564 CA ARG A 40 5.566 -2.605 7.113 1.00 0.00 C ATOM 565 C ARG A 40 4.860 -1.270 6.896 1.00 0.00 C ATOM 566 O ARG A 40 5.502 -0.247 6.654 1.00 0.00 O ATOM 567 CB ARG A 40 5.453 -3.020 8.581 1.00 0.00 C ATOM 568 CG ARG A 40 5.901 -1.943 9.555 1.00 0.00 C ATOM 569 CD ARG A 40 6.091 -2.503 10.956 1.00 0.00 C ATOM 570 NE ARG A 40 6.249 -1.446 11.952 1.00 0.00 N ATOM 571 CZ ARG A 40 5.229 -0.806 12.512 1.00 0.00 C ATOM 572 NH1 ARG A 40 3.984 -1.114 12.178 1.00 0.00 N ATOM 573 NH2 ARG A 40 5.454 0.144 13.411 1.00 0.00 N ATOM 0 H ARG A 40 7.359 -1.581 6.747 1.00 0.00 H new ATOM 0 HA ARG A 40 5.083 -3.358 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.418 -3.285 8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.051 -3.916 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.836 -1.503 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.162 -1.142 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.233 -3.123 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.968 -3.150 10.972 1.00 0.00 H new ATOM 0 HE ARG A 40 7.194 -1.185 12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.807 -1.845 11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.203 -0.620 12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.411 0.383 13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.670 0.635 13.841 1.00 0.00 H new ATOM 587 N LEU A 41 3.534 -1.287 6.982 1.00 0.00 N ATOM 588 CA LEU A 41 2.740 -0.078 6.794 1.00 0.00 C ATOM 589 C LEU A 41 2.261 0.473 8.134 1.00 0.00 C ATOM 590 O LEU A 41 2.387 -0.184 9.167 1.00 0.00 O ATOM 591 CB LEU A 41 1.540 -0.368 5.891 1.00 0.00 C ATOM 592 CG LEU A 41 1.761 -0.157 4.393 1.00 0.00 C ATOM 593 CD1 LEU A 41 0.720 -0.919 3.587 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.722 1.325 4.051 1.00 0.00 C ATOM 0 H LEU A 41 2.987 -2.124 7.181 1.00 0.00 H new ATOM 0 HA LEU A 41 3.372 0.672 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.232 -1.401 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.711 0.264 6.208 1.00 0.00 H new ATOM 0 HG LEU A 41 2.747 -0.544 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.893 -0.757 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.796 -1.983 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.276 -0.563 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.881 1.456 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.751 1.737 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.506 1.846 4.601 1.00 0.00 H new ATOM 606 N SER A 42 1.709 1.682 8.108 1.00 0.00 N ATOM 607 CA SER A 42 1.213 2.322 9.320 1.00 0.00 C ATOM 608 C SER A 42 -0.271 2.028 9.521 1.00 0.00 C ATOM 609 O SER A 42 -0.900 1.362 8.699 1.00 0.00 O ATOM 610 CB SER A 42 1.441 3.833 9.255 1.00 0.00 C ATOM 611 OG SER A 42 0.525 4.449 8.366 1.00 0.00 O ATOM 0 H SER A 42 1.594 2.238 7.260 1.00 0.00 H new ATOM 0 HA SER A 42 1.765 1.915 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.332 4.264 10.250 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.461 4.036 8.930 1.00 0.00 H new ATOM 0 HG SER A 42 0.690 5.415 8.343 1.00 0.00 H new ATOM 617 N ASN A 43 -0.824 2.531 10.620 1.00 0.00 N ATOM 618 CA ASN A 43 -2.233 2.323 10.930 1.00 0.00 C ATOM 619 C ASN A 43 -3.108 2.624 9.717 1.00 0.00 C ATOM 620 O ASN A 43 -3.999 1.849 9.373 1.00 0.00 O ATOM 621 CB ASN A 43 -2.654 3.205 12.108 1.00 0.00 C ATOM 622 CG ASN A 43 -2.126 4.621 11.986 1.00 0.00 C ATOM 623 OD1 ASN A 43 -2.919 5.498 11.381 1.00 0.00 O flip ATOM 624 ND2 ASN A 43 -1.019 4.923 12.432 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.318 3.085 11.310 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.368 1.276 11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.742 3.230 12.170 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.292 2.764 13.037 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.443 4.216 12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.677 5.880 12.344 1.00 0.00 H new ATOM 631 N ASN A 44 -2.846 3.757 9.073 1.00 0.00 N ATOM 632 CA ASN A 44 -3.608 4.161 7.897 1.00 0.00 C ATOM 633 C ASN A 44 -2.851 3.827 6.616 1.00 0.00 C ATOM 634 O ASN A 44 -3.064 4.452 5.577 1.00 0.00 O ATOM 635 CB ASN A 44 -3.908 5.661 7.949 1.00 0.00 C ATOM 636 CG ASN A 44 -5.180 5.970 8.715 1.00 0.00 C ATOM 637 OD1 ASN A 44 -6.245 6.289 7.989 1.00 0.00 O flip ATOM 638 ND2 ASN A 44 -5.204 5.923 9.945 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.112 4.411 9.346 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.548 3.608 7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.071 6.180 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.996 6.047 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.361 5.673 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.067 6.134 10.447 1.00 0.00 H new ATOM 645 N GLN A 45 -1.968 2.838 6.698 1.00 0.00 N ATOM 646 CA GLN A 45 -1.179 2.420 5.545 1.00 0.00 C ATOM 647 C GLN A 45 -0.903 3.600 4.619 1.00 0.00 C ATOM 648 O GLN A 45 -0.938 3.463 3.396 1.00 0.00 O ATOM 649 CB GLN A 45 -1.904 1.314 4.778 1.00 0.00 C ATOM 650 CG GLN A 45 -3.415 1.480 4.754 1.00 0.00 C ATOM 651 CD GLN A 45 -3.881 2.432 3.669 1.00 0.00 C ATOM 652 OE1 GLN A 45 -4.510 3.451 3.951 1.00 0.00 O ATOM 653 NE2 GLN A 45 -3.572 2.103 2.420 1.00 0.00 N ATOM 0 H GLN A 45 -1.781 2.311 7.551 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.226 2.035 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.533 1.291 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.660 0.351 5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.881 0.506 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.752 1.847 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.049 1.248 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.858 2.705 1.648 1.00 0.00 H new ATOM 662 N ARG A 46 -0.629 4.759 5.210 1.00 0.00 N ATOM 663 CA ARG A 46 -0.348 5.963 4.437 1.00 0.00 C ATOM 664 C ARG A 46 1.132 6.323 4.510 1.00 0.00 C ATOM 665 O ARG A 46 1.581 7.280 3.878 1.00 0.00 O ATOM 666 CB ARG A 46 -1.194 7.131 4.948 1.00 0.00 C ATOM 667 CG ARG A 46 -2.548 7.247 4.267 1.00 0.00 C ATOM 668 CD ARG A 46 -3.285 8.504 4.702 1.00 0.00 C ATOM 669 NE ARG A 46 -2.495 9.710 4.467 1.00 0.00 N ATOM 670 CZ ARG A 46 -2.885 10.926 4.833 1.00 0.00 C ATOM 671 NH1 ARG A 46 -4.047 11.096 5.448 1.00 0.00 N ATOM 672 NH2 ARG A 46 -2.111 11.975 4.584 1.00 0.00 N ATOM 0 H ARG A 46 -0.596 4.889 6.221 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.605 5.765 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.345 7.016 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.642 8.060 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.413 7.259 3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.151 6.370 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.228 8.577 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.531 8.432 5.762 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.595 9.613 3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.644 10.292 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.344 12.031 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.216 11.848 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.411 12.908 4.865 1.00 0.00 H new ATOM 686 N TYR A 47 1.886 5.551 5.286 1.00 0.00 N ATOM 687 CA TYR A 47 3.316 5.791 5.444 1.00 0.00 C ATOM 688 C TYR A 47 4.066 4.481 5.665 1.00 0.00 C ATOM 689 O TYR A 47 3.590 3.590 6.369 1.00 0.00 O ATOM 690 CB TYR A 47 3.568 6.740 6.617 1.00 0.00 C ATOM 691 CG TYR A 47 2.756 8.013 6.551 1.00 0.00 C ATOM 692 CD1 TYR A 47 3.123 9.052 5.704 1.00 0.00 C ATOM 693 CD2 TYR A 47 1.622 8.179 7.336 1.00 0.00 C ATOM 694 CE1 TYR A 47 2.385 10.217 5.641 1.00 0.00 C ATOM 695 CE2 TYR A 47 0.876 9.340 7.278 1.00 0.00 C ATOM 696 CZ TYR A 47 1.262 10.357 6.429 1.00 0.00 C ATOM 697 OH TYR A 47 0.522 11.516 6.370 1.00 0.00 O ATOM 0 H TYR A 47 1.531 4.754 5.815 1.00 0.00 H new ATOM 0 HA TYR A 47 3.686 6.251 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.340 6.222 7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.627 6.996 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.001 8.946 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.318 7.386 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.686 11.015 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.004 9.451 7.894 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.237 11.452 6.987 1.00 0.00 H new ATOM 707 N LEU A 48 5.242 4.371 5.058 1.00 0.00 N ATOM 708 CA LEU A 48 6.061 3.171 5.187 1.00 0.00 C ATOM 709 C LEU A 48 7.245 3.417 6.117 1.00 0.00 C ATOM 710 O LEU A 48 7.824 4.504 6.128 1.00 0.00 O ATOM 711 CB LEU A 48 6.562 2.721 3.814 1.00 0.00 C ATOM 712 CG LEU A 48 5.492 2.233 2.836 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.097 1.985 1.463 1.00 0.00 C ATOM 714 CD2 LEU A 48 4.824 0.972 3.362 1.00 0.00 C ATOM 0 H LEU A 48 5.650 5.099 4.471 1.00 0.00 H new ATOM 0 HA LEU A 48 5.442 2.384 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.095 3.553 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.286 1.919 3.958 1.00 0.00 H new ATOM 0 HG LEU A 48 4.733 3.009 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.321 1.638 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.528 2.911 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.877 1.227 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.066 0.639 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.572 0.189 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.355 1.183 4.323 1.00 0.00 H new ATOM 726 N PHE A 49 7.602 2.400 6.895 1.00 0.00 N ATOM 727 CA PHE A 49 8.718 2.506 7.827 1.00 0.00 C ATOM 728 C PHE A 49 9.675 1.329 7.665 1.00 0.00 C ATOM 729 O PHE A 49 9.285 0.254 7.207 1.00 0.00 O ATOM 730 CB PHE A 49 8.203 2.564 9.267 1.00 0.00 C ATOM 731 CG PHE A 49 7.518 3.857 9.607 1.00 0.00 C ATOM 732 CD1 PHE A 49 8.239 4.925 10.117 1.00 0.00 C ATOM 733 CD2 PHE A 49 6.154 4.003 9.418 1.00 0.00 C ATOM 734 CE1 PHE A 49 7.612 6.116 10.430 1.00 0.00 C ATOM 735 CE2 PHE A 49 5.521 5.192 9.729 1.00 0.00 C ATOM 736 CZ PHE A 49 6.251 6.249 10.237 1.00 0.00 C ATOM 0 H PHE A 49 7.134 1.493 6.898 1.00 0.00 H new ATOM 0 HA PHE A 49 9.259 3.425 7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.508 1.740 9.429 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.039 2.415 9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.303 4.825 10.272 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.578 3.179 9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.185 6.942 10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.457 5.294 9.575 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.758 7.178 10.483 1.00 0.00 H new ATOM 746 N LEU A 50 10.932 1.540 8.042 1.00 0.00 N ATOM 747 CA LEU A 50 11.947 0.498 7.938 1.00 0.00 C ATOM 748 C LEU A 50 12.703 0.340 9.253 1.00 0.00 C ATOM 749 O LEU A 50 12.704 1.242 10.091 1.00 0.00 O ATOM 750 CB LEU A 50 12.927 0.824 6.809 1.00 0.00 C ATOM 751 CG LEU A 50 12.311 1.378 5.524 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.377 2.036 4.662 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.604 0.273 4.752 1.00 0.00 C ATOM 0 H LEU A 50 11.272 2.423 8.422 1.00 0.00 H new ATOM 0 HA LEU A 50 11.444 -0.443 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.652 1.548 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.480 -0.082 6.562 1.00 0.00 H new ATOM 0 HG LEU A 50 11.574 2.134 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.920 2.424 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.838 2.855 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.138 1.301 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.172 0.685 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.321 -0.506 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.812 -0.153 5.369 1.00 0.00 H new ATOM 765 N ASP A 51 13.345 -0.809 9.426 1.00 0.00 N ATOM 766 CA ASP A 51 14.108 -1.084 10.639 1.00 0.00 C ATOM 767 C ASP A 51 15.364 -1.889 10.320 1.00 0.00 C ATOM 768 O ASP A 51 15.310 -2.883 9.598 1.00 0.00 O ATOM 769 CB ASP A 51 13.245 -1.841 11.649 1.00 0.00 C ATOM 770 CG ASP A 51 13.641 -1.548 13.083 1.00 0.00 C ATOM 771 OD1 ASP A 51 13.262 -0.474 13.596 1.00 0.00 O ATOM 772 OD2 ASP A 51 14.331 -2.392 13.693 1.00 0.00 O ATOM 0 H ASP A 51 13.353 -1.566 8.742 1.00 0.00 H new ATOM 0 HA ASP A 51 14.410 -0.131 11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.199 -1.573 11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.329 -2.912 11.464 1.00 0.00 H new ATOM 777 N GLY A 52 16.496 -1.451 10.864 1.00 0.00 N ATOM 778 CA GLY A 52 17.749 -2.141 10.625 1.00 0.00 C ATOM 779 C GLY A 52 18.953 -1.241 10.820 1.00 0.00 C ATOM 780 O GLY A 52 19.183 -0.730 11.916 1.00 0.00 O ATOM 0 H GLY A 52 16.567 -0.631 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.824 -2.995 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.755 -2.535 9.609 1.00 0.00 H new ATOM 784 N ASP A 53 19.724 -1.048 9.755 1.00 0.00 N ATOM 785 CA ASP A 53 20.912 -0.204 9.814 1.00 0.00 C ATOM 786 C ASP A 53 20.675 1.005 10.713 1.00 0.00 C ATOM 787 O ASP A 53 21.514 1.346 11.546 1.00 0.00 O ATOM 788 CB ASP A 53 21.306 0.257 8.410 1.00 0.00 C ATOM 789 CG ASP A 53 22.219 -0.731 7.711 1.00 0.00 C ATOM 790 OD1 ASP A 53 23.062 -1.348 8.395 1.00 0.00 O ATOM 791 OD2 ASP A 53 22.089 -0.888 6.479 1.00 0.00 O ATOM 0 H ASP A 53 19.548 -1.464 8.841 1.00 0.00 H new ATOM 0 HA ASP A 53 21.726 -0.793 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.406 0.401 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.804 1.224 8.475 1.00 0.00 H new ATOM 796 N SER A 54 19.527 1.651 10.536 1.00 0.00 N ATOM 797 CA SER A 54 19.181 2.826 11.328 1.00 0.00 C ATOM 798 C SER A 54 17.709 3.187 11.151 1.00 0.00 C ATOM 799 O SER A 54 17.031 2.662 10.267 1.00 0.00 O ATOM 800 CB SER A 54 20.060 4.013 10.928 1.00 0.00 C ATOM 801 OG SER A 54 20.206 4.925 12.004 1.00 0.00 O ATOM 0 H SER A 54 18.821 1.381 9.851 1.00 0.00 H new ATOM 0 HA SER A 54 19.356 2.590 12.378 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.041 3.654 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.620 4.524 10.072 1.00 0.00 H new ATOM 0 HG SER A 54 20.773 5.673 11.724 1.00 0.00 H new ATOM 807 N HIS A 55 17.221 4.086 11.999 1.00 0.00 N ATOM 808 CA HIS A 55 15.829 4.519 11.938 1.00 0.00 C ATOM 809 C HIS A 55 15.526 5.184 10.599 1.00 0.00 C ATOM 810 O HIS A 55 15.933 6.320 10.352 1.00 0.00 O ATOM 811 CB HIS A 55 15.522 5.485 13.082 1.00 0.00 C ATOM 812 CG HIS A 55 14.121 5.374 13.600 1.00 0.00 C ATOM 813 ND1 HIS A 55 13.221 6.417 13.565 1.00 0.00 N ATOM 814 CD2 HIS A 55 13.467 4.333 14.167 1.00 0.00 C ATOM 815 CE1 HIS A 55 12.074 6.024 14.090 1.00 0.00 C ATOM 816 NE2 HIS A 55 12.197 4.762 14.462 1.00 0.00 N ATOM 0 H HIS A 55 17.768 4.529 12.737 1.00 0.00 H new ATOM 0 HA HIS A 55 15.195 3.638 12.038 1.00 0.00 H new ATOM 0 HB2 HIS A 55 16.219 5.300 13.900 1.00 0.00 H new ATOM 0 HB3 HIS A 55 15.695 6.506 12.741 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.870 3.348 14.353 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.187 6.631 14.197 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.467 4.198 14.898 1.00 0.00 H new ATOM 824 N TYR A 56 14.809 4.470 9.738 1.00 0.00 N ATOM 825 CA TYR A 56 14.455 4.990 8.423 1.00 0.00 C ATOM 826 C TYR A 56 12.940 5.022 8.240 1.00 0.00 C ATOM 827 O TYR A 56 12.224 4.166 8.757 1.00 0.00 O ATOM 828 CB TYR A 56 15.094 4.139 7.325 1.00 0.00 C ATOM 829 CG TYR A 56 16.453 4.638 6.886 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.542 4.593 7.746 1.00 0.00 C ATOM 831 CD2 TYR A 56 16.646 5.152 5.610 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.785 5.048 7.350 1.00 0.00 C ATOM 833 CE2 TYR A 56 17.886 5.608 5.204 1.00 0.00 C ATOM 834 CZ TYR A 56 18.951 5.555 6.078 1.00 0.00 C ATOM 835 OH TYR A 56 20.188 6.008 5.678 1.00 0.00 O ATOM 0 H TYR A 56 14.462 3.530 9.927 1.00 0.00 H new ATOM 0 HA TYR A 56 14.834 6.009 8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.191 3.114 7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.429 4.115 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.415 4.195 8.742 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.813 5.196 4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 56 19.621 5.007 8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.020 6.004 4.208 1.00 0.00 H new ATOM 0 HH TYR A 56 20.135 6.332 4.755 1.00 0.00 H new ATOM 845 N GLU A 57 12.461 6.017 7.500 1.00 0.00 N ATOM 846 CA GLU A 57 11.032 6.161 7.248 1.00 0.00 C ATOM 847 C GLU A 57 10.777 6.684 5.837 1.00 0.00 C ATOM 848 O GLU A 57 11.396 7.657 5.404 1.00 0.00 O ATOM 849 CB GLU A 57 10.403 7.105 8.275 1.00 0.00 C ATOM 850 CG GLU A 57 9.216 7.886 7.738 1.00 0.00 C ATOM 851 CD GLU A 57 8.670 8.882 8.742 1.00 0.00 C ATOM 852 OE1 GLU A 57 9.442 9.329 9.615 1.00 0.00 O ATOM 853 OE2 GLU A 57 7.469 9.216 8.654 1.00 0.00 O ATOM 0 H GLU A 57 13.041 6.735 7.065 1.00 0.00 H new ATOM 0 HA GLU A 57 10.573 5.177 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.084 6.525 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.161 7.807 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.514 8.415 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.426 7.190 7.456 1.00 0.00 H new ATOM 860 N ILE A 58 9.864 6.032 5.127 1.00 0.00 N ATOM 861 CA ILE A 58 9.528 6.431 3.766 1.00 0.00 C ATOM 862 C ILE A 58 8.028 6.664 3.616 1.00 0.00 C ATOM 863 O ILE A 58 7.235 5.726 3.682 1.00 0.00 O ATOM 864 CB ILE A 58 9.976 5.372 2.741 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.479 5.113 2.867 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.627 5.820 1.330 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.912 3.781 2.296 1.00 0.00 C ATOM 0 H ILE A 58 9.343 5.225 5.471 1.00 0.00 H new ATOM 0 HA ILE A 58 10.060 7.362 3.570 1.00 0.00 H new ATOM 0 HB ILE A 58 9.447 4.441 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.021 5.911 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.760 5.157 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.950 5.061 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.549 5.959 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.132 6.761 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.989 3.665 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.397 2.976 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.662 3.741 1.236 1.00 0.00 H new ATOM 879 N GLU A 59 7.648 7.922 3.412 1.00 0.00 N ATOM 880 CA GLU A 59 6.243 8.277 3.252 1.00 0.00 C ATOM 881 C GLU A 59 5.793 8.080 1.807 1.00 0.00 C ATOM 882 O GLU A 59 6.536 8.370 0.869 1.00 0.00 O ATOM 883 CB GLU A 59 6.009 9.729 3.676 1.00 0.00 C ATOM 884 CG GLU A 59 6.492 10.037 5.084 1.00 0.00 C ATOM 885 CD GLU A 59 6.169 8.928 6.066 1.00 0.00 C ATOM 886 OE1 GLU A 59 6.639 7.791 5.854 1.00 0.00 O ATOM 887 OE2 GLU A 59 5.445 9.198 7.048 1.00 0.00 O ATOM 0 H GLU A 59 8.292 8.711 3.354 1.00 0.00 H new ATOM 0 HA GLU A 59 5.654 7.619 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.517 10.390 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.944 9.951 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.570 10.200 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.035 10.965 5.426 1.00 0.00 H new ATOM 894 N ILE A 60 4.572 7.583 1.637 1.00 0.00 N ATOM 895 CA ILE A 60 4.023 7.347 0.307 1.00 0.00 C ATOM 896 C ILE A 60 3.836 8.657 -0.451 1.00 0.00 C ATOM 897 O ILE A 60 3.700 8.665 -1.674 1.00 0.00 O ATOM 898 CB ILE A 60 2.672 6.611 0.379 1.00 0.00 C ATOM 899 CG1 ILE A 60 2.836 5.267 1.093 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.105 6.408 -1.018 1.00 0.00 C ATOM 901 CD1 ILE A 60 1.522 4.589 1.413 1.00 0.00 C ATOM 0 H ILE A 60 3.945 7.336 2.403 1.00 0.00 H new ATOM 0 HA ILE A 60 4.740 6.722 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 60 1.972 7.222 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.435 4.604 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.391 5.422 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.150 5.887 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.957 7.377 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.801 5.815 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.714 3.642 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.929 5.233 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.974 4.402 0.489 1.00 0.00 H new ATOM 913 N VAL A 61 3.831 9.764 0.285 1.00 0.00 N ATOM 914 CA VAL A 61 3.663 11.081 -0.318 1.00 0.00 C ATOM 915 C VAL A 61 4.928 11.516 -1.050 1.00 0.00 C ATOM 916 O VAL A 61 4.899 12.434 -1.870 1.00 0.00 O ATOM 917 CB VAL A 61 3.306 12.142 0.740 1.00 0.00 C ATOM 918 CG1 VAL A 61 1.882 11.943 1.237 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.294 12.094 1.896 1.00 0.00 C ATOM 0 H VAL A 61 3.941 9.775 1.299 1.00 0.00 H new ATOM 0 HA VAL A 61 2.843 10.999 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 61 3.370 13.127 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.648 12.702 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.189 12.031 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.787 10.953 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.027 12.850 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.264 11.108 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.300 12.290 1.524 1.00 0.00 H new ATOM 929 N HIS A 62 6.038 10.849 -0.749 1.00 0.00 N ATOM 930 CA HIS A 62 7.315 11.165 -1.380 1.00 0.00 C ATOM 931 C HIS A 62 7.636 10.166 -2.487 1.00 0.00 C ATOM 932 O HIS A 62 8.280 10.510 -3.478 1.00 0.00 O ATOM 933 CB HIS A 62 8.435 11.168 -0.339 1.00 0.00 C ATOM 934 CG HIS A 62 8.605 12.485 0.354 1.00 0.00 C ATOM 935 ND1 HIS A 62 9.469 13.463 -0.091 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.014 12.984 1.465 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.404 14.506 0.718 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.528 14.241 1.670 1.00 0.00 N ATOM 0 H HIS A 62 6.079 10.087 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 62 7.238 12.158 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.230 10.399 0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.373 10.899 -0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.276 12.486 2.076 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.971 15.420 0.618 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.274 14.868 2.434 1.00 0.00 H new ATOM 946 N ILE A 63 7.183 8.929 -2.311 1.00 0.00 N ATOM 947 CA ILE A 63 7.423 7.882 -3.295 1.00 0.00 C ATOM 948 C ILE A 63 6.894 8.285 -4.667 1.00 0.00 C ATOM 949 O ILE A 63 5.708 8.574 -4.827 1.00 0.00 O ATOM 950 CB ILE A 63 6.766 6.553 -2.875 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.199 6.172 -1.458 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.125 5.450 -3.859 1.00 0.00 C ATOM 953 CD1 ILE A 63 6.556 4.899 -0.952 1.00 0.00 C ATOM 0 H ILE A 63 6.648 8.628 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 63 8.503 7.743 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 63 5.684 6.681 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.283 6.056 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.953 6.989 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.653 4.518 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.772 5.721 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.207 5.320 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.908 4.690 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.473 5.018 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.823 4.071 -1.608 1.00 0.00 H new ATOM 965 N SER A 64 7.781 8.302 -5.657 1.00 0.00 N ATOM 966 CA SER A 64 7.405 8.672 -7.016 1.00 0.00 C ATOM 967 C SER A 64 6.940 7.450 -7.803 1.00 0.00 C ATOM 968 O SER A 64 5.768 7.336 -8.162 1.00 0.00 O ATOM 969 CB SER A 64 8.583 9.335 -7.731 1.00 0.00 C ATOM 970 OG SER A 64 8.891 10.591 -7.151 1.00 0.00 O ATOM 0 H SER A 64 8.766 8.063 -5.543 1.00 0.00 H new ATOM 0 HA SER A 64 6.579 9.381 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.456 8.684 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.344 9.467 -8.786 1.00 0.00 H new ATOM 0 HG SER A 64 9.649 10.993 -7.625 1.00 0.00 H new ATOM 976 N THR A 65 7.869 6.536 -8.068 1.00 0.00 N ATOM 977 CA THR A 65 7.557 5.323 -8.812 1.00 0.00 C ATOM 978 C THR A 65 7.539 4.105 -7.896 1.00 0.00 C ATOM 979 O THR A 65 8.159 4.106 -6.833 1.00 0.00 O ATOM 980 CB THR A 65 8.572 5.084 -9.946 1.00 0.00 C ATOM 981 OG1 THR A 65 8.656 6.244 -10.782 1.00 0.00 O ATOM 982 CG2 THR A 65 8.173 3.878 -10.784 1.00 0.00 C ATOM 0 H THR A 65 8.844 6.614 -7.778 1.00 0.00 H new ATOM 0 HA THR A 65 6.566 5.463 -9.244 1.00 0.00 H new ATOM 0 HB THR A 65 9.546 4.889 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.305 6.084 -11.499 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.904 3.729 -11.578 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.138 2.991 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.190 4.049 -11.223 1.00 0.00 H new ATOM 990 N VAL A 66 6.826 3.065 -8.316 1.00 0.00 N ATOM 991 CA VAL A 66 6.729 1.838 -7.534 1.00 0.00 C ATOM 992 C VAL A 66 6.583 0.620 -8.438 1.00 0.00 C ATOM 993 O VAL A 66 5.528 0.397 -9.029 1.00 0.00 O ATOM 994 CB VAL A 66 5.536 1.886 -6.560 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.491 0.627 -5.708 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.613 3.129 -5.685 1.00 0.00 C ATOM 0 H VAL A 66 6.307 3.048 -9.194 1.00 0.00 H new ATOM 0 HA VAL A 66 7.653 1.754 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 66 4.616 1.935 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.642 0.679 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.386 -0.245 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.413 0.544 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.763 3.147 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.539 3.113 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.592 4.019 -6.314 1.00 0.00 H new ATOM 1006 N GLN A 67 7.651 -0.166 -8.540 1.00 0.00 N ATOM 1007 CA GLN A 67 7.642 -1.363 -9.373 1.00 0.00 C ATOM 1008 C GLN A 67 8.149 -2.572 -8.594 1.00 0.00 C ATOM 1009 O GLN A 67 8.893 -2.429 -7.623 1.00 0.00 O ATOM 1010 CB GLN A 67 8.500 -1.148 -10.620 1.00 0.00 C ATOM 1011 CG GLN A 67 9.993 -1.128 -10.335 1.00 0.00 C ATOM 1012 CD GLN A 67 10.824 -0.924 -11.587 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.422 -0.205 -12.502 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.990 -1.557 -11.633 1.00 0.00 N ATOM 0 H GLN A 67 8.533 0.005 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 67 6.613 -1.556 -9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.286 -1.939 -11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.215 -0.206 -11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.213 -0.331 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.281 -2.066 -9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.283 -2.143 -10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.593 -1.457 -12.450 1.00 0.00 H new ATOM 1023 N ILE A 68 7.741 -3.761 -9.025 1.00 0.00 N ATOM 1024 CA ILE A 68 8.155 -4.994 -8.368 1.00 0.00 C ATOM 1025 C ILE A 68 9.187 -5.742 -9.204 1.00 0.00 C ATOM 1026 O ILE A 68 9.008 -5.933 -10.408 1.00 0.00 O ATOM 1027 CB ILE A 68 6.954 -5.922 -8.105 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.927 -5.223 -7.212 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.420 -7.223 -7.468 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.670 -6.033 -6.988 1.00 0.00 C ATOM 0 H ILE A 68 7.124 -3.896 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 68 8.600 -4.710 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 68 6.479 -6.156 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.385 -5.004 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.658 -4.267 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.560 -7.868 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.118 -7.726 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.916 -7.008 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.988 -5.476 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.188 -6.230 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.927 -6.978 -6.510 1.00 0.00 H new ATOM 1042 N LEU A 69 10.268 -6.167 -8.559 1.00 0.00 N ATOM 1043 CA LEU A 69 11.330 -6.897 -9.242 1.00 0.00 C ATOM 1044 C LEU A 69 10.972 -8.373 -9.384 1.00 0.00 C ATOM 1045 O LEU A 69 10.331 -8.955 -8.509 1.00 0.00 O ATOM 1046 CB LEU A 69 12.648 -6.751 -8.479 1.00 0.00 C ATOM 1047 CG LEU A 69 13.201 -5.331 -8.358 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.507 -5.330 -7.579 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.399 -4.716 -9.736 1.00 0.00 C ATOM 0 H LEU A 69 10.432 -6.018 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 69 11.446 -6.473 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.509 -7.152 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.399 -7.371 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 69 12.477 -4.726 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.885 -4.310 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.334 -5.728 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.239 -5.951 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.793 -3.705 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.102 -5.322 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.443 -4.680 -10.259 1.00 0.00 H new ATOM 1061 N THR A 70 11.392 -8.974 -10.493 1.00 0.00 N ATOM 1062 CA THR A 70 11.116 -10.382 -10.750 1.00 0.00 C ATOM 1063 C THR A 70 12.315 -11.067 -11.397 1.00 0.00 C ATOM 1064 O THR A 70 12.624 -10.825 -12.563 1.00 0.00 O ATOM 1065 CB THR A 70 9.886 -10.557 -11.661 1.00 0.00 C ATOM 1066 OG1 THR A 70 10.017 -9.732 -12.825 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.608 -10.196 -10.919 1.00 0.00 C ATOM 0 H THR A 70 11.924 -8.508 -11.227 1.00 0.00 H new ATOM 0 HA THR A 70 10.912 -10.846 -9.785 1.00 0.00 H new ATOM 0 HB THR A 70 9.830 -11.603 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.930 -9.803 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.753 -10.327 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.496 -10.844 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.658 -9.157 -10.592 1.00 0.00 H new ATOM 1214 N ALA A 82 7.033 -12.768 -7.725 1.00 0.00 N ATOM 1215 CA ALA A 82 7.737 -11.621 -7.164 1.00 0.00 C ATOM 1216 C ALA A 82 8.945 -12.065 -6.347 1.00 0.00 C ATOM 1217 O ALA A 82 8.808 -12.775 -5.350 1.00 0.00 O ATOM 1218 CB ALA A 82 6.793 -10.792 -6.305 1.00 0.00 C ATOM 0 HA ALA A 82 8.095 -11.006 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.331 -9.939 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.963 -10.437 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.408 -11.406 -5.491 1.00 0.00 H new ATOM 1224 N THR A 83 10.131 -11.644 -6.776 1.00 0.00 N ATOM 1225 CA THR A 83 11.364 -11.999 -6.086 1.00 0.00 C ATOM 1226 C THR A 83 12.087 -10.757 -5.577 1.00 0.00 C ATOM 1227 O THR A 83 13.277 -10.804 -5.266 1.00 0.00 O ATOM 1228 CB THR A 83 12.314 -12.792 -7.004 1.00 0.00 C ATOM 1229 OG1 THR A 83 11.605 -13.866 -7.631 1.00 0.00 O ATOM 1230 CG2 THR A 83 13.491 -13.346 -6.217 1.00 0.00 C ATOM 0 H THR A 83 10.263 -11.056 -7.599 1.00 0.00 H new ATOM 0 HA THR A 83 11.083 -12.625 -5.239 1.00 0.00 H new ATOM 0 HB THR A 83 12.696 -12.114 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.215 -14.364 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.147 -13.902 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.046 -12.524 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.125 -14.010 -5.434 1.00 0.00 H new ATOM 1238 N GLY A 84 11.360 -9.647 -5.493 1.00 0.00 N ATOM 1239 CA GLY A 84 11.950 -8.408 -5.021 1.00 0.00 C ATOM 1240 C GLY A 84 11.049 -7.212 -5.254 1.00 0.00 C ATOM 1241 O GLY A 84 9.911 -7.360 -5.698 1.00 0.00 O ATOM 0 H GLY A 84 10.373 -9.584 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.166 -8.494 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.902 -8.246 -5.527 1.00 0.00 H new ATOM 1245 N MET A 85 11.559 -6.022 -4.953 1.00 0.00 N ATOM 1246 CA MET A 85 10.792 -4.794 -5.133 1.00 0.00 C ATOM 1247 C MET A 85 11.716 -3.611 -5.405 1.00 0.00 C ATOM 1248 O MET A 85 12.809 -3.523 -4.845 1.00 0.00 O ATOM 1249 CB MET A 85 9.937 -4.516 -3.895 1.00 0.00 C ATOM 1250 CG MET A 85 9.116 -3.241 -3.998 1.00 0.00 C ATOM 1251 SD MET A 85 7.653 -3.270 -2.945 1.00 0.00 S ATOM 1252 CE MET A 85 6.353 -3.106 -4.167 1.00 0.00 C ATOM 0 H MET A 85 12.499 -5.882 -4.584 1.00 0.00 H new ATOM 0 HA MET A 85 10.138 -4.926 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.265 -5.359 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.586 -4.451 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.739 -2.389 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.810 -3.093 -5.034 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.742 -2.234 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.796 -2.984 -5.155 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.729 -4.000 -4.157 1.00 0.00 H new ATOM 1262 N PHE A 86 11.269 -2.703 -6.266 1.00 0.00 N ATOM 1263 CA PHE A 86 12.056 -1.525 -6.612 1.00 0.00 C ATOM 1264 C PHE A 86 11.217 -0.256 -6.494 1.00 0.00 C ATOM 1265 O PHE A 86 10.435 0.070 -7.387 1.00 0.00 O ATOM 1266 CB PHE A 86 12.608 -1.654 -8.033 1.00 0.00 C ATOM 1267 CG PHE A 86 13.703 -0.673 -8.343 1.00 0.00 C ATOM 1268 CD1 PHE A 86 13.402 0.590 -8.826 1.00 0.00 C ATOM 1269 CD2 PHE A 86 15.032 -1.015 -8.151 1.00 0.00 C ATOM 1270 CE1 PHE A 86 14.407 1.495 -9.111 1.00 0.00 C ATOM 1271 CE2 PHE A 86 16.040 -0.114 -8.434 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.728 1.143 -8.916 1.00 0.00 C ATOM 0 H PHE A 86 10.366 -2.760 -6.737 1.00 0.00 H new ATOM 0 HA PHE A 86 12.888 -1.456 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.987 -2.666 -8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.794 -1.514 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.371 0.871 -8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.282 -1.996 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.159 2.477 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.072 -0.392 -8.279 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.515 1.848 -9.140 1.00 0.00 H new ATOM 1282 N LEU A 87 11.386 0.455 -5.385 1.00 0.00 N ATOM 1283 CA LEU A 87 10.644 1.689 -5.147 1.00 0.00 C ATOM 1284 C LEU A 87 11.528 2.910 -5.384 1.00 0.00 C ATOM 1285 O LEU A 87 12.745 2.848 -5.213 1.00 0.00 O ATOM 1286 CB LEU A 87 10.097 1.711 -3.719 1.00 0.00 C ATOM 1287 CG LEU A 87 9.263 0.500 -3.301 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.250 0.358 -1.787 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.845 0.616 -3.840 1.00 0.00 C ATOM 0 H LEU A 87 12.030 0.199 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 87 9.811 1.724 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.937 1.803 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.487 2.606 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 87 9.719 -0.394 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.652 -0.509 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.270 0.227 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.819 1.255 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.266 -0.255 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.379 1.519 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.873 0.667 -4.928 1.00 0.00 H new ATOM 1301 N GLN A 88 10.906 4.017 -5.776 1.00 0.00 N ATOM 1302 CA GLN A 88 11.637 5.252 -6.035 1.00 0.00 C ATOM 1303 C GLN A 88 11.039 6.413 -5.247 1.00 0.00 C ATOM 1304 O GLN A 88 9.834 6.657 -5.300 1.00 0.00 O ATOM 1305 CB GLN A 88 11.623 5.574 -7.530 1.00 0.00 C ATOM 1306 CG GLN A 88 12.523 4.670 -8.356 1.00 0.00 C ATOM 1307 CD GLN A 88 12.540 5.047 -9.824 1.00 0.00 C ATOM 1308 OE1 GLN A 88 11.635 4.692 -10.579 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.574 5.771 -10.238 1.00 0.00 N ATOM 0 H GLN A 88 9.899 4.084 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 88 12.668 5.109 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.601 5.492 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.932 6.609 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.538 4.716 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.187 3.638 -8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.302 6.044 -9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.639 6.054 -11.216 1.00 0.00 H new ATOM 1318 N TYR A 89 11.890 7.125 -4.516 1.00 0.00 N ATOM 1319 CA TYR A 89 11.446 8.259 -3.714 1.00 0.00 C ATOM 1320 C TYR A 89 12.457 9.400 -3.776 1.00 0.00 C ATOM 1321 O TYR A 89 13.665 9.172 -3.848 1.00 0.00 O ATOM 1322 CB TYR A 89 11.232 7.831 -2.262 1.00 0.00 C ATOM 1323 CG TYR A 89 12.424 7.126 -1.656 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.572 7.831 -1.314 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.404 5.756 -1.427 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.664 7.191 -0.760 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.492 5.108 -0.873 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.619 5.830 -0.542 1.00 0.00 C ATOM 1329 OH TYR A 89 15.705 5.189 0.009 1.00 0.00 O ATOM 0 H TYR A 89 12.891 6.937 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 89 10.500 8.613 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.998 8.711 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.366 7.171 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.611 8.897 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.523 5.187 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.548 7.754 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.459 4.042 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 89 15.510 4.233 0.097 1.00 0.00 H new ATOM 1339 N THR A 90 11.954 10.630 -3.747 1.00 0.00 N ATOM 1340 CA THR A 90 12.812 11.807 -3.800 1.00 0.00 C ATOM 1341 C THR A 90 13.066 12.366 -2.405 1.00 0.00 C ATOM 1342 O THR A 90 12.174 12.374 -1.557 1.00 0.00 O ATOM 1343 CB THR A 90 12.195 12.912 -4.678 1.00 0.00 C ATOM 1344 OG1 THR A 90 10.948 13.343 -4.120 1.00 0.00 O ATOM 1345 CG2 THR A 90 11.975 12.415 -6.099 1.00 0.00 C ATOM 0 H THR A 90 10.957 10.837 -3.687 1.00 0.00 H new ATOM 0 HA THR A 90 13.758 11.489 -4.239 1.00 0.00 H new ATOM 0 HB THR A 90 12.889 13.752 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.563 14.047 -4.683 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.539 13.213 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.930 12.116 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.299 11.560 -6.085 1.00 0.00 H new ATOM 1353 N VAL A 91 14.289 12.832 -2.173 1.00 0.00 N ATOM 1354 CA VAL A 91 14.660 13.395 -0.880 1.00 0.00 C ATOM 1355 C VAL A 91 14.882 14.900 -0.978 1.00 0.00 C ATOM 1356 O VAL A 91 15.644 15.387 -1.813 1.00 0.00 O ATOM 1357 CB VAL A 91 15.936 12.734 -0.326 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.341 13.376 0.992 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.731 11.236 -0.158 1.00 0.00 C ATOM 0 H VAL A 91 15.040 12.831 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 91 13.832 13.197 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 91 16.744 12.889 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.244 12.896 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.532 14.438 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.537 13.255 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.643 10.786 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.910 11.057 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.493 10.791 -1.124 1.00 0.00 H new ATOM 1369 N PRO A 92 14.200 15.656 -0.105 1.00 0.00 N ATOM 1370 CA PRO A 92 14.307 17.118 -0.073 1.00 0.00 C ATOM 1371 C PRO A 92 15.667 17.589 0.431 1.00 0.00 C ATOM 1372 O PRO A 92 16.219 18.568 -0.069 1.00 0.00 O ATOM 1373 CB PRO A 92 13.202 17.533 0.902 1.00 0.00 C ATOM 1374 CG PRO A 92 13.007 16.346 1.781 1.00 0.00 C ATOM 1375 CD PRO A 92 13.273 15.143 0.917 1.00 0.00 C ATOM 0 HA PRO A 92 14.205 17.556 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.493 18.410 1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.284 17.790 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.688 16.374 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.995 16.321 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.716 14.328 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.356 14.758 0.471 1.00 0.00 H new ATOM 1383 N GLY A 93 16.202 16.885 1.423 1.00 0.00 N ATOM 1384 CA GLY A 93 17.493 17.246 1.978 1.00 0.00 C ATOM 1385 C GLY A 93 18.645 16.827 1.086 1.00 0.00 C ATOM 1386 O GLY A 93 19.786 17.239 1.296 1.00 0.00 O ATOM 0 H GLY A 93 15.764 16.070 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.530 18.324 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.607 16.780 2.957 1.00 0.00 H new ATOM 1390 N THR A 94 18.347 16.003 0.085 1.00 0.00 N ATOM 1391 CA THR A 94 19.367 15.525 -0.840 1.00 0.00 C ATOM 1392 C THR A 94 19.002 15.862 -2.282 1.00 0.00 C ATOM 1393 O THR A 94 17.827 15.880 -2.646 1.00 0.00 O ATOM 1394 CB THR A 94 19.569 14.003 -0.716 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.179 13.691 0.541 1.00 0.00 O ATOM 1396 CG2 THR A 94 20.436 13.478 -1.850 1.00 0.00 C ATOM 0 H THR A 94 17.408 15.653 -0.105 1.00 0.00 H new ATOM 0 HA THR A 94 20.296 16.030 -0.575 1.00 0.00 H new ATOM 0 HB THR A 94 18.592 13.523 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.303 12.721 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.565 12.401 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 94 19.955 13.691 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.411 13.965 -1.818 1.00 0.00 H new ATOM 1404 N GLU A 95 20.017 16.128 -3.097 1.00 0.00 N ATOM 1405 CA GLU A 95 19.802 16.464 -4.500 1.00 0.00 C ATOM 1406 C GLU A 95 19.846 15.213 -5.372 1.00 0.00 C ATOM 1407 O GLU A 95 20.890 14.579 -5.514 1.00 0.00 O ATOM 1408 CB GLU A 95 20.855 17.468 -4.974 1.00 0.00 C ATOM 1409 CG GLU A 95 20.701 18.849 -4.358 1.00 0.00 C ATOM 1410 CD GLU A 95 21.369 18.960 -3.002 1.00 0.00 C ATOM 1411 OE1 GLU A 95 22.505 18.462 -2.857 1.00 0.00 O ATOM 1412 OE2 GLU A 95 20.755 19.545 -2.085 1.00 0.00 O ATOM 0 H GLU A 95 20.996 16.118 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 95 18.814 16.915 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.846 17.082 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.799 17.555 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.128 19.593 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.641 19.082 -4.257 1.00 0.00 H new ATOM 1419 N GLY A 96 18.703 14.864 -5.955 1.00 0.00 N ATOM 1420 CA GLY A 96 18.632 13.691 -6.806 1.00 0.00 C ATOM 1421 C GLY A 96 17.582 12.701 -6.341 1.00 0.00 C ATOM 1422 O GLY A 96 16.874 12.947 -5.364 1.00 0.00 O ATOM 0 H GLY A 96 17.825 15.373 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.409 14.000 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.605 13.201 -6.826 1.00 0.00 H new ATOM 1426 N VAL A 97 17.479 11.576 -7.043 1.00 0.00 N ATOM 1427 CA VAL A 97 16.508 10.545 -6.698 1.00 0.00 C ATOM 1428 C VAL A 97 17.194 9.322 -6.100 1.00 0.00 C ATOM 1429 O VAL A 97 18.323 8.990 -6.463 1.00 0.00 O ATOM 1430 CB VAL A 97 15.689 10.112 -7.927 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.622 9.102 -7.530 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.063 11.322 -8.605 1.00 0.00 C ATOM 0 H VAL A 97 18.057 11.356 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 97 15.836 10.978 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 97 16.362 9.633 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.053 8.808 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.097 8.223 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.950 9.551 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.488 10.996 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.404 11.832 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.849 12.006 -8.927 1.00 0.00 H new ATOM 1442 N THR A 98 16.504 8.653 -5.181 1.00 0.00 N ATOM 1443 CA THR A 98 17.047 7.467 -4.532 1.00 0.00 C ATOM 1444 C THR A 98 16.126 6.267 -4.722 1.00 0.00 C ATOM 1445 O THR A 98 14.909 6.378 -4.576 1.00 0.00 O ATOM 1446 CB THR A 98 17.263 7.700 -3.025 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.085 8.854 -2.820 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.913 6.486 -2.377 1.00 0.00 C ATOM 0 H THR A 98 15.568 8.913 -4.870 1.00 0.00 H new ATOM 0 HA THR A 98 18.009 7.262 -5.002 1.00 0.00 H new ATOM 0 HB THR A 98 16.290 7.862 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.216 8.996 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 98 18.056 6.674 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.270 5.616 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.879 6.298 -2.845 1.00 0.00 H new ATOM 1456 N GLN A 99 16.715 5.121 -5.048 1.00 0.00 N ATOM 1457 CA GLN A 99 15.946 3.900 -5.258 1.00 0.00 C ATOM 1458 C GLN A 99 16.163 2.916 -4.113 1.00 0.00 C ATOM 1459 O GLN A 99 17.195 2.947 -3.441 1.00 0.00 O ATOM 1460 CB GLN A 99 16.335 3.249 -6.587 1.00 0.00 C ATOM 1461 CG GLN A 99 17.655 2.496 -6.532 1.00 0.00 C ATOM 1462 CD GLN A 99 18.854 3.423 -6.491 1.00 0.00 C ATOM 1463 OE1 GLN A 99 19.459 3.628 -5.438 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.205 3.988 -7.640 1.00 0.00 N ATOM 0 H GLN A 99 17.722 5.012 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 99 14.890 4.167 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.546 2.561 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.398 4.020 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.666 1.854 -5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.734 1.844 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.675 3.790 -8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.005 4.620 -7.674 1.00 0.00 H new ATOM 1473 N LEU A 100 15.186 2.043 -3.896 1.00 0.00 N ATOM 1474 CA LEU A 100 15.269 1.049 -2.832 1.00 0.00 C ATOM 1475 C LEU A 100 15.025 -0.354 -3.377 1.00 0.00 C ATOM 1476 O LEU A 100 13.992 -0.623 -3.991 1.00 0.00 O ATOM 1477 CB LEU A 100 14.255 1.365 -1.731 1.00 0.00 C ATOM 1478 CG LEU A 100 14.363 0.525 -0.458 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.316 1.176 0.532 1.00 0.00 C ATOM 1480 CD2 LEU A 100 12.990 0.330 0.170 1.00 0.00 C ATOM 0 H LEU A 100 14.326 2.003 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 100 16.274 1.086 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.359 2.415 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.253 1.240 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 100 14.762 -0.454 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.380 0.564 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.305 1.264 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.947 2.168 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.086 -0.270 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.564 1.301 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.336 -0.181 -0.537 1.00 0.00 H new ATOM 1492 N LYS A 101 15.982 -1.247 -3.147 1.00 0.00 N ATOM 1493 CA LYS A 101 15.870 -2.625 -3.611 1.00 0.00 C ATOM 1494 C LYS A 101 15.541 -3.564 -2.455 1.00 0.00 C ATOM 1495 O LYS A 101 16.132 -3.470 -1.379 1.00 0.00 O ATOM 1496 CB LYS A 101 17.172 -3.065 -4.285 1.00 0.00 C ATOM 1497 CG LYS A 101 17.026 -4.318 -5.131 1.00 0.00 C ATOM 1498 CD LYS A 101 18.141 -4.430 -6.158 1.00 0.00 C ATOM 1499 CE LYS A 101 18.020 -5.707 -6.974 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.540 -6.890 -6.233 1.00 0.00 N ATOM 0 H LYS A 101 16.844 -1.041 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 101 15.058 -2.673 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.538 -2.253 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.927 -3.240 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 101 17.034 -5.197 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.062 -4.305 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.112 -3.567 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.106 -4.410 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.975 -5.873 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.569 -5.594 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.440 -7.741 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.544 -6.743 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.000 -7.013 -5.353 1.00 0.00 H new ATOM 1514 N LEU A 102 14.596 -4.469 -2.685 1.00 0.00 N ATOM 1515 CA LEU A 102 14.190 -5.427 -1.662 1.00 0.00 C ATOM 1516 C LEU A 102 14.240 -6.853 -2.201 1.00 0.00 C ATOM 1517 O LEU A 102 13.760 -7.131 -3.301 1.00 0.00 O ATOM 1518 CB LEU A 102 12.778 -5.106 -1.168 1.00 0.00 C ATOM 1519 CG LEU A 102 12.563 -3.694 -0.622 1.00 0.00 C ATOM 1520 CD1 LEU A 102 11.083 -3.431 -0.392 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.349 -3.496 0.667 1.00 0.00 C ATOM 0 H LEU A 102 14.097 -4.560 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 102 14.887 -5.349 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.082 -5.266 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.517 -5.820 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 102 12.927 -2.979 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.949 -2.422 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.545 -3.531 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.693 -4.151 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.185 -2.486 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.015 -4.218 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.411 -3.642 0.471 1.00 0.00 H new ATOM 1533 N THR A 103 14.824 -7.756 -1.419 1.00 0.00 N ATOM 1534 CA THR A 103 14.936 -9.153 -1.816 1.00 0.00 C ATOM 1535 C THR A 103 14.638 -10.084 -0.646 1.00 0.00 C ATOM 1536 O THR A 103 15.114 -9.868 0.469 1.00 0.00 O ATOM 1537 CB THR A 103 16.340 -9.470 -2.365 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.684 -8.541 -3.398 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.400 -10.889 -2.911 1.00 0.00 C ATOM 0 H THR A 103 15.227 -7.544 -0.506 1.00 0.00 H new ATOM 0 HA THR A 103 14.200 -9.317 -2.603 1.00 0.00 H new ATOM 0 HB THR A 103 17.054 -9.382 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.578 -8.749 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.401 -11.090 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.167 -11.596 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.675 -11.000 -3.717 1.00 0.00 H new ATOM 1547 N VAL A 104 13.847 -11.120 -0.906 1.00 0.00 N ATOM 1548 CA VAL A 104 13.487 -12.085 0.126 1.00 0.00 C ATOM 1549 C VAL A 104 14.673 -12.973 0.486 1.00 0.00 C ATOM 1550 O VAL A 104 15.295 -13.580 -0.386 1.00 0.00 O ATOM 1551 CB VAL A 104 12.312 -12.973 -0.322 1.00 0.00 C ATOM 1552 CG1 VAL A 104 11.978 -13.999 0.751 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.096 -12.121 -0.653 1.00 0.00 C ATOM 0 H VAL A 104 13.443 -11.313 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 104 13.186 -11.513 1.004 1.00 0.00 H new ATOM 0 HB VAL A 104 12.608 -13.509 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.145 -14.617 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.848 -14.630 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.702 -13.486 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.275 -12.765 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.796 -11.556 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.344 -11.430 -1.459 1.00 0.00 H new ATOM 1563 N VAL A 105 14.981 -13.044 1.777 1.00 0.00 N ATOM 1564 CA VAL A 105 16.092 -13.859 2.254 1.00 0.00 C ATOM 1565 C VAL A 105 15.686 -15.324 2.376 1.00 0.00 C ATOM 1566 O VAL A 105 14.539 -15.636 2.694 1.00 0.00 O ATOM 1567 CB VAL A 105 16.605 -13.365 3.619 1.00 0.00 C ATOM 1568 CG1 VAL A 105 17.798 -14.193 4.073 1.00 0.00 C ATOM 1569 CG2 VAL A 105 16.965 -11.889 3.550 1.00 0.00 C ATOM 0 H VAL A 105 14.477 -12.547 2.511 1.00 0.00 H new ATOM 0 HA VAL A 105 16.891 -13.766 1.519 1.00 0.00 H new ATOM 0 HB VAL A 105 15.808 -13.487 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.147 -13.829 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.502 -15.238 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 105 18.601 -14.106 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 105 17.326 -11.557 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.745 -11.739 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 105 16.083 -11.312 3.274 1.00 0.00 H new ATOM 1659 N ARG A 112 8.310 -17.535 2.310 1.00 0.00 N ATOM 1660 CA ARG A 112 8.163 -17.018 0.955 1.00 0.00 C ATOM 1661 C ARG A 112 6.728 -16.568 0.697 1.00 0.00 C ATOM 1662 O ARG A 112 6.494 -15.555 0.039 1.00 0.00 O ATOM 1663 CB ARG A 112 8.566 -18.083 -0.067 1.00 0.00 C ATOM 1664 CG ARG A 112 10.040 -18.047 -0.436 1.00 0.00 C ATOM 1665 CD ARG A 112 10.362 -16.859 -1.330 1.00 0.00 C ATOM 1666 NE ARG A 112 11.675 -16.985 -1.956 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.915 -17.753 -3.013 1.00 0.00 C ATOM 1668 NH1 ARG A 112 10.934 -18.458 -3.560 1.00 0.00 N ATOM 1669 NH2 ARG A 112 13.137 -17.815 -3.526 1.00 0.00 N ATOM 0 HA ARG A 112 8.821 -16.155 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 112 8.324 -19.068 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 112 7.971 -17.951 -0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.642 -17.995 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.311 -18.971 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.599 -16.770 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.328 -15.942 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 112 12.451 -16.454 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.993 -18.411 -3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 112 11.120 -19.047 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.893 -17.273 -3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.320 -18.405 -4.338 1.00 0.00 H new ATOM 1683 N ARG A 113 5.772 -17.329 1.220 1.00 0.00 N ATOM 1684 CA ARG A 113 4.360 -17.010 1.045 1.00 0.00 C ATOM 1685 C ARG A 113 4.018 -15.679 1.709 1.00 0.00 C ATOM 1686 O ARG A 113 3.142 -14.951 1.244 1.00 0.00 O ATOM 1687 CB ARG A 113 3.488 -18.122 1.629 1.00 0.00 C ATOM 1688 CG ARG A 113 3.765 -19.491 1.030 1.00 0.00 C ATOM 1689 CD ARG A 113 3.231 -20.606 1.916 1.00 0.00 C ATOM 1690 NE ARG A 113 2.842 -21.782 1.141 1.00 0.00 N ATOM 1691 CZ ARG A 113 1.864 -21.780 0.243 1.00 0.00 C ATOM 1692 NH1 ARG A 113 1.180 -20.669 0.006 1.00 0.00 N ATOM 1693 NH2 ARG A 113 1.570 -22.890 -0.422 1.00 0.00 N ATOM 0 H ARG A 113 5.950 -18.171 1.768 1.00 0.00 H new ATOM 0 HA ARG A 113 4.162 -16.926 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.646 -18.168 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.439 -17.871 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.306 -19.557 0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.839 -19.618 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 113 3.992 -20.887 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.371 -20.242 2.479 1.00 0.00 H new ATOM 0 HE ARG A 113 3.350 -22.652 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.405 -19.814 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.429 -20.670 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.095 -23.746 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.818 -22.887 -1.112 1.00 0.00 H new ATOM 1707 N GLN A 114 4.714 -15.370 2.798 1.00 0.00 N ATOM 1708 CA GLN A 114 4.482 -14.128 3.526 1.00 0.00 C ATOM 1709 C GLN A 114 5.128 -12.948 2.807 1.00 0.00 C ATOM 1710 O GLN A 114 4.437 -12.061 2.306 1.00 0.00 O ATOM 1711 CB GLN A 114 5.032 -14.236 4.949 1.00 0.00 C ATOM 1712 CG GLN A 114 4.853 -12.968 5.768 1.00 0.00 C ATOM 1713 CD GLN A 114 3.537 -12.939 6.520 1.00 0.00 C ATOM 1714 OE1 GLN A 114 2.636 -13.733 6.248 1.00 0.00 O ATOM 1715 NE2 GLN A 114 3.419 -12.021 7.472 1.00 0.00 N ATOM 0 H GLN A 114 5.443 -15.962 3.196 1.00 0.00 H new ATOM 0 HA GLN A 114 3.406 -13.958 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.536 -15.061 5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.093 -14.482 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.675 -12.880 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.909 -12.103 5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.191 -11.383 7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.556 -11.954 8.011 1.00 0.00 H new ATOM 1724 N ALA A 115 6.456 -12.943 2.761 1.00 0.00 N ATOM 1725 CA ALA A 115 7.194 -11.872 2.103 1.00 0.00 C ATOM 1726 C ALA A 115 6.614 -11.573 0.724 1.00 0.00 C ATOM 1727 O ALA A 115 6.189 -10.452 0.449 1.00 0.00 O ATOM 1728 CB ALA A 115 8.666 -12.238 1.991 1.00 0.00 C ATOM 0 H ALA A 115 7.043 -13.669 3.172 1.00 0.00 H new ATOM 0 HA ALA A 115 7.100 -10.972 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.205 -11.429 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.079 -12.395 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.770 -13.153 1.407 1.00 0.00 H new ATOM 1734 N VAL A 116 6.601 -12.584 -0.139 1.00 0.00 N ATOM 1735 CA VAL A 116 6.074 -12.429 -1.489 1.00 0.00 C ATOM 1736 C VAL A 116 4.730 -11.708 -1.475 1.00 0.00 C ATOM 1737 O VAL A 116 4.486 -10.814 -2.284 1.00 0.00 O ATOM 1738 CB VAL A 116 5.905 -13.793 -2.186 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.330 -13.611 -3.582 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.233 -14.531 -2.239 1.00 0.00 C ATOM 0 H VAL A 116 6.949 -13.519 0.073 1.00 0.00 H new ATOM 0 HA VAL A 116 6.798 -11.832 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 116 5.204 -14.394 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.218 -14.585 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.356 -13.126 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.003 -12.992 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.096 -15.492 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.958 -13.936 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.599 -14.694 -1.225 1.00 0.00 H new ATOM 1750 N ALA A 117 3.863 -12.103 -0.549 1.00 0.00 N ATOM 1751 CA ALA A 117 2.545 -11.493 -0.427 1.00 0.00 C ATOM 1752 C ALA A 117 2.654 -9.987 -0.214 1.00 0.00 C ATOM 1753 O ALA A 117 2.063 -9.202 -0.955 1.00 0.00 O ATOM 1754 CB ALA A 117 1.770 -12.135 0.715 1.00 0.00 C ATOM 0 H ALA A 117 4.050 -12.843 0.128 1.00 0.00 H new ATOM 0 HA ALA A 117 2.006 -11.663 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.788 -11.670 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.652 -13.201 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.315 -11.995 1.649 1.00 0.00 H new ATOM 1760 N TRP A 118 3.413 -9.592 0.801 1.00 0.00 N ATOM 1761 CA TRP A 118 3.599 -8.179 1.112 1.00 0.00 C ATOM 1762 C TRP A 118 4.041 -7.404 -0.125 1.00 0.00 C ATOM 1763 O TRP A 118 3.519 -6.327 -0.414 1.00 0.00 O ATOM 1764 CB TRP A 118 4.631 -8.013 2.229 1.00 0.00 C ATOM 1765 CG TRP A 118 4.654 -6.633 2.815 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.103 -6.237 4.000 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.257 -5.469 2.241 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.328 -4.896 4.198 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.034 -4.402 3.134 1.00 0.00 C ATOM 1770 CE3 TRP A 118 5.965 -5.223 1.062 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.494 -3.112 2.881 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.420 -3.943 0.812 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.184 -2.900 1.718 1.00 0.00 C ATOM 0 H TRP A 118 3.910 -10.230 1.423 1.00 0.00 H new ATOM 0 HA TRP A 118 2.643 -7.777 1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.419 -8.733 3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.620 -8.251 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.569 -6.883 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.019 -4.356 5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.153 -6.020 0.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.313 -2.307 3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 6.967 -3.742 -0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.554 -1.910 1.494 1.00 0.00 H new ATOM 1784 N LEU A 119 5.006 -7.957 -0.851 1.00 0.00 N ATOM 1785 CA LEU A 119 5.518 -7.317 -2.058 1.00 0.00 C ATOM 1786 C LEU A 119 4.376 -6.894 -2.976 1.00 0.00 C ATOM 1787 O LEU A 119 4.087 -5.706 -3.118 1.00 0.00 O ATOM 1788 CB LEU A 119 6.461 -8.265 -2.801 1.00 0.00 C ATOM 1789 CG LEU A 119 7.706 -8.711 -2.034 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.348 -9.913 -2.710 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.702 -7.565 -1.922 1.00 0.00 C ATOM 0 H LEU A 119 5.450 -8.847 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 119 6.070 -6.425 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.898 -9.153 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.781 -7.778 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 119 7.404 -9.004 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.233 -10.216 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.636 -10.738 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.636 -9.648 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.582 -7.900 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.998 -7.241 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.240 -6.732 -1.393 1.00 0.00 H new ATOM 1803 N VAL A 120 3.728 -7.875 -3.597 1.00 0.00 N ATOM 1804 CA VAL A 120 2.615 -7.605 -4.500 1.00 0.00 C ATOM 1805 C VAL A 120 1.523 -6.803 -3.801 1.00 0.00 C ATOM 1806 O VAL A 120 0.896 -5.933 -4.403 1.00 0.00 O ATOM 1807 CB VAL A 120 2.008 -8.909 -5.048 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.539 -9.801 -3.908 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.864 -8.604 -6.002 1.00 0.00 C ATOM 0 H VAL A 120 3.955 -8.864 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 120 3.015 -7.023 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 120 2.780 -9.444 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.113 -10.718 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.385 -10.048 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.782 -9.277 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.447 -9.537 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.089 -8.047 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.235 -8.008 -6.836 1.00 0.00 H new ATOM 1819 N ALA A 121 1.302 -7.103 -2.525 1.00 0.00 N ATOM 1820 CA ALA A 121 0.287 -6.409 -1.742 1.00 0.00 C ATOM 1821 C ALA A 121 0.513 -4.901 -1.765 1.00 0.00 C ATOM 1822 O ALA A 121 -0.428 -4.121 -1.621 1.00 0.00 O ATOM 1823 CB ALA A 121 0.282 -6.922 -0.310 1.00 0.00 C ATOM 0 H ALA A 121 1.812 -7.822 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.685 -6.612 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.481 -6.395 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.064 -7.990 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.259 -6.749 0.142 1.00 0.00 H new ATOM 1829 N MET A 122 1.766 -4.497 -1.945 1.00 0.00 N ATOM 1830 CA MET A 122 2.114 -3.082 -1.987 1.00 0.00 C ATOM 1831 C MET A 122 1.645 -2.445 -3.290 1.00 0.00 C ATOM 1832 O MET A 122 0.783 -1.566 -3.288 1.00 0.00 O ATOM 1833 CB MET A 122 3.626 -2.902 -1.832 1.00 0.00 C ATOM 1834 CG MET A 122 4.052 -1.452 -1.673 1.00 0.00 C ATOM 1835 SD MET A 122 3.905 -0.867 0.026 1.00 0.00 S ATOM 1836 CE MET A 122 3.208 0.762 -0.236 1.00 0.00 C ATOM 0 H MET A 122 2.557 -5.130 -2.064 1.00 0.00 H new ATOM 0 HA MET A 122 1.609 -2.585 -1.159 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.964 -3.469 -0.964 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.125 -3.325 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.085 -1.343 -2.003 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.442 -0.825 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.075 1.260 0.725 1.00 0.00 H new ATOM 0 HE2 MET A 122 3.882 1.350 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.243 0.669 -0.733 1.00 0.00 H new ATOM 1846 N HIS A 123 2.219 -2.892 -4.403 1.00 0.00 N ATOM 1847 CA HIS A 123 1.858 -2.365 -5.714 1.00 0.00 C ATOM 1848 C HIS A 123 0.354 -2.471 -5.948 1.00 0.00 C ATOM 1849 O HIS A 123 -0.270 -1.548 -6.472 1.00 0.00 O ATOM 1850 CB HIS A 123 2.611 -3.116 -6.814 1.00 0.00 C ATOM 1851 CG HIS A 123 2.204 -2.717 -8.198 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.316 -3.445 -8.962 1.00 0.00 N ATOM 1853 CD2 HIS A 123 2.568 -1.656 -8.957 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.152 -2.850 -10.130 1.00 0.00 C ATOM 1855 NE2 HIS A 123 1.901 -1.762 -10.152 1.00 0.00 N ATOM 0 H HIS A 123 2.936 -3.618 -4.423 1.00 0.00 H new ATOM 0 HA HIS A 123 2.139 -1.312 -5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.680 -2.942 -6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.446 -4.186 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.255 -0.872 -8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.514 -3.194 -10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.972 -1.107 -10.931 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.222 -3.602 -5.556 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.653 -3.830 -5.722 1.00 0.00 C ATOM 1865 C LYS A 124 -2.461 -2.836 -4.894 1.00 0.00 C ATOM 1866 O LYS A 124 -3.478 -2.314 -5.351 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.013 -5.261 -5.316 1.00 0.00 C ATOM 1868 CG LYS A 124 -1.824 -6.275 -6.431 1.00 0.00 C ATOM 1869 CD LYS A 124 -2.832 -6.069 -7.549 1.00 0.00 C ATOM 1870 CE LYS A 124 -2.799 -7.216 -8.548 1.00 0.00 C ATOM 1871 NZ LYS A 124 -3.837 -7.061 -9.604 1.00 0.00 N ATOM 0 H LYS A 124 0.280 -4.376 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.900 -3.685 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.400 -5.553 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.051 -5.286 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -0.814 -6.193 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -1.926 -7.283 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.833 -5.982 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.620 -5.131 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -1.814 -7.266 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -2.952 -8.159 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -3.782 -7.862 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -4.779 -7.039 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.676 -6.173 -10.122 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.002 -2.579 -3.673 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.681 -1.645 -2.783 1.00 0.00 C ATOM 1887 C ALA A 125 -2.558 -0.213 -3.292 1.00 0.00 C ATOM 1888 O ALA A 125 -3.541 0.526 -3.337 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.118 -1.756 -1.374 1.00 0.00 C ATOM 0 H ALA A 125 -1.163 -3.004 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.739 -1.905 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.634 -1.053 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.263 -2.771 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.053 -1.524 -1.388 1.00 0.00 H new ATOM 1895 N ALA A 126 -1.345 0.172 -3.675 1.00 0.00 N ATOM 1896 CA ALA A 126 -1.095 1.516 -4.183 1.00 0.00 C ATOM 1897 C ALA A 126 -2.070 1.871 -5.301 1.00 0.00 C ATOM 1898 O ALA A 126 -2.463 3.028 -5.452 1.00 0.00 O ATOM 1899 CB ALA A 126 0.340 1.636 -4.674 1.00 0.00 C ATOM 0 H ALA A 126 -0.520 -0.427 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.248 2.221 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.513 2.644 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.025 1.434 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.512 0.916 -5.474 1.00 0.00 H new ATOM 1905 N LYS A 127 -2.457 0.868 -6.082 1.00 0.00 N ATOM 1906 CA LYS A 127 -3.387 1.073 -7.186 1.00 0.00 C ATOM 1907 C LYS A 127 -4.661 1.761 -6.704 1.00 0.00 C ATOM 1908 O LYS A 127 -5.403 2.342 -7.497 1.00 0.00 O ATOM 1909 CB LYS A 127 -3.735 -0.264 -7.843 1.00 0.00 C ATOM 1910 CG LYS A 127 -2.661 -0.775 -8.789 1.00 0.00 C ATOM 1911 CD LYS A 127 -3.212 -1.817 -9.747 1.00 0.00 C ATOM 1912 CE LYS A 127 -3.828 -1.171 -10.979 1.00 0.00 C ATOM 1913 NZ LYS A 127 -2.831 -0.992 -12.069 1.00 0.00 N ATOM 0 H LYS A 127 -2.141 -0.095 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.903 1.716 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.906 -1.008 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.670 -0.157 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -2.247 0.059 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.842 -1.206 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.412 -2.493 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -3.963 -2.420 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -4.652 -1.787 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -4.249 -0.202 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.290 -0.549 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.057 -0.383 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.448 -1.919 -12.345 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.908 1.693 -5.401 1.00 0.00 N ATOM 1928 CA LEU A 128 -6.091 2.310 -4.813 1.00 0.00 C ATOM 1929 C LEU A 128 -5.852 3.791 -4.536 1.00 0.00 C ATOM 1930 O LEU A 128 -6.641 4.645 -4.941 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.475 1.593 -3.518 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.018 0.172 -3.673 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -6.742 -0.646 -2.421 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.509 0.201 -3.975 1.00 0.00 C ATOM 0 H LEU A 128 -4.304 1.216 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.910 2.220 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.597 1.557 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.225 2.193 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.506 -0.302 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.136 -1.654 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.667 -0.696 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.225 -0.175 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.878 -0.819 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.036 0.694 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.682 0.749 -4.901 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.757 4.088 -3.844 1.00 0.00 N ATOM 1947 CA LEU A 129 -4.412 5.467 -3.515 1.00 0.00 C ATOM 1948 C LEU A 129 -3.961 6.228 -4.758 1.00 0.00 C ATOM 1949 O LEU A 129 -4.018 7.457 -4.800 1.00 0.00 O ATOM 1950 CB LEU A 129 -3.308 5.497 -2.456 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.337 4.315 -2.464 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.964 4.749 -1.975 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.876 3.178 -1.609 1.00 0.00 C ATOM 0 H LEU A 129 -4.094 3.393 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.303 5.954 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.733 6.414 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -3.776 5.550 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.238 3.957 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.287 3.895 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.575 5.530 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.045 5.133 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.173 2.345 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.005 3.524 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.837 2.849 -2.004 1.00 0.00 H new ATOM 1965 N TYR A 130 -3.517 5.489 -5.768 1.00 0.00 N ATOM 1966 CA TYR A 130 -3.057 6.094 -7.012 1.00 0.00 C ATOM 1967 C TYR A 130 -4.222 6.705 -7.785 1.00 0.00 C ATOM 1968 O TYR A 130 -4.271 7.916 -7.999 1.00 0.00 O ATOM 1969 CB TYR A 130 -2.347 5.052 -7.879 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.944 4.733 -7.414 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.610 4.781 -6.066 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.048 4.385 -8.323 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.671 4.490 -5.637 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.331 4.092 -7.903 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.638 4.146 -6.559 1.00 0.00 C ATOM 1976 OH TYR A 130 2.915 3.856 -6.137 1.00 0.00 O ATOM 0 H TYR A 130 -3.466 4.470 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.354 6.889 -6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -2.936 4.135 -7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -2.307 5.413 -8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -1.364 5.050 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.188 4.343 -9.376 1.00 0.00 H new ATOM 0 HE1 TYR A 130 0.914 4.532 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.090 3.822 -8.623 1.00 0.00 H new ATOM 0 HH TYR A 130 3.472 4.660 -6.203 1.00 0.00 H new