USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 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 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Set 2.1: A 42 SER OG : rot 180:sc=-0.00316 USER MOD Set 2.2: A 43 ASN : amide:sc= 0.467 K(o=0.46,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= -0.0179 (180deg=-0.237) USER MOD Single : A 14 GLN : amide:sc= -0.615 K(o=-0.61,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0165) USER MOD Single : A 20 SER OG : rot 180:sc= 0 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= -2.04! C(o=-2!,f=-5.7!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0792 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 -174:sc= -0.588 (180deg=-0.677) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -3.45! USER MOD Single : A 44 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.4) USER MOD Single : A 45 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.086) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 23:sc= 0.134 USER MOD Single : A 55 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.017) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.36) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -45:sc= 0.96 USER MOD Single : A 85 MET CE :methyl -154:sc= -0.0892 (180deg=-0.89) 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= -0.47 K(o=-0.47,f=-1) 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= -0.538 K(o=-0.54,f=-1.1) USER MOD Single : A 122 MET CE :methyl -153:sc= -0.934 (180deg=-2.58!) USER MOD Single : A 123 HIS : no HE2:sc= -2.05! C(o=-2.1!,f=-6.8!) USER MOD Single : A 124 LYS NZ :NH3+ -162:sc= -0.0202 (180deg=-0.191) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot -100:sc= -0.19 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.237 -9.218 3.004 1.00 0.00 N ATOM 145 CA LYS A 13 -6.111 -10.144 3.007 1.00 0.00 C ATOM 146 C LYS A 13 -4.813 -9.424 2.655 1.00 0.00 C ATOM 147 O LYS A 13 -3.729 -9.852 3.051 1.00 0.00 O ATOM 148 CB LYS A 13 -6.359 -11.283 2.015 1.00 0.00 C ATOM 149 CG LYS A 13 -7.329 -12.335 2.527 1.00 0.00 C ATOM 150 CD LYS A 13 -7.226 -13.623 1.728 1.00 0.00 C ATOM 151 CE LYS A 13 -6.125 -14.525 2.263 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.479 -15.106 3.588 1.00 0.00 N ATOM 0 HA LYS A 13 -6.016 -10.558 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.746 -10.866 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.409 -11.761 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.124 -12.540 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.347 -11.951 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.179 -14.151 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.029 -13.389 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.937 -15.330 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.200 -13.955 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.708 -14.927 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.354 -14.666 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.622 -16.131 3.490 1.00 0.00 H new ATOM 166 N GLN A 14 -4.932 -8.328 1.912 1.00 0.00 N ATOM 167 CA GLN A 14 -3.768 -7.549 1.509 1.00 0.00 C ATOM 168 C GLN A 14 -3.326 -6.612 2.629 1.00 0.00 C ATOM 169 O GLN A 14 -2.131 -6.461 2.890 1.00 0.00 O ATOM 170 CB GLN A 14 -4.079 -6.743 0.247 1.00 0.00 C ATOM 171 CG GLN A 14 -4.600 -7.590 -0.903 1.00 0.00 C ATOM 172 CD GLN A 14 -3.492 -8.307 -1.648 1.00 0.00 C ATOM 173 OE1 GLN A 14 -2.939 -7.783 -2.615 1.00 0.00 O ATOM 174 NE2 GLN A 14 -3.161 -9.513 -1.202 1.00 0.00 N ATOM 0 H GLN A 14 -5.823 -7.960 1.577 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.954 -8.242 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.817 -5.978 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.176 -6.225 -0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.307 -8.324 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.148 -6.954 -1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.645 -9.910 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.422 -10.043 -1.665 1.00 0.00 H new ATOM 183 N LEU A 15 -4.295 -5.986 3.287 1.00 0.00 N ATOM 184 CA LEU A 15 -4.006 -5.063 4.379 1.00 0.00 C ATOM 185 C LEU A 15 -3.396 -5.799 5.567 1.00 0.00 C ATOM 186 O LEU A 15 -2.410 -5.350 6.151 1.00 0.00 O ATOM 187 CB LEU A 15 -5.282 -4.339 4.812 1.00 0.00 C ATOM 188 CG LEU A 15 -6.326 -5.193 5.532 1.00 0.00 C ATOM 189 CD1 LEU A 15 -5.920 -5.426 6.979 1.00 0.00 C ATOM 190 CD2 LEU A 15 -7.696 -4.534 5.460 1.00 0.00 C ATOM 0 H LEU A 15 -5.288 -6.101 3.084 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.284 -4.329 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.003 -3.513 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.746 -3.902 3.928 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.383 -6.160 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.675 -6.036 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.960 -5.942 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.833 -4.468 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.426 -5.156 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.653 -3.553 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.991 -4.420 4.417 1.00 0.00 H new ATOM 202 N LYS A 16 -3.989 -6.935 5.920 1.00 0.00 N ATOM 203 CA LYS A 16 -3.504 -7.737 7.036 1.00 0.00 C ATOM 204 C LYS A 16 -2.071 -8.200 6.792 1.00 0.00 C ATOM 205 O LYS A 16 -1.228 -8.145 7.688 1.00 0.00 O ATOM 206 CB LYS A 16 -4.412 -8.950 7.253 1.00 0.00 C ATOM 207 CG LYS A 16 -4.045 -10.146 6.393 1.00 0.00 C ATOM 208 CD LYS A 16 -4.975 -11.321 6.646 1.00 0.00 C ATOM 209 CE LYS A 16 -4.569 -12.539 5.831 1.00 0.00 C ATOM 210 NZ LYS A 16 -3.338 -13.182 6.369 1.00 0.00 N ATOM 0 H LYS A 16 -4.807 -7.321 5.448 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.519 -7.114 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.370 -9.241 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.443 -8.664 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.089 -9.866 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.017 -10.443 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.965 -11.572 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.997 -11.038 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.385 -13.262 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.401 -12.243 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.142 -14.055 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.534 -12.530 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.477 -13.411 7.374 1.00 0.00 H new ATOM 224 N VAL A 17 -1.801 -8.655 5.572 1.00 0.00 N ATOM 225 CA VAL A 17 -0.469 -9.125 5.209 1.00 0.00 C ATOM 226 C VAL A 17 0.546 -7.988 5.256 1.00 0.00 C ATOM 227 O VAL A 17 1.663 -8.159 5.748 1.00 0.00 O ATOM 228 CB VAL A 17 -0.459 -9.749 3.801 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.961 -10.102 3.383 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.357 -10.976 3.756 1.00 0.00 C ATOM 0 H VAL A 17 -2.487 -8.708 4.819 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.192 -9.886 5.938 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.848 -9.016 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.948 -10.542 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.573 -9.200 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.381 -10.818 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.338 -11.404 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.000 -11.715 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.378 -10.689 4.009 1.00 0.00 H new ATOM 240 N LEU A 18 0.152 -6.828 4.743 1.00 0.00 N ATOM 241 CA LEU A 18 1.028 -5.662 4.726 1.00 0.00 C ATOM 242 C LEU A 18 1.364 -5.214 6.145 1.00 0.00 C ATOM 243 O LEU A 18 2.523 -5.249 6.560 1.00 0.00 O ATOM 244 CB LEU A 18 0.367 -4.514 3.961 1.00 0.00 C ATOM 245 CG LEU A 18 0.282 -4.682 2.443 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.631 -3.626 1.840 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.669 -4.608 1.820 1.00 0.00 C ATOM 0 H LEU A 18 -0.769 -6.670 4.333 1.00 0.00 H new ATOM 0 HA LEU A 18 1.954 -5.941 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.643 -4.379 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.916 -3.597 4.175 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.140 -5.664 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.679 -3.761 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.631 -3.725 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.238 -2.634 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.590 -4.729 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.117 -3.640 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.294 -5.401 2.229 1.00 0.00 H new ATOM 259 N LEU A 19 0.344 -4.795 6.885 1.00 0.00 N ATOM 260 CA LEU A 19 0.531 -4.342 8.260 1.00 0.00 C ATOM 261 C LEU A 19 1.415 -5.312 9.037 1.00 0.00 C ATOM 262 O LEU A 19 2.360 -4.902 9.710 1.00 0.00 O ATOM 263 CB LEU A 19 -0.823 -4.197 8.958 1.00 0.00 C ATOM 264 CG LEU A 19 -1.781 -3.168 8.356 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.182 -3.350 8.920 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.279 -1.755 8.615 1.00 0.00 C ATOM 0 H LEU A 19 -0.621 -4.759 6.557 1.00 0.00 H new ATOM 0 HA LEU A 19 1.025 -3.371 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.317 -5.169 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.646 -3.933 10.000 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.822 -3.325 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.850 -2.609 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.543 -4.351 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.158 -3.221 10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.973 -1.037 8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.208 -1.585 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.296 -1.630 8.162 1.00 0.00 H new ATOM 278 N SER A 20 1.102 -6.600 8.937 1.00 0.00 N ATOM 279 CA SER A 20 1.867 -7.629 9.632 1.00 0.00 C ATOM 280 C SER A 20 3.364 -7.349 9.538 1.00 0.00 C ATOM 281 O SER A 20 4.113 -7.595 10.482 1.00 0.00 O ATOM 282 CB SER A 20 1.557 -9.008 9.048 1.00 0.00 C ATOM 283 OG SER A 20 2.132 -10.037 9.834 1.00 0.00 O ATOM 0 H SER A 20 0.324 -6.956 8.382 1.00 0.00 H new ATOM 0 HA SER A 20 1.577 -7.615 10.683 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.477 -9.149 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.939 -9.069 8.029 1.00 0.00 H new ATOM 0 HG SER A 20 1.918 -10.908 9.440 1.00 0.00 H new ATOM 289 N GLY A 21 3.792 -6.831 8.391 1.00 0.00 N ATOM 290 CA GLY A 21 5.197 -6.526 8.193 1.00 0.00 C ATOM 291 C GLY A 21 6.000 -7.741 7.772 1.00 0.00 C ATOM 292 O GLY A 21 5.848 -8.822 8.340 1.00 0.00 O ATOM 0 H GLY A 21 3.191 -6.617 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.294 -5.750 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.612 -6.122 9.117 1.00 0.00 H new ATOM 296 N ALA A 22 6.858 -7.564 6.772 1.00 0.00 N ATOM 297 CA ALA A 22 7.688 -8.654 6.276 1.00 0.00 C ATOM 298 C ALA A 22 9.156 -8.246 6.223 1.00 0.00 C ATOM 299 O ALA A 22 9.481 -7.059 6.165 1.00 0.00 O ATOM 300 CB ALA A 22 7.212 -9.096 4.900 1.00 0.00 C ATOM 0 H ALA A 22 6.996 -6.676 6.290 1.00 0.00 H new ATOM 0 HA ALA A 22 7.595 -9.492 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.841 -9.911 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.179 -9.437 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.275 -8.257 4.207 1.00 0.00 H new ATOM 306 N THR A 23 10.043 -9.236 6.245 1.00 0.00 N ATOM 307 CA THR A 23 11.477 -8.980 6.202 1.00 0.00 C ATOM 308 C THR A 23 11.982 -8.924 4.765 1.00 0.00 C ATOM 309 O THR A 23 11.530 -9.682 3.907 1.00 0.00 O ATOM 310 CB THR A 23 12.264 -10.060 6.969 1.00 0.00 C ATOM 311 OG1 THR A 23 11.721 -10.220 8.284 1.00 0.00 O ATOM 312 CG2 THR A 23 13.736 -9.691 7.064 1.00 0.00 C ATOM 0 H THR A 23 9.793 -10.224 6.292 1.00 0.00 H new ATOM 0 HA THR A 23 11.640 -8.014 6.680 1.00 0.00 H new ATOM 0 HB THR A 23 12.176 -10.999 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.225 -10.909 8.765 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.271 -10.468 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.153 -9.598 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.840 -8.742 7.589 1.00 0.00 H new ATOM 320 N PHE A 24 12.923 -8.021 4.509 1.00 0.00 N ATOM 321 CA PHE A 24 13.491 -7.866 3.174 1.00 0.00 C ATOM 322 C PHE A 24 14.899 -7.284 3.247 1.00 0.00 C ATOM 323 O PHE A 24 15.294 -6.707 4.261 1.00 0.00 O ATOM 324 CB PHE A 24 12.597 -6.965 2.319 1.00 0.00 C ATOM 325 CG PHE A 24 11.152 -7.374 2.324 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.703 -8.386 1.492 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.244 -6.747 3.162 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.373 -8.764 1.494 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.913 -7.121 3.169 1.00 0.00 C ATOM 330 CZ PHE A 24 8.478 -8.132 2.334 1.00 0.00 C ATOM 0 H PHE A 24 13.308 -7.386 5.208 1.00 0.00 H new ATOM 0 HA PHE A 24 13.548 -8.852 2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.677 -5.940 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.964 -6.971 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.399 -8.885 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.580 -5.957 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.035 -9.553 0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.215 -6.624 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.439 -8.428 2.338 1.00 0.00 H new ATOM 340 N LEU A 25 15.653 -7.440 2.164 1.00 0.00 N ATOM 341 CA LEU A 25 17.019 -6.931 2.103 1.00 0.00 C ATOM 342 C LEU A 25 17.066 -5.581 1.394 1.00 0.00 C ATOM 343 O LEU A 25 16.692 -5.467 0.227 1.00 0.00 O ATOM 344 CB LEU A 25 17.925 -7.930 1.381 1.00 0.00 C ATOM 345 CG LEU A 25 18.568 -9.006 2.257 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.321 -10.011 1.400 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.499 -8.373 3.282 1.00 0.00 C ATOM 0 H LEU A 25 15.342 -7.915 1.317 1.00 0.00 H new ATOM 0 HA LEU A 25 17.376 -6.798 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.342 -8.423 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.718 -7.375 0.881 1.00 0.00 H new ATOM 0 HG LEU A 25 17.778 -9.534 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.772 -10.769 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.629 -10.487 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.102 -9.498 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.948 -9.153 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.285 -7.820 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.932 -7.692 3.917 1.00 0.00 H new ATOM 359 N VAL A 26 17.529 -4.559 2.108 1.00 0.00 N ATOM 360 CA VAL A 26 17.629 -3.217 1.547 1.00 0.00 C ATOM 361 C VAL A 26 19.075 -2.866 1.215 1.00 0.00 C ATOM 362 O VAL A 26 19.946 -2.887 2.086 1.00 0.00 O ATOM 363 CB VAL A 26 17.064 -2.161 2.515 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.184 -0.768 1.915 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.617 -2.477 2.863 1.00 0.00 C ATOM 0 H VAL A 26 17.841 -4.635 3.076 1.00 0.00 H new ATOM 0 HA VAL A 26 17.038 -3.212 0.631 1.00 0.00 H new ATOM 0 HB VAL A 26 17.649 -2.187 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.780 -0.035 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.233 -0.544 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.625 -0.725 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.234 -1.721 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.016 -2.480 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.563 -3.457 3.337 1.00 0.00 H new ATOM 375 N THR A 27 19.324 -2.541 -0.050 1.00 0.00 N ATOM 376 CA THR A 27 20.665 -2.186 -0.497 1.00 0.00 C ATOM 377 C THR A 27 20.795 -0.681 -0.702 1.00 0.00 C ATOM 378 O THR A 27 20.128 -0.101 -1.559 1.00 0.00 O ATOM 379 CB THR A 27 21.028 -2.904 -1.810 1.00 0.00 C ATOM 380 OG1 THR A 27 20.384 -4.182 -1.864 1.00 0.00 O ATOM 381 CG2 THR A 27 22.534 -3.085 -1.929 1.00 0.00 C ATOM 0 H THR A 27 18.615 -2.516 -0.783 1.00 0.00 H new ATOM 0 HA THR A 27 21.354 -2.505 0.285 1.00 0.00 H new ATOM 0 HB THR A 27 20.684 -2.289 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.619 -4.631 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.766 -3.594 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.020 -2.109 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.896 -3.681 -1.091 1.00 0.00 H new ATOM 389 N PHE A 28 21.658 -0.053 0.089 1.00 0.00 N ATOM 390 CA PHE A 28 21.876 1.386 -0.006 1.00 0.00 C ATOM 391 C PHE A 28 23.041 1.700 -0.939 1.00 0.00 C ATOM 392 O PHE A 28 24.091 1.061 -0.876 1.00 0.00 O ATOM 393 CB PHE A 28 22.145 1.975 1.381 1.00 0.00 C ATOM 394 CG PHE A 28 21.004 1.794 2.341 1.00 0.00 C ATOM 395 CD1 PHE A 28 19.761 2.343 2.071 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.175 1.074 3.512 1.00 0.00 C ATOM 397 CE1 PHE A 28 18.710 2.178 2.954 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.128 0.906 4.398 1.00 0.00 C ATOM 399 CZ PHE A 28 18.893 1.458 4.118 1.00 0.00 C ATOM 0 H PHE A 28 22.218 -0.518 0.803 1.00 0.00 H new ATOM 0 HA PHE A 28 20.973 1.838 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.038 1.509 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.359 3.039 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.611 2.906 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.138 0.639 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.746 2.612 2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.275 0.344 5.308 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.072 1.327 4.808 1.00 0.00 H new ATOM 409 N GLY A 29 22.847 2.689 -1.806 1.00 0.00 N ATOM 410 CA GLY A 29 23.890 3.071 -2.742 1.00 0.00 C ATOM 411 C GLY A 29 25.260 3.113 -2.096 1.00 0.00 C ATOM 412 O GLY A 29 26.266 2.818 -2.740 1.00 0.00 O ATOM 0 H GLY A 29 21.987 3.233 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.905 2.366 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.658 4.051 -3.160 1.00 0.00 H new ATOM 416 N ASN A 30 25.301 3.482 -0.820 1.00 0.00 N ATOM 417 CA ASN A 30 26.559 3.564 -0.087 1.00 0.00 C ATOM 418 C ASN A 30 27.087 2.171 0.246 1.00 0.00 C ATOM 419 O ASN A 30 28.266 1.879 0.046 1.00 0.00 O ATOM 420 CB ASN A 30 26.373 4.372 1.198 1.00 0.00 C ATOM 421 CG ASN A 30 27.629 4.404 2.048 1.00 0.00 C ATOM 422 OD1 ASN A 30 28.496 3.538 1.928 1.00 0.00 O ATOM 423 ND2 ASN A 30 27.732 5.406 2.913 1.00 0.00 N ATOM 0 H ASN A 30 24.477 3.729 -0.272 1.00 0.00 H new ATOM 0 HA ASN A 30 27.288 4.067 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.083 5.392 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.556 3.944 1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 30 28.554 5.480 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 30 26.989 6.102 2.979 1.00 0.00 H new ATOM 430 N SER A 31 26.205 1.316 0.754 1.00 0.00 N ATOM 431 CA SER A 31 26.582 -0.044 1.118 1.00 0.00 C ATOM 432 C SER A 31 26.417 -0.989 -0.069 1.00 0.00 C ATOM 433 O SER A 31 25.377 -1.000 -0.727 1.00 0.00 O ATOM 434 CB SER A 31 25.736 -0.533 2.295 1.00 0.00 C ATOM 435 OG SER A 31 24.362 -0.579 1.952 1.00 0.00 O ATOM 0 H SER A 31 25.225 1.541 0.923 1.00 0.00 H new ATOM 0 HA SER A 31 27.631 -0.037 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.071 -1.524 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.879 0.129 3.149 1.00 0.00 H new ATOM 0 HG SER A 31 23.843 -0.896 2.721 1.00 0.00 H new ATOM 441 N GLU A 32 27.451 -1.782 -0.334 1.00 0.00 N ATOM 442 CA GLU A 32 27.420 -2.730 -1.442 1.00 0.00 C ATOM 443 C GLU A 32 26.648 -3.989 -1.059 1.00 0.00 C ATOM 444 O GLU A 32 26.105 -4.684 -1.918 1.00 0.00 O ATOM 445 CB GLU A 32 28.844 -3.100 -1.864 1.00 0.00 C ATOM 446 CG GLU A 32 29.663 -1.915 -2.347 1.00 0.00 C ATOM 447 CD GLU A 32 30.833 -2.331 -3.217 1.00 0.00 C ATOM 448 OE1 GLU A 32 30.712 -3.353 -3.924 1.00 0.00 O ATOM 449 OE2 GLU A 32 31.870 -1.635 -3.191 1.00 0.00 O ATOM 0 H GLU A 32 28.319 -1.787 0.202 1.00 0.00 H new ATOM 0 HA GLU A 32 26.912 -2.254 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 29.355 -3.564 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.797 -3.846 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 32 29.020 -1.238 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 32 30.035 -1.360 -1.486 1.00 0.00 H new ATOM 456 N LYS A 33 26.603 -4.278 0.237 1.00 0.00 N ATOM 457 CA LYS A 33 25.898 -5.452 0.737 1.00 0.00 C ATOM 458 C LYS A 33 24.584 -5.055 1.401 1.00 0.00 C ATOM 459 O LYS A 33 24.502 -4.065 2.129 1.00 0.00 O ATOM 460 CB LYS A 33 26.775 -6.215 1.732 1.00 0.00 C ATOM 461 CG LYS A 33 25.985 -6.953 2.798 1.00 0.00 C ATOM 462 CD LYS A 33 26.706 -8.209 3.257 1.00 0.00 C ATOM 463 CE LYS A 33 25.725 -9.289 3.688 1.00 0.00 C ATOM 464 NZ LYS A 33 26.397 -10.604 3.882 1.00 0.00 N ATOM 0 H LYS A 33 27.047 -3.714 0.961 1.00 0.00 H new ATOM 0 HA LYS A 33 25.675 -6.099 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.390 -6.931 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.455 -5.514 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.820 -6.295 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.003 -7.219 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.332 -8.586 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.369 -7.966 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.240 -8.989 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.942 -9.389 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.695 -11.313 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.839 -10.903 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.127 -10.516 4.617 1.00 0.00 H new ATOM 478 N PRO A 34 23.530 -5.845 1.149 1.00 0.00 N ATOM 479 CA PRO A 34 22.201 -5.597 1.715 1.00 0.00 C ATOM 480 C PRO A 34 22.154 -5.851 3.218 1.00 0.00 C ATOM 481 O PRO A 34 23.100 -6.387 3.795 1.00 0.00 O ATOM 482 CB PRO A 34 21.308 -6.597 0.977 1.00 0.00 C ATOM 483 CG PRO A 34 22.227 -7.694 0.566 1.00 0.00 C ATOM 484 CD PRO A 34 23.554 -7.042 0.291 1.00 0.00 C ATOM 0 HA PRO A 34 21.894 -4.558 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.512 -6.968 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.829 -6.137 0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.316 -8.444 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 34 21.852 -8.205 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.385 -7.701 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.663 -6.780 -0.761 1.00 0.00 H new ATOM 492 N GLU A 35 21.049 -5.462 3.846 1.00 0.00 N ATOM 493 CA GLU A 35 20.881 -5.647 5.282 1.00 0.00 C ATOM 494 C GLU A 35 19.444 -6.037 5.617 1.00 0.00 C ATOM 495 O GLU A 35 18.497 -5.556 4.993 1.00 0.00 O ATOM 496 CB GLU A 35 21.263 -4.369 6.032 1.00 0.00 C ATOM 497 CG GLU A 35 20.982 -4.432 7.524 1.00 0.00 C ATOM 498 CD GLU A 35 21.880 -5.418 8.246 1.00 0.00 C ATOM 499 OE1 GLU A 35 23.011 -5.648 7.771 1.00 0.00 O ATOM 500 OE2 GLU A 35 21.450 -5.959 9.287 1.00 0.00 O ATOM 0 H GLU A 35 20.257 -5.017 3.383 1.00 0.00 H new ATOM 0 HA GLU A 35 21.541 -6.455 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.324 -4.171 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.717 -3.529 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 35 21.115 -3.441 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 19.940 -4.712 7.682 1.00 0.00 H new ATOM 507 N THR A 36 19.289 -6.912 6.606 1.00 0.00 N ATOM 508 CA THR A 36 17.969 -7.368 7.023 1.00 0.00 C ATOM 509 C THR A 36 17.163 -6.229 7.637 1.00 0.00 C ATOM 510 O THR A 36 17.490 -5.737 8.717 1.00 0.00 O ATOM 511 CB THR A 36 18.068 -8.520 8.040 1.00 0.00 C ATOM 512 OG1 THR A 36 18.823 -9.602 7.484 1.00 0.00 O ATOM 513 CG2 THR A 36 16.685 -9.011 8.438 1.00 0.00 C ATOM 0 H THR A 36 20.062 -7.319 7.133 1.00 0.00 H new ATOM 0 HA THR A 36 17.461 -7.727 6.128 1.00 0.00 H new ATOM 0 HB THR A 36 18.573 -8.146 8.931 1.00 0.00 H new ATOM 0 HG1 THR A 36 18.882 -10.329 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.781 -9.825 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.124 -8.192 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.157 -9.368 7.554 1.00 0.00 H new ATOM 521 N MET A 37 16.108 -5.816 6.944 1.00 0.00 N ATOM 522 CA MET A 37 15.253 -4.736 7.424 1.00 0.00 C ATOM 523 C MET A 37 13.782 -5.132 7.350 1.00 0.00 C ATOM 524 O MET A 37 13.380 -5.908 6.482 1.00 0.00 O ATOM 525 CB MET A 37 15.493 -3.465 6.606 1.00 0.00 C ATOM 526 CG MET A 37 16.885 -2.881 6.784 1.00 0.00 C ATOM 527 SD MET A 37 16.957 -1.124 6.386 1.00 0.00 S ATOM 528 CE MET A 37 16.112 -0.422 7.801 1.00 0.00 C ATOM 0 H MET A 37 15.824 -6.212 6.048 1.00 0.00 H new ATOM 0 HA MET A 37 15.506 -4.542 8.466 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.333 -3.686 5.551 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.754 -2.715 6.890 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.208 -3.030 7.814 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.586 -3.423 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.981 0.650 7.652 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.136 -0.895 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.704 -0.593 8.700 1.00 0.00 H new ATOM 538 N THR A 38 12.982 -4.595 8.266 1.00 0.00 N ATOM 539 CA THR A 38 11.556 -4.894 8.305 1.00 0.00 C ATOM 540 C THR A 38 10.744 -3.786 7.645 1.00 0.00 C ATOM 541 O THR A 38 10.842 -2.620 8.027 1.00 0.00 O ATOM 542 CB THR A 38 11.062 -5.086 9.751 1.00 0.00 C ATOM 543 OG1 THR A 38 11.897 -6.029 10.433 1.00 0.00 O ATOM 544 CG2 THR A 38 9.620 -5.571 9.771 1.00 0.00 C ATOM 0 H THR A 38 13.298 -3.951 8.991 1.00 0.00 H new ATOM 0 HA THR A 38 11.412 -5.823 7.754 1.00 0.00 H new ATOM 0 HB THR A 38 11.112 -4.123 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.577 -6.144 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.294 -5.699 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.983 -4.838 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.549 -6.524 9.247 1.00 0.00 H new ATOM 552 N CYS A 39 9.942 -4.158 6.654 1.00 0.00 N ATOM 553 CA CYS A 39 9.111 -3.194 5.940 1.00 0.00 C ATOM 554 C CYS A 39 7.637 -3.391 6.277 1.00 0.00 C ATOM 555 O CYS A 39 7.070 -4.455 6.028 1.00 0.00 O ATOM 556 CB CYS A 39 9.324 -3.325 4.431 1.00 0.00 C ATOM 557 SG CYS A 39 10.830 -2.529 3.826 1.00 0.00 S ATOM 0 H CYS A 39 9.849 -5.119 6.326 1.00 0.00 H new ATOM 0 HA CYS A 39 9.406 -2.193 6.256 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.355 -4.383 4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.466 -2.894 3.915 1.00 0.00 H new ATOM 0 HG CYS A 39 10.923 -2.696 2.540 1.00 0.00 H new ATOM 563 N ARG A 40 7.023 -2.360 6.848 1.00 0.00 N ATOM 564 CA ARG A 40 5.615 -2.421 7.222 1.00 0.00 C ATOM 565 C ARG A 40 4.906 -1.113 6.886 1.00 0.00 C ATOM 566 O ARG A 40 5.547 -0.080 6.686 1.00 0.00 O ATOM 567 CB ARG A 40 5.475 -2.721 8.716 1.00 0.00 C ATOM 568 CG ARG A 40 5.928 -1.579 9.611 1.00 0.00 C ATOM 569 CD ARG A 40 6.133 -2.042 11.045 1.00 0.00 C ATOM 570 NE ARG A 40 6.815 -1.035 11.853 1.00 0.00 N ATOM 571 CZ ARG A 40 8.134 -0.879 11.875 1.00 0.00 C ATOM 572 NH1 ARG A 40 8.909 -1.660 11.136 1.00 0.00 N ATOM 573 NH2 ARG A 40 8.679 0.061 12.637 1.00 0.00 N ATOM 0 H ARG A 40 7.478 -1.473 7.062 1.00 0.00 H new ATOM 0 HA ARG A 40 5.148 -3.224 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.433 -2.952 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.056 -3.612 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.858 -1.161 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.186 -0.781 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.167 -2.273 11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.714 -2.964 11.049 1.00 0.00 H new ATOM 0 HE ARG A 40 6.247 -0.417 12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.493 -2.383 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.922 -1.538 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.085 0.664 13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.692 0.180 12.654 1.00 0.00 H new ATOM 587 N LEU A 41 3.580 -1.163 6.826 1.00 0.00 N ATOM 588 CA LEU A 41 2.782 0.018 6.514 1.00 0.00 C ATOM 589 C LEU A 41 2.104 0.563 7.767 1.00 0.00 C ATOM 590 O LEU A 41 2.028 -0.117 8.790 1.00 0.00 O ATOM 591 CB LEU A 41 1.730 -0.318 5.456 1.00 0.00 C ATOM 592 CG LEU A 41 2.157 -0.125 4.000 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.301 -0.975 3.075 1.00 0.00 C ATOM 594 CD2 LEU A 41 2.072 1.343 3.609 1.00 0.00 C ATOM 0 H LEU A 41 3.034 -2.009 6.989 1.00 0.00 H new ATOM 0 HA LEU A 41 3.450 0.785 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.427 -1.356 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.849 0.297 5.640 1.00 0.00 H new ATOM 0 HG LEU A 41 3.193 -0.447 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.620 -0.824 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.413 -2.026 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.255 -0.685 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.379 1.461 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.046 1.692 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.730 1.929 4.251 1.00 0.00 H new ATOM 606 N SER A 42 1.609 1.794 7.677 1.00 0.00 N ATOM 607 CA SER A 42 0.938 2.431 8.804 1.00 0.00 C ATOM 608 C SER A 42 -0.466 1.865 8.991 1.00 0.00 C ATOM 609 O SER A 42 -0.930 1.050 8.195 1.00 0.00 O ATOM 610 CB SER A 42 0.865 3.945 8.591 1.00 0.00 C ATOM 611 OG SER A 42 0.561 4.616 9.802 1.00 0.00 O ATOM 0 H SER A 42 1.660 2.369 6.836 1.00 0.00 H new ATOM 0 HA SER A 42 1.517 2.224 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.816 4.307 8.200 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.105 4.174 7.844 1.00 0.00 H new ATOM 0 HG SER A 42 0.521 5.582 9.640 1.00 0.00 H new ATOM 617 N ASN A 43 -1.138 2.303 10.051 1.00 0.00 N ATOM 618 CA ASN A 43 -2.489 1.839 10.345 1.00 0.00 C ATOM 619 C ASN A 43 -3.341 1.809 9.080 1.00 0.00 C ATOM 620 O ASN A 43 -3.902 0.775 8.721 1.00 0.00 O ATOM 621 CB ASN A 43 -3.144 2.741 11.393 1.00 0.00 C ATOM 622 CG ASN A 43 -2.237 2.999 12.581 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.251 3.728 12.477 1.00 0.00 O ATOM 624 ND2 ASN A 43 -2.569 2.399 13.719 1.00 0.00 N ATOM 0 H ASN A 43 -0.769 2.978 10.720 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.420 0.825 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.415 3.691 10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.069 2.279 11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.997 2.534 14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.396 1.803 13.759 1.00 0.00 H new ATOM 631 N ASN A 44 -3.432 2.952 8.407 1.00 0.00 N ATOM 632 CA ASN A 44 -4.215 3.058 7.182 1.00 0.00 C ATOM 633 C ASN A 44 -3.316 2.975 5.952 1.00 0.00 C ATOM 634 O ASN A 44 -3.705 3.385 4.859 1.00 0.00 O ATOM 635 CB ASN A 44 -5.002 4.370 7.165 1.00 0.00 C ATOM 636 CG ASN A 44 -6.331 4.257 7.886 1.00 0.00 C ATOM 637 OD1 ASN A 44 -7.085 3.307 7.675 1.00 0.00 O ATOM 638 ND2 ASN A 44 -6.624 5.229 8.742 1.00 0.00 N ATOM 0 H ASN A 44 -2.973 3.818 8.690 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.915 2.223 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.405 5.154 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.177 4.672 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.505 5.207 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.968 5.997 8.885 1.00 0.00 H new ATOM 645 N GLN A 45 -2.113 2.443 6.141 1.00 0.00 N ATOM 646 CA GLN A 45 -1.158 2.307 5.047 1.00 0.00 C ATOM 647 C GLN A 45 -0.947 3.642 4.340 1.00 0.00 C ATOM 648 O GLN A 45 -0.991 3.719 3.112 1.00 0.00 O ATOM 649 CB GLN A 45 -1.644 1.258 4.045 1.00 0.00 C ATOM 650 CG GLN A 45 -2.175 -0.007 4.700 1.00 0.00 C ATOM 651 CD GLN A 45 -3.061 -0.816 3.773 1.00 0.00 C ATOM 652 OE1 GLN A 45 -2.784 -0.936 2.579 1.00 0.00 O ATOM 653 NE2 GLN A 45 -4.134 -1.375 4.318 1.00 0.00 N ATOM 0 H GLN A 45 -1.776 2.099 7.040 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.206 1.984 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.429 1.694 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.822 0.995 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.336 -0.623 5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.739 0.260 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.325 -1.250 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.768 -1.930 3.743 1.00 0.00 H new ATOM 662 N ARG A 46 -0.717 4.691 5.123 1.00 0.00 N ATOM 663 CA ARG A 46 -0.501 6.023 4.572 1.00 0.00 C ATOM 664 C ARG A 46 0.990 6.337 4.478 1.00 0.00 C ATOM 665 O ARG A 46 1.388 7.330 3.868 1.00 0.00 O ATOM 666 CB ARG A 46 -1.201 7.075 5.435 1.00 0.00 C ATOM 667 CG ARG A 46 -2.680 7.231 5.124 1.00 0.00 C ATOM 668 CD ARG A 46 -3.250 8.498 5.744 1.00 0.00 C ATOM 669 NE ARG A 46 -2.786 9.700 5.056 1.00 0.00 N ATOM 670 CZ ARG A 46 -3.220 10.923 5.339 1.00 0.00 C ATOM 671 NH1 ARG A 46 -4.124 11.104 6.292 1.00 0.00 N ATOM 672 NH2 ARG A 46 -2.750 11.967 4.669 1.00 0.00 N ATOM 0 H ARG A 46 -0.675 4.644 6.141 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.924 6.047 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.085 6.807 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.706 8.036 5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.825 7.256 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.225 6.364 5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.339 8.459 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.964 8.548 6.795 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.090 9.594 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.487 10.303 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.456 12.044 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.054 11.831 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.084 12.906 4.887 1.00 0.00 H new ATOM 686 N TYR A 47 1.808 5.485 5.086 1.00 0.00 N ATOM 687 CA TYR A 47 3.253 5.673 5.074 1.00 0.00 C ATOM 688 C TYR A 47 3.975 4.363 5.373 1.00 0.00 C ATOM 689 O TYR A 47 3.430 3.476 6.032 1.00 0.00 O ATOM 690 CB TYR A 47 3.659 6.737 6.095 1.00 0.00 C ATOM 691 CG TYR A 47 2.770 7.959 6.082 1.00 0.00 C ATOM 692 CD1 TYR A 47 1.597 7.997 6.827 1.00 0.00 C ATOM 693 CD2 TYR A 47 3.102 9.077 5.327 1.00 0.00 C ATOM 694 CE1 TYR A 47 0.781 9.111 6.817 1.00 0.00 C ATOM 695 CE2 TYR A 47 2.293 10.196 5.313 1.00 0.00 C ATOM 696 CZ TYR A 47 1.133 10.208 6.059 1.00 0.00 C ATOM 697 OH TYR A 47 0.323 11.321 6.048 1.00 0.00 O ATOM 0 H TYR A 47 1.495 4.657 5.593 1.00 0.00 H new ATOM 0 HA TYR A 47 3.542 6.007 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.643 6.297 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.686 7.043 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.319 7.141 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.009 9.071 4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.128 9.123 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.567 11.057 4.721 1.00 0.00 H new ATOM 0 HH TYR A 47 0.715 12.005 5.465 1.00 0.00 H new ATOM 707 N LEU A 48 5.206 4.248 4.885 1.00 0.00 N ATOM 708 CA LEU A 48 6.005 3.047 5.100 1.00 0.00 C ATOM 709 C LEU A 48 7.009 3.256 6.229 1.00 0.00 C ATOM 710 O LEU A 48 7.481 4.370 6.456 1.00 0.00 O ATOM 711 CB LEU A 48 6.740 2.663 3.814 1.00 0.00 C ATOM 712 CG LEU A 48 5.885 2.024 2.718 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.614 2.060 1.384 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.521 0.595 3.091 1.00 0.00 C ATOM 0 H LEU A 48 5.672 4.972 4.338 1.00 0.00 H new ATOM 0 HA LEU A 48 5.331 2.238 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.209 3.558 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.543 1.972 4.070 1.00 0.00 H new ATOM 0 HG LEU A 48 4.964 2.598 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.991 1.601 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.823 3.094 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.551 1.510 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.913 0.156 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.431 0.009 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.958 0.595 4.024 1.00 0.00 H new ATOM 726 N PHE A 49 7.332 2.176 6.934 1.00 0.00 N ATOM 727 CA PHE A 49 8.281 2.241 8.039 1.00 0.00 C ATOM 728 C PHE A 49 9.305 1.113 7.943 1.00 0.00 C ATOM 729 O PHE A 49 8.953 -0.042 7.699 1.00 0.00 O ATOM 730 CB PHE A 49 7.544 2.162 9.377 1.00 0.00 C ATOM 731 CG PHE A 49 6.409 3.140 9.495 1.00 0.00 C ATOM 732 CD1 PHE A 49 6.577 4.464 9.122 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.176 2.735 9.979 1.00 0.00 C ATOM 734 CE1 PHE A 49 5.535 5.366 9.228 1.00 0.00 C ATOM 735 CE2 PHE A 49 4.130 3.632 10.087 1.00 0.00 C ATOM 736 CZ PHE A 49 4.310 4.950 9.713 1.00 0.00 C ATOM 0 H PHE A 49 6.951 1.246 6.760 1.00 0.00 H new ATOM 0 HA PHE A 49 8.808 3.193 7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.158 1.152 9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.253 2.342 10.185 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.533 4.795 8.744 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.030 1.707 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.678 6.395 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.173 3.303 10.463 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.495 5.653 9.800 1.00 0.00 H new ATOM 746 N LEU A 50 10.574 1.456 8.137 1.00 0.00 N ATOM 747 CA LEU A 50 11.650 0.474 8.072 1.00 0.00 C ATOM 748 C LEU A 50 12.288 0.274 9.443 1.00 0.00 C ATOM 749 O LEU A 50 12.196 1.139 10.314 1.00 0.00 O ATOM 750 CB LEU A 50 12.712 0.918 7.063 1.00 0.00 C ATOM 751 CG LEU A 50 12.194 1.354 5.692 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.339 1.851 4.823 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.462 0.208 5.009 1.00 0.00 C ATOM 0 H LEU A 50 10.882 2.407 8.341 1.00 0.00 H new ATOM 0 HA LEU A 50 11.223 -0.475 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.273 1.745 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.414 0.097 6.920 1.00 0.00 H new ATOM 0 HG LEU A 50 11.490 2.174 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.952 2.157 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.820 2.701 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.067 1.051 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.100 0.537 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.143 -0.633 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.617 -0.102 5.624 1.00 0.00 H new ATOM 765 N ASP A 51 12.934 -0.872 9.627 1.00 0.00 N ATOM 766 CA ASP A 51 13.590 -1.186 10.891 1.00 0.00 C ATOM 767 C ASP A 51 14.944 -1.848 10.651 1.00 0.00 C ATOM 768 O ASP A 51 15.110 -2.621 9.709 1.00 0.00 O ATOM 769 CB ASP A 51 12.704 -2.100 11.737 1.00 0.00 C ATOM 770 CG ASP A 51 13.317 -2.414 13.087 1.00 0.00 C ATOM 771 OD1 ASP A 51 14.048 -1.554 13.621 1.00 0.00 O ATOM 772 OD2 ASP A 51 13.067 -3.520 13.611 1.00 0.00 O ATOM 0 H ASP A 51 13.017 -1.599 8.917 1.00 0.00 H new ATOM 0 HA ASP A 51 13.753 -0.252 11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.733 -1.626 11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.526 -3.030 11.197 1.00 0.00 H new ATOM 777 N GLY A 52 15.909 -1.538 11.512 1.00 0.00 N ATOM 778 CA GLY A 52 17.236 -2.110 11.376 1.00 0.00 C ATOM 779 C GLY A 52 18.324 -1.175 11.865 1.00 0.00 C ATOM 780 O GLY A 52 18.221 -0.607 12.952 1.00 0.00 O ATOM 0 H GLY A 52 15.795 -0.901 12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.285 -3.044 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.416 -2.356 10.330 1.00 0.00 H new ATOM 784 N ASP A 53 19.370 -1.015 11.061 1.00 0.00 N ATOM 785 CA ASP A 53 20.482 -0.143 11.419 1.00 0.00 C ATOM 786 C ASP A 53 19.986 1.092 12.166 1.00 0.00 C ATOM 787 O ASP A 53 20.503 1.435 13.229 1.00 0.00 O ATOM 788 CB ASP A 53 21.250 0.279 10.165 1.00 0.00 C ATOM 789 CG ASP A 53 22.112 -0.838 9.611 1.00 0.00 C ATOM 790 OD1 ASP A 53 21.861 -2.010 9.961 1.00 0.00 O ATOM 791 OD2 ASP A 53 23.040 -0.541 8.829 1.00 0.00 O ATOM 0 H ASP A 53 19.471 -1.478 10.158 1.00 0.00 H new ATOM 0 HA ASP A 53 21.151 -0.699 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.543 0.601 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.879 1.137 10.400 1.00 0.00 H new ATOM 796 N SER A 54 18.982 1.755 11.601 1.00 0.00 N ATOM 797 CA SER A 54 18.420 2.954 12.211 1.00 0.00 C ATOM 798 C SER A 54 16.931 3.073 11.903 1.00 0.00 C ATOM 799 O SER A 54 16.361 2.235 11.203 1.00 0.00 O ATOM 800 CB SER A 54 19.156 4.199 11.713 1.00 0.00 C ATOM 801 OG SER A 54 20.323 4.443 12.480 1.00 0.00 O ATOM 0 H SER A 54 18.541 1.482 10.722 1.00 0.00 H new ATOM 0 HA SER A 54 18.545 2.875 13.291 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.426 4.071 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.494 5.063 11.768 1.00 0.00 H new ATOM 0 HG SER A 54 20.618 3.609 12.901 1.00 0.00 H new ATOM 807 N HIS A 55 16.305 4.120 12.432 1.00 0.00 N ATOM 808 CA HIS A 55 14.881 4.351 12.214 1.00 0.00 C ATOM 809 C HIS A 55 14.644 5.065 10.886 1.00 0.00 C ATOM 810 O HIS A 55 14.789 6.284 10.791 1.00 0.00 O ATOM 811 CB HIS A 55 14.295 5.173 13.361 1.00 0.00 C ATOM 812 CG HIS A 55 14.400 4.501 14.695 1.00 0.00 C ATOM 813 ND1 HIS A 55 13.304 4.040 15.394 1.00 0.00 N ATOM 814 CD2 HIS A 55 15.480 4.210 15.457 1.00 0.00 C ATOM 815 CE1 HIS A 55 13.705 3.497 16.530 1.00 0.00 C ATOM 816 NE2 HIS A 55 15.022 3.587 16.592 1.00 0.00 N ATOM 0 H HIS A 55 16.761 4.822 13.015 1.00 0.00 H new ATOM 0 HA HIS A 55 14.381 3.383 12.180 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.807 6.134 13.407 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.246 5.380 13.149 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.510 4.427 15.217 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.066 3.055 17.280 1.00 0.00 H new ATOM 0 HE2 HIS A 55 15.604 3.249 17.358 1.00 0.00 H new ATOM 824 N TYR A 56 14.279 4.298 9.865 1.00 0.00 N ATOM 825 CA TYR A 56 14.024 4.857 8.542 1.00 0.00 C ATOM 826 C TYR A 56 12.541 4.779 8.194 1.00 0.00 C ATOM 827 O TYR A 56 11.824 3.904 8.679 1.00 0.00 O ATOM 828 CB TYR A 56 14.847 4.117 7.486 1.00 0.00 C ATOM 829 CG TYR A 56 16.244 4.668 7.311 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.259 4.338 8.200 1.00 0.00 C ATOM 831 CD2 TYR A 56 16.549 5.519 6.255 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.536 4.840 8.044 1.00 0.00 C ATOM 833 CE2 TYR A 56 17.824 6.024 6.091 1.00 0.00 C ATOM 834 CZ TYR A 56 18.814 5.683 6.988 1.00 0.00 C ATOM 835 OH TYR A 56 20.085 6.184 6.828 1.00 0.00 O ATOM 0 H TYR A 56 14.153 3.288 9.928 1.00 0.00 H new ATOM 0 HA TYR A 56 14.320 5.906 8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.913 3.064 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.324 4.165 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.046 3.677 9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.776 5.790 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 56 19.313 4.574 8.745 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.044 6.683 5.264 1.00 0.00 H new ATOM 0 HH TYR A 56 20.112 6.760 6.036 1.00 0.00 H new ATOM 845 N GLU A 57 12.088 5.701 7.351 1.00 0.00 N ATOM 846 CA GLU A 57 10.690 5.737 6.937 1.00 0.00 C ATOM 847 C GLU A 57 10.541 6.426 5.584 1.00 0.00 C ATOM 848 O GLU A 57 10.938 7.580 5.416 1.00 0.00 O ATOM 849 CB GLU A 57 9.844 6.461 7.987 1.00 0.00 C ATOM 850 CG GLU A 57 10.177 7.938 8.124 1.00 0.00 C ATOM 851 CD GLU A 57 9.362 8.809 7.188 1.00 0.00 C ATOM 852 OE1 GLU A 57 8.124 8.650 7.155 1.00 0.00 O ATOM 853 OE2 GLU A 57 9.964 9.650 6.488 1.00 0.00 O ATOM 0 H GLU A 57 12.668 6.433 6.941 1.00 0.00 H new ATOM 0 HA GLU A 57 10.338 4.710 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.791 6.357 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.984 5.975 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.001 8.252 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.238 8.088 7.922 1.00 0.00 H new ATOM 860 N ILE A 58 9.967 5.711 4.623 1.00 0.00 N ATOM 861 CA ILE A 58 9.764 6.252 3.285 1.00 0.00 C ATOM 862 C ILE A 58 8.320 6.702 3.086 1.00 0.00 C ATOM 863 O ILE A 58 7.437 5.885 2.828 1.00 0.00 O ATOM 864 CB ILE A 58 10.123 5.220 2.200 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.579 4.775 2.350 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.882 5.803 0.815 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.893 3.484 1.627 1.00 0.00 C ATOM 0 H ILE A 58 9.634 4.755 4.746 1.00 0.00 H new ATOM 0 HA ILE A 58 10.426 7.113 3.189 1.00 0.00 H new ATOM 0 HB ILE A 58 9.482 4.347 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.232 5.562 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.806 4.654 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.140 5.062 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.832 6.075 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.501 6.690 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.942 3.229 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.266 2.684 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.698 3.607 0.562 1.00 0.00 H new ATOM 879 N GLU A 59 8.090 8.005 3.208 1.00 0.00 N ATOM 880 CA GLU A 59 6.753 8.562 3.040 1.00 0.00 C ATOM 881 C GLU A 59 6.256 8.365 1.611 1.00 0.00 C ATOM 882 O GLU A 59 6.859 8.862 0.659 1.00 0.00 O ATOM 883 CB GLU A 59 6.749 10.052 3.392 1.00 0.00 C ATOM 884 CG GLU A 59 6.717 10.324 4.887 1.00 0.00 C ATOM 885 CD GLU A 59 6.835 11.800 5.214 1.00 0.00 C ATOM 886 OE1 GLU A 59 6.130 12.608 4.574 1.00 0.00 O ATOM 887 OE2 GLU A 59 7.633 12.146 6.110 1.00 0.00 O ATOM 0 H GLU A 59 8.811 8.694 3.422 1.00 0.00 H new ATOM 0 HA GLU A 59 6.080 8.034 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.636 10.520 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.884 10.524 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.787 9.937 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.531 9.783 5.369 1.00 0.00 H new ATOM 894 N ILE A 60 5.154 7.637 1.469 1.00 0.00 N ATOM 895 CA ILE A 60 4.576 7.374 0.157 1.00 0.00 C ATOM 896 C ILE A 60 4.323 8.672 -0.602 1.00 0.00 C ATOM 897 O ILE A 60 4.312 8.692 -1.833 1.00 0.00 O ATOM 898 CB ILE A 60 3.254 6.592 0.271 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.495 5.233 0.931 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.624 6.416 -1.103 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.220 4.505 1.296 1.00 0.00 C ATOM 0 H ILE A 60 4.643 7.219 2.246 1.00 0.00 H new ATOM 0 HA ILE A 60 5.299 6.770 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 60 2.565 7.160 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.080 4.609 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.093 5.376 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.690 5.862 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.422 7.395 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.308 5.866 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.466 3.550 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.643 5.110 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.630 4.330 0.396 1.00 0.00 H new ATOM 913 N VAL A 61 4.120 9.756 0.141 1.00 0.00 N ATOM 914 CA VAL A 61 3.870 11.060 -0.461 1.00 0.00 C ATOM 915 C VAL A 61 5.057 11.513 -1.303 1.00 0.00 C ATOM 916 O VAL A 61 4.931 12.403 -2.145 1.00 0.00 O ATOM 917 CB VAL A 61 3.578 12.126 0.611 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.244 11.851 1.288 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.704 12.176 1.633 1.00 0.00 C ATOM 0 H VAL A 61 4.124 9.756 1.161 1.00 0.00 H new ATOM 0 HA VAL A 61 2.995 10.951 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 61 3.517 13.099 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.055 12.615 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.448 11.871 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.272 10.870 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.481 12.935 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.799 11.204 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.639 12.425 1.132 1.00 0.00 H new ATOM 929 N HIS A 62 6.211 10.895 -1.071 1.00 0.00 N ATOM 930 CA HIS A 62 7.422 11.234 -1.810 1.00 0.00 C ATOM 931 C HIS A 62 7.667 10.238 -2.939 1.00 0.00 C ATOM 932 O HIS A 62 8.151 10.606 -4.009 1.00 0.00 O ATOM 933 CB HIS A 62 8.627 11.263 -0.869 1.00 0.00 C ATOM 934 CG HIS A 62 8.660 12.465 0.025 1.00 0.00 C ATOM 935 ND1 HIS A 62 8.084 13.671 -0.313 1.00 0.00 N ATOM 936 CD2 HIS A 62 9.204 12.640 1.252 1.00 0.00 C ATOM 937 CE1 HIS A 62 8.273 14.537 0.666 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.950 13.936 1.628 1.00 0.00 N ATOM 0 H HIS A 62 6.333 10.157 -0.377 1.00 0.00 H new ATOM 0 HA HIS A 62 7.287 12.224 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.619 10.363 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.541 11.236 -1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.738 11.899 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.932 15.562 0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.237 14.365 2.508 1.00 0.00 H new ATOM 946 N ILE A 63 7.331 8.977 -2.691 1.00 0.00 N ATOM 947 CA ILE A 63 7.514 7.928 -3.687 1.00 0.00 C ATOM 948 C ILE A 63 6.850 8.303 -5.008 1.00 0.00 C ATOM 949 O ILE A 63 5.708 8.761 -5.033 1.00 0.00 O ATOM 950 CB ILE A 63 6.942 6.583 -3.201 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.568 6.193 -1.861 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.183 5.499 -4.240 1.00 0.00 C ATOM 953 CD1 ILE A 63 6.994 4.923 -1.273 1.00 0.00 C ATOM 0 H ILE A 63 6.931 8.657 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 63 8.588 7.822 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 63 5.867 6.691 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.643 6.069 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.426 7.009 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.773 4.554 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.695 5.776 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.254 5.389 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.484 4.707 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.924 5.050 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.159 4.095 -1.963 1.00 0.00 H new ATOM 965 N SER A 64 7.574 8.102 -6.105 1.00 0.00 N ATOM 966 CA SER A 64 7.056 8.421 -7.431 1.00 0.00 C ATOM 967 C SER A 64 6.679 7.150 -8.186 1.00 0.00 C ATOM 968 O SER A 64 5.513 6.933 -8.519 1.00 0.00 O ATOM 969 CB SER A 64 8.092 9.214 -8.229 1.00 0.00 C ATOM 970 OG SER A 64 8.562 10.328 -7.490 1.00 0.00 O ATOM 0 H SER A 64 8.520 7.720 -6.102 1.00 0.00 H new ATOM 0 HA SER A 64 6.160 9.029 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.929 8.566 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.651 9.555 -9.166 1.00 0.00 H new ATOM 0 HG SER A 64 9.224 10.817 -8.021 1.00 0.00 H new ATOM 976 N THR A 65 7.675 6.311 -8.454 1.00 0.00 N ATOM 977 CA THR A 65 7.450 5.062 -9.172 1.00 0.00 C ATOM 978 C THR A 65 7.479 3.870 -8.222 1.00 0.00 C ATOM 979 O THR A 65 8.305 3.808 -7.312 1.00 0.00 O ATOM 980 CB THR A 65 8.504 4.851 -10.275 1.00 0.00 C ATOM 981 OG1 THR A 65 8.519 5.976 -11.160 1.00 0.00 O ATOM 982 CG2 THR A 65 8.215 3.582 -11.063 1.00 0.00 C ATOM 0 H THR A 65 8.645 6.474 -8.185 1.00 0.00 H new ATOM 0 HA THR A 65 6.464 5.134 -9.631 1.00 0.00 H new ATOM 0 HB THR A 65 9.480 4.751 -9.800 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.193 5.835 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.972 3.454 -11.836 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.234 2.724 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.232 3.658 -11.527 1.00 0.00 H new ATOM 990 N VAL A 66 6.571 2.924 -8.440 1.00 0.00 N ATOM 991 CA VAL A 66 6.493 1.732 -7.604 1.00 0.00 C ATOM 992 C VAL A 66 6.331 0.476 -8.452 1.00 0.00 C ATOM 993 O VAL A 66 5.236 0.170 -8.922 1.00 0.00 O ATOM 994 CB VAL A 66 5.321 1.820 -6.608 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.222 0.544 -5.786 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.480 3.035 -5.706 1.00 0.00 C ATOM 0 H VAL A 66 5.879 2.960 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 66 7.429 1.674 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 66 4.395 1.933 -7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.389 0.625 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.058 -0.305 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.148 0.397 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.644 3.082 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.413 2.955 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.497 3.940 -6.314 1.00 0.00 H new ATOM 1006 N GLN A 67 7.429 -0.248 -8.644 1.00 0.00 N ATOM 1007 CA GLN A 67 7.409 -1.472 -9.436 1.00 0.00 C ATOM 1008 C GLN A 67 7.993 -2.640 -8.649 1.00 0.00 C ATOM 1009 O GLN A 67 8.733 -2.442 -7.684 1.00 0.00 O ATOM 1010 CB GLN A 67 8.190 -1.276 -10.736 1.00 0.00 C ATOM 1011 CG GLN A 67 9.697 -1.355 -10.558 1.00 0.00 C ATOM 1012 CD GLN A 67 10.441 -1.374 -11.879 1.00 0.00 C ATOM 1013 OE1 GLN A 67 9.989 -0.795 -12.868 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.589 -2.040 -11.903 1.00 0.00 N ATOM 0 H GLN A 67 8.344 -0.008 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 67 6.371 -1.703 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.877 -2.033 -11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.933 -0.306 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.034 -0.503 -9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.946 -2.253 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.926 -2.505 -11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.134 -2.086 -12.764 1.00 0.00 H new ATOM 1023 N ILE A 68 7.657 -3.856 -9.066 1.00 0.00 N ATOM 1024 CA ILE A 68 8.149 -5.055 -8.400 1.00 0.00 C ATOM 1025 C ILE A 68 9.177 -5.780 -9.262 1.00 0.00 C ATOM 1026 O ILE A 68 9.047 -5.839 -10.486 1.00 0.00 O ATOM 1027 CB ILE A 68 7.001 -6.025 -8.066 1.00 0.00 C ATOM 1028 CG1 ILE A 68 6.009 -5.365 -7.107 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.551 -7.310 -7.465 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.689 -6.097 -7.004 1.00 0.00 C ATOM 0 H ILE A 68 7.046 -4.037 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 68 8.620 -4.730 -7.473 1.00 0.00 H new ATOM 0 HB ILE A 68 6.476 -6.274 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.460 -5.304 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.823 -4.343 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.727 -7.985 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.223 -7.787 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.098 -7.079 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.036 -5.573 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.217 -6.135 -7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.863 -7.112 -6.645 1.00 0.00 H new ATOM 1042 N LEU A 69 10.199 -6.331 -8.617 1.00 0.00 N ATOM 1043 CA LEU A 69 11.250 -7.055 -9.324 1.00 0.00 C ATOM 1044 C LEU A 69 10.893 -8.531 -9.467 1.00 0.00 C ATOM 1045 O LEU A 69 11.032 -9.309 -8.522 1.00 0.00 O ATOM 1046 CB LEU A 69 12.582 -6.909 -8.586 1.00 0.00 C ATOM 1047 CG LEU A 69 13.117 -5.484 -8.441 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.334 -5.461 -7.529 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.459 -4.902 -9.805 1.00 0.00 C ATOM 0 H LEU A 69 10.323 -6.290 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 69 11.346 -6.626 -10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.471 -7.337 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.331 -7.505 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 69 12.339 -4.868 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.701 -4.439 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.058 -5.837 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.117 -6.091 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.838 -3.887 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.220 -5.519 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.564 -4.882 -10.427 1.00 0.00 H new ATOM 1061 N THR A 70 10.436 -8.911 -10.656 1.00 0.00 N ATOM 1062 CA THR A 70 10.060 -10.294 -10.923 1.00 0.00 C ATOM 1063 C THR A 70 11.061 -10.965 -11.857 1.00 0.00 C ATOM 1064 O THR A 70 11.651 -10.315 -12.719 1.00 0.00 O ATOM 1065 CB THR A 70 8.654 -10.384 -11.547 1.00 0.00 C ATOM 1066 OG1 THR A 70 8.570 -9.527 -12.691 1.00 0.00 O ATOM 1067 CG2 THR A 70 7.588 -9.994 -10.535 1.00 0.00 C ATOM 0 H THR A 70 10.317 -8.281 -11.449 1.00 0.00 H new ATOM 0 HA THR A 70 10.058 -10.812 -9.964 1.00 0.00 H new ATOM 0 HB THR A 70 8.481 -11.416 -11.854 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.674 -9.591 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.604 -10.065 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.636 -10.667 -9.679 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.759 -8.970 -10.202 1.00 0.00 H new ATOM 1214 N ALA A 82 7.773 -12.833 -7.644 1.00 0.00 N ATOM 1215 CA ALA A 82 8.475 -11.607 -7.286 1.00 0.00 C ATOM 1216 C ALA A 82 9.570 -11.880 -6.260 1.00 0.00 C ATOM 1217 O ALA A 82 9.290 -12.109 -5.083 1.00 0.00 O ATOM 1218 CB ALA A 82 7.494 -10.574 -6.751 1.00 0.00 C ATOM 0 HA ALA A 82 8.947 -11.212 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.032 -9.663 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.751 -10.348 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.996 -10.970 -5.866 1.00 0.00 H new ATOM 1224 N THR A 83 10.819 -11.855 -6.714 1.00 0.00 N ATOM 1225 CA THR A 83 11.956 -12.102 -5.837 1.00 0.00 C ATOM 1226 C THR A 83 12.503 -10.799 -5.265 1.00 0.00 C ATOM 1227 O THR A 83 13.672 -10.715 -4.891 1.00 0.00 O ATOM 1228 CB THR A 83 13.088 -12.839 -6.577 1.00 0.00 C ATOM 1229 OG1 THR A 83 14.121 -13.203 -5.655 1.00 0.00 O ATOM 1230 CG2 THR A 83 13.670 -11.967 -7.680 1.00 0.00 C ATOM 0 H THR A 83 11.069 -11.666 -7.685 1.00 0.00 H new ATOM 0 HA THR A 83 11.595 -12.730 -5.023 1.00 0.00 H new ATOM 0 HB THR A 83 12.671 -13.739 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.317 -12.444 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.468 -12.508 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.888 -11.716 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.072 -11.052 -7.246 1.00 0.00 H new ATOM 1238 N GLY A 84 11.648 -9.782 -5.199 1.00 0.00 N ATOM 1239 CA GLY A 84 12.064 -8.496 -4.671 1.00 0.00 C ATOM 1240 C GLY A 84 11.125 -7.375 -5.069 1.00 0.00 C ATOM 1241 O GLY A 84 10.046 -7.621 -5.606 1.00 0.00 O ATOM 0 H GLY A 84 10.675 -9.826 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.117 -8.553 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.069 -8.268 -5.027 1.00 0.00 H new ATOM 1245 N MET A 85 11.536 -6.139 -4.802 1.00 0.00 N ATOM 1246 CA MET A 85 10.723 -4.975 -5.136 1.00 0.00 C ATOM 1247 C MET A 85 11.602 -3.776 -5.473 1.00 0.00 C ATOM 1248 O MET A 85 12.721 -3.654 -4.972 1.00 0.00 O ATOM 1249 CB MET A 85 9.789 -4.628 -3.975 1.00 0.00 C ATOM 1250 CG MET A 85 9.009 -3.341 -4.185 1.00 0.00 C ATOM 1251 SD MET A 85 7.697 -3.117 -2.969 1.00 0.00 S ATOM 1252 CE MET A 85 6.260 -3.028 -4.034 1.00 0.00 C ATOM 0 H MET A 85 12.426 -5.918 -4.356 1.00 0.00 H new ATOM 0 HA MET A 85 10.124 -5.221 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.087 -5.448 -3.827 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.376 -4.542 -3.061 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.693 -2.494 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.576 -3.343 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.476 -2.455 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.531 -2.540 -4.970 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.898 -4.035 -4.241 1.00 0.00 H new ATOM 1262 N PHE A 86 11.091 -2.892 -6.323 1.00 0.00 N ATOM 1263 CA PHE A 86 11.831 -1.702 -6.727 1.00 0.00 C ATOM 1264 C PHE A 86 10.974 -0.449 -6.570 1.00 0.00 C ATOM 1265 O PHE A 86 9.976 -0.274 -7.270 1.00 0.00 O ATOM 1266 CB PHE A 86 12.298 -1.835 -8.178 1.00 0.00 C ATOM 1267 CG PHE A 86 13.392 -0.873 -8.546 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.714 -1.161 -8.248 1.00 0.00 C ATOM 1269 CD2 PHE A 86 13.098 0.318 -9.190 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.722 -0.277 -8.585 1.00 0.00 C ATOM 1271 CE2 PHE A 86 14.101 1.205 -9.529 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.416 0.907 -9.227 1.00 0.00 C ATOM 0 H PHE A 86 10.167 -2.977 -6.746 1.00 0.00 H new ATOM 0 HA PHE A 86 12.702 -1.609 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.648 -2.853 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.448 -1.677 -8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 86 14.960 -2.086 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.072 0.556 -9.430 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.749 -0.512 -8.346 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.858 2.131 -10.030 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.202 1.598 -9.492 1.00 0.00 H new ATOM 1282 N LEU A 87 11.371 0.419 -5.646 1.00 0.00 N ATOM 1283 CA LEU A 87 10.641 1.656 -5.394 1.00 0.00 C ATOM 1284 C LEU A 87 11.526 2.872 -5.648 1.00 0.00 C ATOM 1285 O LEU A 87 12.748 2.798 -5.521 1.00 0.00 O ATOM 1286 CB LEU A 87 10.120 1.681 -3.957 1.00 0.00 C ATOM 1287 CG LEU A 87 9.241 0.500 -3.540 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.392 0.222 -2.053 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.785 0.770 -3.890 1.00 0.00 C ATOM 0 H LEU A 87 12.195 0.289 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 87 9.795 1.696 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.975 1.727 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.551 2.600 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 87 9.567 -0.384 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.760 -0.621 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.432 -0.016 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.092 1.103 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.174 -0.080 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.446 1.665 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.691 0.919 -4.966 1.00 0.00 H new ATOM 1301 N GLN A 88 10.900 3.990 -6.003 1.00 0.00 N ATOM 1302 CA GLN A 88 11.632 5.222 -6.272 1.00 0.00 C ATOM 1303 C GLN A 88 11.074 6.377 -5.448 1.00 0.00 C ATOM 1304 O GLN A 88 9.862 6.496 -5.269 1.00 0.00 O ATOM 1305 CB GLN A 88 11.566 5.564 -7.762 1.00 0.00 C ATOM 1306 CG GLN A 88 12.477 4.705 -8.624 1.00 0.00 C ATOM 1307 CD GLN A 88 12.926 5.415 -9.886 1.00 0.00 C ATOM 1308 OE1 GLN A 88 14.122 5.594 -10.119 1.00 0.00 O ATOM 1309 NE2 GLN A 88 11.968 5.825 -10.709 1.00 0.00 N ATOM 0 H GLN A 88 9.889 4.068 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 88 12.673 5.066 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.539 5.449 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.833 6.612 -7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.353 4.415 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.956 3.787 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.989 5.656 -10.477 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.211 6.309 -11.573 1.00 0.00 H new ATOM 1318 N TYR A 89 11.966 7.225 -4.949 1.00 0.00 N ATOM 1319 CA TYR A 89 11.563 8.370 -4.141 1.00 0.00 C ATOM 1320 C TYR A 89 12.602 9.485 -4.218 1.00 0.00 C ATOM 1321 O TYR A 89 13.711 9.284 -4.716 1.00 0.00 O ATOM 1322 CB TYR A 89 11.361 7.947 -2.685 1.00 0.00 C ATOM 1323 CG TYR A 89 12.592 7.336 -2.055 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.678 8.125 -1.697 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.670 5.969 -1.819 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.805 7.570 -1.122 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.792 5.406 -1.243 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.857 6.211 -0.897 1.00 0.00 C ATOM 1329 OH TYR A 89 15.978 5.654 -0.324 1.00 0.00 O ATOM 0 H TYR A 89 12.973 7.141 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 89 10.621 8.748 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.058 8.817 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.543 7.229 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.641 9.190 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.839 5.335 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.641 8.198 -0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.835 4.342 -1.065 1.00 0.00 H new ATOM 0 HH TYR A 89 15.853 4.686 -0.234 1.00 0.00 H new ATOM 1339 N THR A 90 12.236 10.662 -3.721 1.00 0.00 N ATOM 1340 CA THR A 90 13.134 11.810 -3.734 1.00 0.00 C ATOM 1341 C THR A 90 13.470 12.261 -2.317 1.00 0.00 C ATOM 1342 O THR A 90 12.623 12.222 -1.425 1.00 0.00 O ATOM 1343 CB THR A 90 12.521 12.994 -4.505 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.333 13.446 -3.846 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.194 12.596 -5.937 1.00 0.00 C ATOM 0 H THR A 90 11.323 10.845 -3.304 1.00 0.00 H new ATOM 0 HA THR A 90 14.047 11.491 -4.237 1.00 0.00 H new ATOM 0 HB THR A 90 13.252 13.802 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.951 14.200 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.762 13.448 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.106 12.281 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.479 11.773 -5.932 1.00 0.00 H new ATOM 1353 N VAL A 91 14.713 12.688 -2.116 1.00 0.00 N ATOM 1354 CA VAL A 91 15.160 13.148 -0.807 1.00 0.00 C ATOM 1355 C VAL A 91 15.606 14.605 -0.860 1.00 0.00 C ATOM 1356 O VAL A 91 16.267 15.045 -1.801 1.00 0.00 O ATOM 1357 CB VAL A 91 16.321 12.287 -0.276 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.833 12.836 1.047 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.884 10.837 -0.127 1.00 0.00 C ATOM 0 H VAL A 91 15.428 12.725 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 91 14.310 13.055 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 91 17.137 12.325 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.653 12.214 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.187 13.857 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.026 12.831 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.717 10.243 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.051 10.778 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.571 10.450 -1.097 1.00 0.00 H new ATOM 1369 N PRO A 92 15.238 15.374 0.176 1.00 0.00 N ATOM 1370 CA PRO A 92 15.591 16.794 0.272 1.00 0.00 C ATOM 1371 C PRO A 92 17.080 17.007 0.517 1.00 0.00 C ATOM 1372 O PRO A 92 17.667 16.391 1.407 1.00 0.00 O ATOM 1373 CB PRO A 92 14.776 17.281 1.473 1.00 0.00 C ATOM 1374 CG PRO A 92 14.557 16.063 2.301 1.00 0.00 C ATOM 1375 CD PRO A 92 14.450 14.917 1.333 1.00 0.00 C ATOM 0 HA PRO A 92 15.377 17.330 -0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.313 18.048 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.830 17.721 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.382 15.910 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.650 16.155 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.852 13.996 1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.414 14.717 1.060 1.00 0.00 H new ATOM 1383 N GLY A 93 17.688 17.883 -0.278 1.00 0.00 N ATOM 1384 CA GLY A 93 19.105 18.160 -0.130 1.00 0.00 C ATOM 1385 C GLY A 93 19.937 17.527 -1.227 1.00 0.00 C ATOM 1386 O GLY A 93 20.778 18.187 -1.839 1.00 0.00 O ATOM 0 H GLY A 93 17.225 18.405 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.264 19.238 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 93 19.445 17.792 0.838 1.00 0.00 H new ATOM 1390 N THR A 94 19.706 16.242 -1.476 1.00 0.00 N ATOM 1391 CA THR A 94 20.443 15.518 -2.504 1.00 0.00 C ATOM 1392 C THR A 94 19.938 15.876 -3.897 1.00 0.00 C ATOM 1393 O THR A 94 18.925 16.559 -4.043 1.00 0.00 O ATOM 1394 CB THR A 94 20.333 13.994 -2.306 1.00 0.00 C ATOM 1395 OG1 THR A 94 21.464 13.341 -2.893 1.00 0.00 O ATOM 1396 CG2 THR A 94 19.053 13.459 -2.930 1.00 0.00 C ATOM 0 H THR A 94 19.014 15.681 -0.979 1.00 0.00 H new ATOM 0 HA THR A 94 21.488 15.814 -2.412 1.00 0.00 H new ATOM 0 HB THR A 94 20.311 13.789 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.387 12.373 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.997 12.381 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.193 13.937 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.051 13.675 -3.998 1.00 0.00 H new ATOM 1404 N GLU A 95 20.651 15.410 -4.918 1.00 0.00 N ATOM 1405 CA GLU A 95 20.274 15.682 -6.300 1.00 0.00 C ATOM 1406 C GLU A 95 19.975 14.386 -7.047 1.00 0.00 C ATOM 1407 O GLU A 95 20.800 13.475 -7.088 1.00 0.00 O ATOM 1408 CB GLU A 95 21.388 16.450 -7.014 1.00 0.00 C ATOM 1409 CG GLU A 95 22.763 15.825 -6.845 1.00 0.00 C ATOM 1410 CD GLU A 95 23.374 16.117 -5.488 1.00 0.00 C ATOM 1411 OE1 GLU A 95 23.513 17.309 -5.144 1.00 0.00 O ATOM 1412 OE2 GLU A 95 23.712 15.153 -4.770 1.00 0.00 O ATOM 0 H GLU A 95 21.492 14.843 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 95 19.371 16.292 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.153 16.509 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.414 17.472 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.687 14.746 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.426 16.198 -7.626 1.00 0.00 H new ATOM 1419 N GLY A 96 18.786 14.312 -7.639 1.00 0.00 N ATOM 1420 CA GLY A 96 18.398 13.124 -8.377 1.00 0.00 C ATOM 1421 C GLY A 96 17.334 12.317 -7.658 1.00 0.00 C ATOM 1422 O GLY A 96 16.649 12.829 -6.772 1.00 0.00 O ATOM 0 H GLY A 96 18.085 15.053 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.027 13.415 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.276 12.499 -8.540 1.00 0.00 H new ATOM 1426 N VAL A 97 17.194 11.052 -8.041 1.00 0.00 N ATOM 1427 CA VAL A 97 16.206 10.173 -7.428 1.00 0.00 C ATOM 1428 C VAL A 97 16.860 8.909 -6.880 1.00 0.00 C ATOM 1429 O VAL A 97 17.733 8.321 -7.518 1.00 0.00 O ATOM 1430 CB VAL A 97 15.108 9.775 -8.432 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.121 8.812 -7.791 1.00 0.00 C ATOM 1432 CG2 VAL A 97 14.394 11.012 -8.958 1.00 0.00 C ATOM 0 H VAL A 97 17.752 10.613 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 97 15.753 10.730 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 97 15.577 9.268 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.353 8.542 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.647 7.913 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.655 9.289 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.621 10.713 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.936 11.549 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.112 11.662 -9.458 1.00 0.00 H new ATOM 1442 N THR A 98 16.431 8.495 -5.692 1.00 0.00 N ATOM 1443 CA THR A 98 16.974 7.301 -5.057 1.00 0.00 C ATOM 1444 C THR A 98 16.045 6.108 -5.242 1.00 0.00 C ATOM 1445 O THR A 98 14.833 6.270 -5.384 1.00 0.00 O ATOM 1446 CB THR A 98 17.210 7.524 -3.551 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.132 8.603 -3.354 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.751 6.263 -2.895 1.00 0.00 C ATOM 0 H THR A 98 15.709 8.969 -5.150 1.00 0.00 H new ATOM 0 HA THR A 98 17.928 7.093 -5.541 1.00 0.00 H new ATOM 0 HB THR A 98 16.255 7.773 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.275 8.740 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.910 6.445 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.035 5.451 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.697 5.988 -3.361 1.00 0.00 H new ATOM 1456 N GLN A 99 16.620 4.910 -5.240 1.00 0.00 N ATOM 1457 CA GLN A 99 15.840 3.689 -5.408 1.00 0.00 C ATOM 1458 C GLN A 99 16.094 2.718 -4.259 1.00 0.00 C ATOM 1459 O GLN A 99 17.170 2.715 -3.661 1.00 0.00 O ATOM 1460 CB GLN A 99 16.183 3.020 -6.741 1.00 0.00 C ATOM 1461 CG GLN A 99 17.629 2.563 -6.838 1.00 0.00 C ATOM 1462 CD GLN A 99 18.152 2.580 -8.261 1.00 0.00 C ATOM 1463 OE1 GLN A 99 17.923 3.533 -9.007 1.00 0.00 O ATOM 1464 NE2 GLN A 99 18.860 1.525 -8.645 1.00 0.00 N ATOM 0 H GLN A 99 17.622 4.758 -5.124 1.00 0.00 H new ATOM 0 HA GLN A 99 14.784 3.959 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.529 2.160 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.976 3.718 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 99 18.252 3.208 -6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.715 1.554 -6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.026 0.757 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.239 1.482 -9.591 1.00 0.00 H new ATOM 1473 N LEU A 100 15.096 1.896 -3.955 1.00 0.00 N ATOM 1474 CA LEU A 100 15.210 0.921 -2.876 1.00 0.00 C ATOM 1475 C LEU A 100 14.921 -0.488 -3.384 1.00 0.00 C ATOM 1476 O LEU A 100 13.815 -0.782 -3.839 1.00 0.00 O ATOM 1477 CB LEU A 100 14.248 1.273 -1.740 1.00 0.00 C ATOM 1478 CG LEU A 100 14.583 0.682 -0.370 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.555 1.581 0.377 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.315 0.472 0.445 1.00 0.00 C ATOM 0 H LEU A 100 14.199 1.885 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 100 16.233 0.950 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.210 2.358 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.248 0.942 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 100 15.059 -0.287 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.781 1.144 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.475 1.680 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.107 2.565 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.573 0.051 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.811 1.428 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.652 -0.213 -0.083 1.00 0.00 H new ATOM 1492 N LYS A 101 15.922 -1.358 -3.300 1.00 0.00 N ATOM 1493 CA LYS A 101 15.776 -2.738 -3.747 1.00 0.00 C ATOM 1494 C LYS A 101 15.482 -3.663 -2.570 1.00 0.00 C ATOM 1495 O LYS A 101 16.150 -3.602 -1.537 1.00 0.00 O ATOM 1496 CB LYS A 101 17.045 -3.200 -4.468 1.00 0.00 C ATOM 1497 CG LYS A 101 16.820 -4.376 -5.403 1.00 0.00 C ATOM 1498 CD LYS A 101 18.116 -4.822 -6.058 1.00 0.00 C ATOM 1499 CE LYS A 101 17.879 -5.954 -7.046 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.971 -6.047 -8.055 1.00 0.00 N ATOM 0 H LYS A 101 16.844 -1.131 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 101 14.936 -2.782 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.453 -2.366 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.795 -3.475 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.388 -5.207 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.099 -4.098 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.574 -3.978 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.819 -5.148 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.802 -6.898 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.927 -5.799 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.773 -6.830 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.028 -5.156 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.876 -6.220 -7.572 1.00 0.00 H new ATOM 1514 N LEU A 102 14.480 -4.521 -2.734 1.00 0.00 N ATOM 1515 CA LEU A 102 14.099 -5.460 -1.685 1.00 0.00 C ATOM 1516 C LEU A 102 14.254 -6.901 -2.162 1.00 0.00 C ATOM 1517 O LEU A 102 13.895 -7.235 -3.292 1.00 0.00 O ATOM 1518 CB LEU A 102 12.655 -5.208 -1.247 1.00 0.00 C ATOM 1519 CG LEU A 102 12.338 -3.793 -0.762 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.853 -3.651 -0.466 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.165 -3.454 0.469 1.00 0.00 C ATOM 0 H LEU A 102 13.918 -4.585 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 102 14.762 -5.305 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.997 -5.439 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.412 -5.908 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 102 12.598 -3.090 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.646 -2.638 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.281 -3.851 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.567 -4.363 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.927 -2.443 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.937 -4.161 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.225 -3.514 0.223 1.00 0.00 H new ATOM 1533 N THR A 103 14.788 -7.753 -1.293 1.00 0.00 N ATOM 1534 CA THR A 103 14.990 -9.157 -1.624 1.00 0.00 C ATOM 1535 C THR A 103 14.685 -10.053 -0.429 1.00 0.00 C ATOM 1536 O THR A 103 15.149 -9.801 0.683 1.00 0.00 O ATOM 1537 CB THR A 103 16.432 -9.422 -2.095 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.786 -8.500 -3.131 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.581 -10.848 -2.606 1.00 0.00 C ATOM 0 H THR A 103 15.089 -7.494 -0.353 1.00 0.00 H new ATOM 0 HA THR A 103 14.302 -9.392 -2.436 1.00 0.00 H new ATOM 0 HB THR A 103 17.099 -9.286 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.705 -8.674 -3.424 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.608 -11.012 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.339 -11.548 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.903 -11.007 -3.445 1.00 0.00 H new ATOM 1547 N VAL A 104 13.903 -11.102 -0.665 1.00 0.00 N ATOM 1548 CA VAL A 104 13.538 -12.037 0.392 1.00 0.00 C ATOM 1549 C VAL A 104 14.749 -12.833 0.864 1.00 0.00 C ATOM 1550 O VAL A 104 15.489 -13.396 0.057 1.00 0.00 O ATOM 1551 CB VAL A 104 12.445 -13.016 -0.077 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.088 -13.991 1.034 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.214 -12.255 -0.546 1.00 0.00 C ATOM 0 H VAL A 104 13.510 -11.325 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 104 13.152 -11.443 1.220 1.00 0.00 H new ATOM 0 HB VAL A 104 12.833 -13.589 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.314 -14.674 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.974 -14.560 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.720 -13.439 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.452 -12.962 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.823 -11.655 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.484 -11.602 -1.376 1.00 0.00 H new ATOM 1563 N VAL A 105 14.946 -12.877 2.178 1.00 0.00 N ATOM 1564 CA VAL A 105 16.067 -13.606 2.759 1.00 0.00 C ATOM 1565 C VAL A 105 15.600 -14.901 3.415 1.00 0.00 C ATOM 1566 O VAL A 105 14.546 -14.942 4.048 1.00 0.00 O ATOM 1567 CB VAL A 105 16.810 -12.753 3.804 1.00 0.00 C ATOM 1568 CG1 VAL A 105 15.865 -12.329 4.918 1.00 0.00 C ATOM 1569 CG2 VAL A 105 18.001 -13.516 4.365 1.00 0.00 C ATOM 0 H VAL A 105 14.344 -12.416 2.860 1.00 0.00 H new ATOM 0 HA VAL A 105 16.749 -13.841 1.942 1.00 0.00 H new ATOM 0 HB VAL A 105 17.182 -11.853 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.408 -11.727 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 105 15.049 -11.741 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.460 -13.214 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 105 18.514 -12.898 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.654 -14.434 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.689 -13.763 3.556 1.00 0.00 H new ATOM 1659 N ARG A 112 8.580 -17.369 2.196 1.00 0.00 N ATOM 1660 CA ARG A 112 8.367 -16.767 0.886 1.00 0.00 C ATOM 1661 C ARG A 112 6.908 -16.355 0.707 1.00 0.00 C ATOM 1662 O ARG A 112 6.616 -15.285 0.175 1.00 0.00 O ATOM 1663 CB ARG A 112 8.770 -17.745 -0.220 1.00 0.00 C ATOM 1664 CG ARG A 112 10.260 -17.740 -0.523 1.00 0.00 C ATOM 1665 CD ARG A 112 10.628 -16.627 -1.492 1.00 0.00 C ATOM 1666 NE ARG A 112 11.831 -16.944 -2.257 1.00 0.00 N ATOM 1667 CZ ARG A 112 12.348 -16.139 -3.179 1.00 0.00 C ATOM 1668 NH1 ARG A 112 11.770 -14.977 -3.449 1.00 0.00 N ATOM 1669 NH2 ARG A 112 13.446 -16.497 -3.833 1.00 0.00 N ATOM 0 HA ARG A 112 8.990 -15.875 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 112 8.470 -18.752 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.222 -17.498 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.820 -17.617 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.550 -18.702 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.798 -16.453 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.784 -15.701 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 112 12.300 -17.831 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 112 10.926 -14.699 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.169 -14.361 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.893 -17.390 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.843 -15.879 -4.541 1.00 0.00 H new ATOM 1683 N ARG A 113 5.998 -17.213 1.156 1.00 0.00 N ATOM 1684 CA ARG A 113 4.570 -16.940 1.044 1.00 0.00 C ATOM 1685 C ARG A 113 4.241 -15.544 1.566 1.00 0.00 C ATOM 1686 O ARG A 113 3.628 -14.739 0.867 1.00 0.00 O ATOM 1687 CB ARG A 113 3.766 -17.987 1.817 1.00 0.00 C ATOM 1688 CG ARG A 113 3.657 -19.323 1.099 1.00 0.00 C ATOM 1689 CD ARG A 113 2.740 -19.232 -0.110 1.00 0.00 C ATOM 1690 NE ARG A 113 2.677 -20.492 -0.845 1.00 0.00 N ATOM 1691 CZ ARG A 113 1.945 -20.669 -1.940 1.00 0.00 C ATOM 1692 NH1 ARG A 113 1.218 -19.671 -2.423 1.00 0.00 N ATOM 1693 NH2 ARG A 113 1.939 -21.845 -2.553 1.00 0.00 N ATOM 0 H ARG A 113 6.224 -18.103 1.601 1.00 0.00 H new ATOM 0 HA ARG A 113 4.298 -16.989 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.231 -18.144 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.764 -17.600 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.648 -19.649 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 113 3.279 -20.078 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.738 -18.952 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 113 3.092 -18.442 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 113 3.225 -21.280 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.220 -18.765 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.657 -19.809 -3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.497 -22.615 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.377 -21.979 -3.393 1.00 0.00 H new ATOM 1707 N GLN A 114 4.654 -15.267 2.799 1.00 0.00 N ATOM 1708 CA GLN A 114 4.402 -13.969 3.415 1.00 0.00 C ATOM 1709 C GLN A 114 5.058 -12.850 2.613 1.00 0.00 C ATOM 1710 O GLN A 114 4.376 -12.006 2.033 1.00 0.00 O ATOM 1711 CB GLN A 114 4.921 -13.955 4.854 1.00 0.00 C ATOM 1712 CG GLN A 114 4.587 -12.678 5.608 1.00 0.00 C ATOM 1713 CD GLN A 114 3.178 -12.683 6.168 1.00 0.00 C ATOM 1714 OE1 GLN A 114 2.669 -13.722 6.588 1.00 0.00 O ATOM 1715 NE2 GLN A 114 2.541 -11.518 6.178 1.00 0.00 N ATOM 0 H GLN A 114 5.164 -15.923 3.390 1.00 0.00 H new ATOM 0 HA GLN A 114 3.325 -13.801 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.501 -14.805 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.003 -14.088 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.298 -12.546 6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.706 -11.825 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.002 -10.682 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.591 -11.459 6.544 1.00 0.00 H new ATOM 1724 N ALA A 115 6.387 -12.849 2.586 1.00 0.00 N ATOM 1725 CA ALA A 115 7.136 -11.835 1.854 1.00 0.00 C ATOM 1726 C ALA A 115 6.520 -11.581 0.482 1.00 0.00 C ATOM 1727 O ALA A 115 6.122 -10.460 0.167 1.00 0.00 O ATOM 1728 CB ALA A 115 8.592 -12.252 1.713 1.00 0.00 C ATOM 0 H ALA A 115 6.967 -13.539 3.063 1.00 0.00 H new ATOM 0 HA ALA A 115 7.090 -10.905 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.139 -11.485 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.033 -12.374 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.649 -13.196 1.171 1.00 0.00 H new ATOM 1734 N VAL A 116 6.446 -12.631 -0.331 1.00 0.00 N ATOM 1735 CA VAL A 116 5.879 -12.522 -1.670 1.00 0.00 C ATOM 1736 C VAL A 116 4.549 -11.777 -1.644 1.00 0.00 C ATOM 1737 O VAL A 116 4.344 -10.826 -2.397 1.00 0.00 O ATOM 1738 CB VAL A 116 5.666 -13.909 -2.303 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.039 -13.776 -3.682 1.00 0.00 C ATOM 1740 CG2 VAL A 116 6.983 -14.667 -2.379 1.00 0.00 C ATOM 0 H VAL A 116 6.772 -13.566 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 116 6.594 -11.962 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 116 4.982 -14.476 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.896 -14.767 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.075 -13.275 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.696 -13.191 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.814 -15.645 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.692 -14.105 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.388 -14.794 -1.375 1.00 0.00 H new ATOM 1750 N ALA A 117 3.648 -12.217 -0.772 1.00 0.00 N ATOM 1751 CA ALA A 117 2.337 -11.591 -0.646 1.00 0.00 C ATOM 1752 C ALA A 117 2.467 -10.095 -0.380 1.00 0.00 C ATOM 1753 O ALA A 117 1.830 -9.280 -1.047 1.00 0.00 O ATOM 1754 CB ALA A 117 1.538 -12.259 0.464 1.00 0.00 C ATOM 0 H ALA A 117 3.802 -13.005 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 117 1.807 -11.721 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.562 -11.782 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.407 -13.316 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.073 -12.158 1.408 1.00 0.00 H new ATOM 1760 N TRP A 118 3.294 -9.742 0.597 1.00 0.00 N ATOM 1761 CA TRP A 118 3.506 -8.343 0.951 1.00 0.00 C ATOM 1762 C TRP A 118 3.933 -7.532 -0.267 1.00 0.00 C ATOM 1763 O TRP A 118 3.484 -6.402 -0.462 1.00 0.00 O ATOM 1764 CB TRP A 118 4.562 -8.228 2.052 1.00 0.00 C ATOM 1765 CG TRP A 118 4.730 -6.833 2.570 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.274 -6.340 3.760 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.399 -5.750 1.915 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.620 -5.015 3.883 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.311 -4.630 2.766 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.066 -5.617 0.695 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.864 -3.397 2.431 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.614 -4.393 0.364 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.512 -3.296 1.230 1.00 0.00 C ATOM 0 H TRP A 118 3.829 -10.405 1.158 1.00 0.00 H new ATOM 0 HA TRP A 118 2.562 -7.940 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.288 -8.884 2.878 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.518 -8.583 1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.723 -6.907 4.495 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.398 -4.416 4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.152 -6.457 0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.784 -2.550 3.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.130 -4.280 -0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.953 -2.353 0.944 1.00 0.00 H new ATOM 1784 N LEU A 119 4.802 -8.115 -1.085 1.00 0.00 N ATOM 1785 CA LEU A 119 5.290 -7.446 -2.286 1.00 0.00 C ATOM 1786 C LEU A 119 4.144 -7.152 -3.249 1.00 0.00 C ATOM 1787 O LEU A 119 3.822 -5.993 -3.511 1.00 0.00 O ATOM 1788 CB LEU A 119 6.346 -8.308 -2.981 1.00 0.00 C ATOM 1789 CG LEU A 119 7.608 -8.605 -2.171 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.429 -9.695 -2.842 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.439 -7.342 -1.996 1.00 0.00 C ATOM 0 H LEU A 119 5.183 -9.050 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 119 5.741 -6.500 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.886 -9.256 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.640 -7.812 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 119 7.308 -8.959 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.323 -9.893 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.834 -10.605 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.719 -9.369 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.333 -7.572 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.729 -6.959 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.851 -6.589 -1.471 1.00 0.00 H new ATOM 1803 N VAL A 120 3.530 -8.209 -3.772 1.00 0.00 N ATOM 1804 CA VAL A 120 2.418 -8.064 -4.703 1.00 0.00 C ATOM 1805 C VAL A 120 1.313 -7.198 -4.109 1.00 0.00 C ATOM 1806 O VAL A 120 0.691 -6.401 -4.809 1.00 0.00 O ATOM 1807 CB VAL A 120 1.829 -9.434 -5.091 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.317 -10.163 -3.859 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.721 -9.264 -6.120 1.00 0.00 C ATOM 0 H VAL A 120 3.784 -9.175 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 120 2.814 -7.580 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 120 2.619 -10.037 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.905 -11.128 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.139 -10.317 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.540 -9.567 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.316 -10.241 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.071 -8.643 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.124 -8.786 -7.013 1.00 0.00 H new ATOM 1819 N ALA A 121 1.074 -7.361 -2.811 1.00 0.00 N ATOM 1820 CA ALA A 121 0.046 -6.592 -2.121 1.00 0.00 C ATOM 1821 C ALA A 121 0.387 -5.106 -2.109 1.00 0.00 C ATOM 1822 O ALA A 121 -0.416 -4.272 -2.525 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.134 -7.107 -0.701 1.00 0.00 C ATOM 0 H ALA A 121 1.579 -8.019 -2.217 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.892 -6.717 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.905 -6.524 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.432 -8.155 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.806 -7.012 -0.158 1.00 0.00 H new ATOM 1829 N MET A 122 1.583 -4.782 -1.628 1.00 0.00 N ATOM 1830 CA MET A 122 2.030 -3.396 -1.562 1.00 0.00 C ATOM 1831 C MET A 122 1.781 -2.681 -2.886 1.00 0.00 C ATOM 1832 O MET A 122 1.293 -1.550 -2.910 1.00 0.00 O ATOM 1833 CB MET A 122 3.517 -3.333 -1.206 1.00 0.00 C ATOM 1834 CG MET A 122 4.071 -1.919 -1.155 1.00 0.00 C ATOM 1835 SD MET A 122 3.407 -0.962 0.222 1.00 0.00 S ATOM 1836 CE MET A 122 3.759 0.707 -0.324 1.00 0.00 C ATOM 0 H MET A 122 2.260 -5.461 -1.278 1.00 0.00 H new ATOM 0 HA MET A 122 1.456 -2.892 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.671 -3.810 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.082 -3.909 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.157 -1.961 -1.073 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.842 -1.409 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.868 1.358 0.543 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.684 0.714 -0.901 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.940 1.066 -0.947 1.00 0.00 H new ATOM 1846 N HIS A 123 2.120 -3.346 -3.985 1.00 0.00 N ATOM 1847 CA HIS A 123 1.933 -2.773 -5.314 1.00 0.00 C ATOM 1848 C HIS A 123 0.449 -2.623 -5.636 1.00 0.00 C ATOM 1849 O HIS A 123 0.008 -1.574 -6.107 1.00 0.00 O ATOM 1850 CB HIS A 123 2.610 -3.647 -6.369 1.00 0.00 C ATOM 1851 CG HIS A 123 2.484 -3.111 -7.762 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.421 -2.337 -8.177 1.00 0.00 N ATOM 1853 CD2 HIS A 123 3.297 -3.239 -8.837 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.584 -2.013 -9.448 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.715 -2.548 -9.872 1.00 0.00 N ATOM 0 H HIS A 123 2.526 -4.282 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 123 2.391 -1.784 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.667 -3.748 -6.122 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.177 -4.647 -6.333 1.00 0.00 H new ATOM 0 HD1 HIS A 123 0.632 -2.058 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.229 -3.783 -8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.908 -1.413 -10.039 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.317 -3.678 -5.380 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.751 -3.664 -5.642 1.00 0.00 C ATOM 1865 C LYS A 124 -2.415 -2.465 -4.973 1.00 0.00 C ATOM 1866 O LYS A 124 -3.093 -1.673 -5.628 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.394 -4.960 -5.143 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.275 -6.115 -6.123 1.00 0.00 C ATOM 1869 CD LYS A 124 -3.380 -6.078 -7.165 1.00 0.00 C ATOM 1870 CE LYS A 124 -3.009 -6.884 -8.400 1.00 0.00 C ATOM 1871 NZ LYS A 124 -1.950 -6.213 -9.203 1.00 0.00 N ATOM 0 H LYS A 124 0.032 -4.554 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.897 -3.584 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.930 -5.246 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.449 -4.777 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -1.305 -6.075 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -2.317 -7.059 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.300 -6.473 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -3.579 -5.045 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -2.664 -7.873 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -3.895 -7.030 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -1.937 -6.612 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -2.147 -5.193 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -1.025 -6.364 -8.753 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.215 -2.336 -3.666 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.791 -1.231 -2.909 1.00 0.00 C ATOM 1887 C ALA A 125 -2.234 0.107 -3.382 1.00 0.00 C ATOM 1888 O ALA A 125 -2.988 1.022 -3.711 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.531 -1.417 -1.422 1.00 0.00 C ATOM 0 H ALA A 125 -1.658 -2.984 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.867 -1.228 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.967 -0.585 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.983 -2.351 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.456 -1.449 -1.242 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.910 0.214 -3.413 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.252 1.441 -3.847 1.00 0.00 C ATOM 1897 C ALA A 126 -1.009 2.091 -5.000 1.00 0.00 C ATOM 1898 O ALA A 126 -1.048 3.315 -5.119 1.00 0.00 O ATOM 1899 CB ALA A 126 1.186 1.154 -4.252 1.00 0.00 C ATOM 0 H ALA A 126 -0.271 -0.534 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.249 2.139 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.665 2.079 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.728 0.742 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.197 0.436 -5.072 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.610 1.263 -5.849 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.366 1.757 -6.993 1.00 0.00 C ATOM 1907 C LYS A 127 -3.528 2.635 -6.540 1.00 0.00 C ATOM 1908 O LYS A 127 -3.661 3.779 -6.976 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.894 0.585 -7.826 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.799 -0.318 -8.367 1.00 0.00 C ATOM 1911 CD LYS A 127 -1.312 0.150 -9.728 1.00 0.00 C ATOM 1912 CE LYS A 127 -0.169 1.145 -9.599 1.00 0.00 C ATOM 1913 NZ LYS A 127 0.607 1.265 -10.865 1.00 0.00 N ATOM 0 H LYS A 127 -1.588 0.247 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.696 2.359 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.573 -0.008 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.476 0.976 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.963 -0.337 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -2.173 -1.339 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.984 -0.709 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.137 0.610 -10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.567 2.121 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.496 0.832 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.377 1.952 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.008 0.339 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.021 1.588 -11.628 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.365 2.094 -5.662 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.515 2.830 -5.147 1.00 0.00 C ATOM 1929 C LEU A 128 -5.080 4.151 -4.521 1.00 0.00 C ATOM 1930 O LEU A 128 -5.690 5.194 -4.760 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.266 1.986 -4.116 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.090 0.823 -4.672 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.460 -0.147 -3.561 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.339 1.341 -5.369 1.00 0.00 C ATOM 0 H LEU A 128 -4.269 1.148 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.180 3.047 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.542 1.585 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.932 2.642 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.484 0.290 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.046 -0.968 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.552 -0.543 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.048 0.373 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.913 0.500 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.948 1.898 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.052 1.996 -6.191 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.022 4.099 -3.719 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.503 5.293 -3.059 1.00 0.00 C ATOM 1948 C LEU A 129 -3.356 6.443 -4.051 1.00 0.00 C ATOM 1949 O LEU A 129 -3.869 7.539 -3.826 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.154 4.992 -2.406 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.205 4.460 -0.973 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.802 4.196 -0.451 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.939 5.438 -0.067 1.00 0.00 C ATOM 0 H LEU A 129 -3.507 3.244 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.214 5.591 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.628 4.264 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.558 5.905 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.752 3.517 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.859 3.818 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.311 3.457 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.229 5.123 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.966 5.043 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.420 6.397 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.958 5.576 -0.430 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.655 6.184 -5.148 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.440 7.198 -6.175 1.00 0.00 C ATOM 1967 C TYR A 130 -3.668 7.336 -7.069 1.00 0.00 C ATOM 1968 O TYR A 130 -4.295 8.393 -7.122 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.216 6.845 -7.021 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.076 6.254 -6.221 1.00 0.00 C ATOM 1971 CD1 TYR A 130 0.161 6.656 -4.913 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.762 5.294 -6.774 1.00 0.00 C ATOM 1973 CE1 TYR A 130 1.202 6.120 -4.179 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.804 4.751 -6.047 1.00 0.00 C ATOM 1975 CZ TYR A 130 2.020 5.168 -4.750 1.00 0.00 C ATOM 1976 OH TYR A 130 3.056 4.630 -4.022 1.00 0.00 O ATOM 0 H TYR A 130 -2.226 5.281 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.266 8.152 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.512 6.136 -7.794 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.865 7.743 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.479 7.400 -4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.596 4.966 -7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.374 6.445 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.446 4.005 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 130 3.896 5.066 -4.277 1.00 0.00 H new