USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 SER OG : rot 48:sc= 0.804 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0462 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 28:sc= 0.688 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.957 X(o=-0.96,f=-0.69!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.797 -4.809 -1.020 1.00 0.00 N ATOM 78 CA GLY A 9 2.487 -4.189 -0.941 1.00 0.00 C ATOM 79 C GLY A 9 2.558 -2.735 -0.517 1.00 0.00 C ATOM 80 O GLY A 9 3.015 -2.424 0.583 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.997 -4.257 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.869 -4.741 -0.233 1.00 0.00 H new ATOM 84 N TYR A 10 2.109 -1.843 -1.392 1.00 0.00 N ATOM 85 CA TYR A 10 2.128 -0.414 -1.105 1.00 0.00 C ATOM 86 C TYR A 10 0.896 0.275 -1.684 1.00 0.00 C ATOM 87 O TYR A 10 0.488 -0.002 -2.812 1.00 0.00 O ATOM 88 CB TYR A 10 3.397 0.225 -1.671 1.00 0.00 C ATOM 89 CG TYR A 10 4.575 0.174 -0.725 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.405 -0.939 -0.678 1.00 0.00 C ATOM 91 CD2 TYR A 10 4.857 1.238 0.123 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.482 -0.991 0.186 1.00 0.00 C ATOM 93 CE2 TYR A 10 5.933 1.196 0.989 1.00 0.00 C ATOM 94 CZ TYR A 10 6.742 0.079 1.016 1.00 0.00 C ATOM 95 OH TYR A 10 7.814 0.033 1.878 1.00 0.00 O ATOM 0 H TYR A 10 1.727 -2.084 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 10 2.117 -0.287 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.665 -0.280 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.189 1.265 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.205 -1.778 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.224 2.113 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.116 -1.865 0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.139 2.032 1.640 1.00 0.00 H new ATOM 0 HH TYR A 10 8.003 0.934 2.213 1.00 0.00 H new ATOM 105 N VAL A 11 0.307 1.176 -0.904 1.00 0.00 N ATOM 106 CA VAL A 11 -0.877 1.907 -1.338 1.00 0.00 C ATOM 107 C VAL A 11 -0.769 3.386 -0.987 1.00 0.00 C ATOM 108 O VAL A 11 -0.137 3.755 0.003 1.00 0.00 O ATOM 109 CB VAL A 11 -2.157 1.331 -0.702 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.471 -0.040 -1.281 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.013 1.260 0.811 1.00 0.00 C ATOM 0 H VAL A 11 0.631 1.417 0.033 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.937 1.797 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.989 1.996 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.378 -0.431 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.619 0.045 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.641 -0.718 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.926 0.851 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.170 0.618 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.840 2.260 1.207 1.00 0.00 H new ATOM 121 N ILE A 12 -1.391 4.229 -1.805 1.00 0.00 N ATOM 122 CA ILE A 12 -1.366 5.669 -1.580 1.00 0.00 C ATOM 123 C ILE A 12 -2.723 6.174 -1.101 1.00 0.00 C ATOM 124 O ILE A 12 -3.754 5.557 -1.365 1.00 0.00 O ATOM 125 CB ILE A 12 -0.968 6.432 -2.857 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.749 7.914 -2.545 1.00 0.00 C ATOM 127 CG2 ILE A 12 -2.033 6.262 -3.929 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.028 8.648 -3.615 1.00 0.00 C ATOM 0 H ILE A 12 -1.918 3.940 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.619 5.855 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.033 6.018 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.718 8.397 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.219 8.003 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.737 6.807 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.144 5.204 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.983 6.653 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.145 9.693 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.011 8.191 -3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.511 8.590 -4.560 1.00 0.00 H new ATOM 140 N ALA A 13 -2.714 7.302 -0.398 1.00 0.00 N ATOM 141 CA ALA A 13 -3.944 7.893 0.114 1.00 0.00 C ATOM 142 C ALA A 13 -4.703 8.623 -0.989 1.00 0.00 C ATOM 143 O ALA A 13 -4.117 9.382 -1.762 1.00 0.00 O ATOM 144 CB ALA A 13 -3.635 8.842 1.262 1.00 0.00 C ATOM 0 H ALA A 13 -1.868 7.825 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.579 7.088 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.563 9.276 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.143 8.293 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.978 9.637 0.910 1.00 0.00 H new ATOM 150 N LEU A 14 -6.008 8.387 -1.058 1.00 0.00 N ATOM 151 CA LEU A 14 -6.848 9.022 -2.068 1.00 0.00 C ATOM 152 C LEU A 14 -7.494 10.291 -1.520 1.00 0.00 C ATOM 153 O LEU A 14 -7.645 11.281 -2.235 1.00 0.00 O ATOM 154 CB LEU A 14 -7.929 8.051 -2.545 1.00 0.00 C ATOM 155 CG LEU A 14 -7.432 6.784 -3.243 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.558 5.770 -3.372 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.855 7.121 -4.611 1.00 0.00 C ATOM 0 H LEU A 14 -6.508 7.761 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.215 9.294 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.530 7.756 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.591 8.583 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.641 6.343 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.186 4.875 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.926 5.506 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.370 6.201 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.506 6.208 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.625 7.585 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.020 7.811 -4.494 1.00 0.00 H new ATOM 169 N ARG A 15 -7.873 10.253 -0.246 1.00 0.00 N ATOM 170 CA ARG A 15 -8.502 11.399 0.398 1.00 0.00 C ATOM 171 C ARG A 15 -7.851 11.689 1.748 1.00 0.00 C ATOM 172 O ARG A 15 -7.243 10.808 2.357 1.00 0.00 O ATOM 173 CB ARG A 15 -9.999 11.148 0.585 1.00 0.00 C ATOM 174 CG ARG A 15 -10.326 9.746 1.072 1.00 0.00 C ATOM 175 CD ARG A 15 -11.628 9.718 1.856 1.00 0.00 C ATOM 176 NE ARG A 15 -12.790 9.574 0.983 1.00 0.00 N ATOM 177 CZ ARG A 15 -14.022 9.354 1.429 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.251 9.254 2.731 1.00 0.00 N ATOM 179 NH2 ARG A 15 -15.027 9.234 0.571 1.00 0.00 N ATOM 0 H ARG A 15 -7.755 9.441 0.360 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.364 12.267 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.394 11.872 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.509 11.322 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.399 9.071 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.514 9.379 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.605 8.893 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.722 10.636 2.436 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.648 9.646 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.480 9.346 3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.198 9.085 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.854 9.311 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.973 9.065 0.914 1.00 0.00 H new ATOM 193 N SER A 16 -7.983 12.928 2.209 1.00 0.00 N ATOM 194 CA SER A 16 -7.405 13.335 3.484 1.00 0.00 C ATOM 195 C SER A 16 -8.170 12.715 4.650 1.00 0.00 C ATOM 196 O SER A 16 -9.109 13.311 5.178 1.00 0.00 O ATOM 197 CB SER A 16 -7.412 14.860 3.608 1.00 0.00 C ATOM 198 OG SER A 16 -8.730 15.373 3.518 1.00 0.00 O ATOM 0 H SER A 16 -8.485 13.668 1.718 1.00 0.00 H new ATOM 0 HA SER A 16 -6.375 12.980 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.969 15.153 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.795 15.295 2.822 1.00 0.00 H new ATOM 0 HG SER A 16 -9.322 14.859 4.106 1.00 0.00 H new ATOM 204 N TYR A 17 -7.761 11.515 5.046 1.00 0.00 N ATOM 205 CA TYR A 17 -8.408 10.812 6.147 1.00 0.00 C ATOM 206 C TYR A 17 -8.079 11.472 7.483 1.00 0.00 C ATOM 207 O TYR A 17 -7.310 10.935 8.280 1.00 0.00 O ATOM 208 CB TYR A 17 -7.973 9.346 6.169 1.00 0.00 C ATOM 209 CG TYR A 17 -8.966 8.430 6.849 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.240 8.243 6.327 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.630 7.752 8.014 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.150 7.408 6.945 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.534 6.913 8.638 1.00 0.00 C ATOM 214 CZ TYR A 17 -10.792 6.745 8.100 1.00 0.00 C ATOM 215 OH TYR A 17 -11.696 5.912 8.719 1.00 0.00 O ATOM 0 H TYR A 17 -6.984 11.009 4.621 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.486 10.862 5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.820 9.006 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.012 9.268 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.524 8.760 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.646 7.883 8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.137 7.275 6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.256 6.392 9.542 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.286 5.522 9.519 1.00 0.00 H new ATOM 225 N ILE A 18 -8.669 12.639 7.719 1.00 0.00 N ATOM 226 CA ILE A 18 -8.441 13.372 8.958 1.00 0.00 C ATOM 227 C ILE A 18 -9.194 12.734 10.121 1.00 0.00 C ATOM 228 O ILE A 18 -10.425 12.748 10.161 1.00 0.00 O ATOM 229 CB ILE A 18 -8.871 14.845 8.829 1.00 0.00 C ATOM 230 CG1 ILE A 18 -8.068 15.538 7.727 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.694 15.567 10.156 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.640 15.049 7.621 1.00 0.00 C ATOM 0 H ILE A 18 -9.308 13.097 7.069 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.370 13.331 9.156 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.926 14.878 8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.569 15.382 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.063 16.612 7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.002 16.607 10.048 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.306 15.084 10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.646 15.528 10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.131 15.584 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.123 15.229 8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.636 13.981 7.404 1.00 0.00 H new ATOM 244 N THR A 19 -8.447 12.176 11.068 1.00 0.00 N ATOM 245 CA THR A 19 -9.043 11.534 12.233 1.00 0.00 C ATOM 246 C THR A 19 -8.649 12.251 13.519 1.00 0.00 C ATOM 247 O THR A 19 -7.575 12.847 13.604 1.00 0.00 O ATOM 248 CB THR A 19 -8.625 10.055 12.334 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.222 9.960 12.608 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.947 9.312 11.047 1.00 0.00 C ATOM 0 H THR A 19 -7.427 12.156 11.051 1.00 0.00 H new ATOM 0 HA THR A 19 -10.124 11.591 12.106 1.00 0.00 H new ATOM 0 HB THR A 19 -9.186 9.597 13.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.964 9.017 12.672 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.643 8.270 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.019 9.361 10.857 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.410 9.772 10.217 1.00 0.00 H new ATOM 258 N ASP A 20 -9.523 12.190 14.517 1.00 0.00 N ATOM 259 CA ASP A 20 -9.265 12.833 15.800 1.00 0.00 C ATOM 260 C ASP A 20 -9.046 11.793 16.894 1.00 0.00 C ATOM 261 O ASP A 20 -9.179 12.089 18.081 1.00 0.00 O ATOM 262 CB ASP A 20 -10.429 13.751 16.178 1.00 0.00 C ATOM 263 CG ASP A 20 -10.008 14.860 17.122 1.00 0.00 C ATOM 264 OD1 ASP A 20 -8.943 15.468 16.885 1.00 0.00 O ATOM 265 OD2 ASP A 20 -10.743 15.120 18.098 1.00 0.00 O ATOM 0 H ASP A 20 -10.417 11.702 14.462 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.358 13.430 15.704 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.852 14.189 15.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.217 13.160 16.645 1.00 0.00 H new ATOM 270 N ASN A 21 -8.711 10.573 16.486 1.00 0.00 N ATOM 271 CA ASN A 21 -8.475 9.488 17.432 1.00 0.00 C ATOM 272 C ASN A 21 -7.182 8.749 17.101 1.00 0.00 C ATOM 273 O ASN A 21 -6.721 8.764 15.958 1.00 0.00 O ATOM 274 CB ASN A 21 -9.651 8.510 17.422 1.00 0.00 C ATOM 275 CG ASN A 21 -10.779 8.954 18.334 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.602 9.073 19.547 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.947 9.200 17.753 1.00 0.00 N ATOM 0 H ASN A 21 -8.597 10.311 15.507 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.380 9.922 18.427 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.028 8.410 16.404 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.303 7.524 17.732 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.743 9.501 18.315 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.048 9.088 16.744 1.00 0.00 H new ATOM 284 N CYS A 22 -6.602 8.104 18.106 1.00 0.00 N ATOM 285 CA CYS A 22 -5.361 7.359 17.922 1.00 0.00 C ATOM 286 C CYS A 22 -5.623 6.035 17.211 1.00 0.00 C ATOM 287 O CYS A 22 -4.937 5.690 16.249 1.00 0.00 O ATOM 288 CB CYS A 22 -4.691 7.102 19.273 1.00 0.00 C ATOM 289 SG CYS A 22 -4.129 8.600 20.115 1.00 0.00 S ATOM 0 H CYS A 22 -6.970 8.081 19.057 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.694 7.958 17.302 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.393 6.576 19.920 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.838 6.440 19.123 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.579 8.280 21.248 1.00 0.00 H new ATOM 295 N SER A 23 -6.618 5.297 17.691 1.00 0.00 N ATOM 296 CA SER A 23 -6.967 4.009 17.105 1.00 0.00 C ATOM 297 C SER A 23 -6.910 4.072 15.581 1.00 0.00 C ATOM 298 O SER A 23 -6.458 3.133 14.925 1.00 0.00 O ATOM 299 CB SER A 23 -8.364 3.580 17.557 1.00 0.00 C ATOM 300 OG SER A 23 -8.470 3.595 18.970 1.00 0.00 O ATOM 0 H SER A 23 -7.197 5.569 18.485 1.00 0.00 H new ATOM 0 HA SER A 23 -6.240 3.273 17.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.110 4.248 17.126 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.579 2.579 17.184 1.00 0.00 H new ATOM 0 HG SER A 23 -9.373 3.319 19.233 1.00 0.00 H new ATOM 306 N LEU A 24 -7.372 5.186 15.025 1.00 0.00 N ATOM 307 CA LEU A 24 -7.375 5.375 13.578 1.00 0.00 C ATOM 308 C LEU A 24 -6.073 6.016 13.110 1.00 0.00 C ATOM 309 O LEU A 24 -5.248 6.437 13.922 1.00 0.00 O ATOM 310 CB LEU A 24 -8.563 6.242 13.159 1.00 0.00 C ATOM 311 CG LEU A 24 -9.942 5.748 13.598 1.00 0.00 C ATOM 312 CD1 LEU A 24 -11.016 6.757 13.221 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.244 4.390 12.979 1.00 0.00 C ATOM 0 H LEU A 24 -7.749 5.972 15.554 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.465 4.395 13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.414 7.245 13.559 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.559 6.328 12.072 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.939 5.639 14.683 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.990 6.388 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.809 7.709 13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.019 6.898 12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.229 4.054 13.302 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.228 4.474 11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.492 3.669 13.299 1.00 0.00 H new ATOM 325 N LEU A 25 -5.894 6.089 11.795 1.00 0.00 N ATOM 326 CA LEU A 25 -4.693 6.682 11.218 1.00 0.00 C ATOM 327 C LEU A 25 -5.001 8.039 10.594 1.00 0.00 C ATOM 328 O LEU A 25 -6.051 8.226 9.978 1.00 0.00 O ATOM 329 CB LEU A 25 -4.095 5.747 10.165 1.00 0.00 C ATOM 330 CG LEU A 25 -2.760 6.184 9.561 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.726 6.403 10.654 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.266 5.152 8.556 1.00 0.00 C ATOM 0 H LEU A 25 -6.566 5.745 11.109 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.969 6.828 12.019 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.963 4.763 10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.817 5.634 9.356 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.911 7.128 9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.782 6.714 10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.076 7.178 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.577 5.475 11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.315 5.479 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.131 4.193 9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.998 5.044 7.756 1.00 0.00 H new ATOM 344 N SER A 26 -4.079 8.982 10.755 1.00 0.00 N ATOM 345 CA SER A 26 -4.253 10.323 10.209 1.00 0.00 C ATOM 346 C SER A 26 -3.207 10.612 9.136 1.00 0.00 C ATOM 347 O SER A 26 -2.030 10.811 9.438 1.00 0.00 O ATOM 348 CB SER A 26 -4.160 11.367 11.323 1.00 0.00 C ATOM 349 OG SER A 26 -2.898 11.315 11.966 1.00 0.00 O ATOM 0 H SER A 26 -3.203 8.842 11.259 1.00 0.00 H new ATOM 0 HA SER A 26 -5.241 10.377 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.319 12.362 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.951 11.196 12.053 1.00 0.00 H new ATOM 0 HG SER A 26 -2.223 10.985 11.336 1.00 0.00 H new ATOM 355 N PHE A 27 -3.645 10.634 7.882 1.00 0.00 N ATOM 356 CA PHE A 27 -2.748 10.898 6.763 1.00 0.00 C ATOM 357 C PHE A 27 -3.413 11.811 5.736 1.00 0.00 C ATOM 358 O PHE A 27 -4.621 12.044 5.787 1.00 0.00 O ATOM 359 CB PHE A 27 -2.327 9.586 6.099 1.00 0.00 C ATOM 360 CG PHE A 27 -3.472 8.828 5.489 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.155 9.340 4.398 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.863 7.604 6.007 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.210 8.646 3.836 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.917 6.905 5.448 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.590 7.426 4.361 1.00 0.00 C ATOM 0 H PHE A 27 -4.616 10.472 7.615 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.862 11.401 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.590 9.800 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.837 8.954 6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.860 10.292 3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.339 7.191 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.737 9.057 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.213 5.952 5.861 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.412 6.881 3.922 1.00 0.00 H new ATOM 375 N HIS A 28 -2.615 12.324 4.806 1.00 0.00 N ATOM 376 CA HIS A 28 -3.125 13.211 3.766 1.00 0.00 C ATOM 377 C HIS A 28 -3.033 12.550 2.394 1.00 0.00 C ATOM 378 O HIS A 28 -2.164 11.711 2.156 1.00 0.00 O ATOM 379 CB HIS A 28 -2.348 14.528 3.763 1.00 0.00 C ATOM 380 CG HIS A 28 -2.785 15.483 4.832 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.115 16.797 4.577 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.946 15.308 6.164 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.459 17.390 5.706 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.365 16.507 6.685 1.00 0.00 N ATOM 0 H HIS A 28 -1.613 12.141 4.751 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.174 13.417 3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.287 14.315 3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.463 15.006 2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.776 14.395 6.715 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.765 18.420 5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.570 16.687 7.668 1.00 0.00 H new ATOM 393 N ARG A 29 -3.934 12.933 1.496 1.00 0.00 N ATOM 394 CA ARG A 29 -3.956 12.376 0.149 1.00 0.00 C ATOM 395 C ARG A 29 -2.566 12.417 -0.478 1.00 0.00 C ATOM 396 O ARG A 29 -1.916 13.461 -0.506 1.00 0.00 O ATOM 397 CB ARG A 29 -4.946 13.145 -0.728 1.00 0.00 C ATOM 398 CG ARG A 29 -4.439 14.509 -1.166 1.00 0.00 C ATOM 399 CD ARG A 29 -5.459 15.229 -2.034 1.00 0.00 C ATOM 400 NE ARG A 29 -5.150 16.650 -2.178 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.413 17.556 -1.243 1.00 0.00 C ATOM 402 NH1 ARG A 29 -5.985 17.193 -0.104 1.00 0.00 N ATOM 403 NH2 ARG A 29 -5.102 18.830 -1.447 1.00 0.00 N ATOM 0 H ARG A 29 -4.659 13.627 1.677 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.275 11.336 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.173 12.550 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.880 13.272 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.215 15.114 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.507 14.392 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.490 14.763 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.451 15.116 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.709 16.963 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.225 16.215 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.185 17.892 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.661 19.114 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.304 19.526 -0.729 1.00 0.00 H new ATOM 417 N GLY A 30 -2.114 11.271 -0.981 1.00 0.00 N ATOM 418 CA GLY A 30 -0.804 11.198 -1.600 1.00 0.00 C ATOM 419 C GLY A 30 0.224 10.536 -0.704 1.00 0.00 C ATOM 420 O GLY A 30 1.267 10.082 -1.175 1.00 0.00 O ATOM 0 H GLY A 30 -2.632 10.393 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.878 10.643 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.468 12.204 -1.852 1.00 0.00 H new ATOM 424 N ASP A 31 -0.068 10.484 0.590 1.00 0.00 N ATOM 425 CA ASP A 31 0.840 9.873 1.555 1.00 0.00 C ATOM 426 C ASP A 31 0.908 8.362 1.357 1.00 0.00 C ATOM 427 O ASP A 31 -0.106 7.668 1.447 1.00 0.00 O ATOM 428 CB ASP A 31 0.393 10.194 2.982 1.00 0.00 C ATOM 429 CG ASP A 31 0.818 11.580 3.425 1.00 0.00 C ATOM 430 OD1 ASP A 31 1.771 12.126 2.831 1.00 0.00 O ATOM 431 OD2 ASP A 31 0.198 12.119 4.366 1.00 0.00 O ATOM 0 H ASP A 31 -0.926 10.857 0.996 1.00 0.00 H new ATOM 0 HA ASP A 31 1.835 10.287 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.692 10.112 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.810 9.454 3.665 1.00 0.00 H new ATOM 436 N LEU A 32 2.107 7.859 1.086 1.00 0.00 N ATOM 437 CA LEU A 32 2.307 6.430 0.874 1.00 0.00 C ATOM 438 C LEU A 32 2.219 5.666 2.191 1.00 0.00 C ATOM 439 O LEU A 32 3.084 5.803 3.058 1.00 0.00 O ATOM 440 CB LEU A 32 3.664 6.178 0.214 1.00 0.00 C ATOM 441 CG LEU A 32 4.031 4.713 -0.027 1.00 0.00 C ATOM 442 CD1 LEU A 32 3.472 4.235 -1.358 1.00 0.00 C ATOM 443 CD2 LEU A 32 5.541 4.527 0.018 1.00 0.00 C ATOM 0 H LEU A 32 2.956 8.420 1.008 1.00 0.00 H new ATOM 0 HA LEU A 32 1.517 6.071 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.682 6.699 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.438 6.628 0.836 1.00 0.00 H new ATOM 0 HG LEU A 32 3.588 4.112 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.743 3.191 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.386 4.331 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.885 4.840 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.784 3.479 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.006 5.140 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.916 4.829 0.996 1.00 0.00 H new ATOM 455 N ILE A 33 1.171 4.862 2.334 1.00 0.00 N ATOM 456 CA ILE A 33 0.973 4.074 3.544 1.00 0.00 C ATOM 457 C ILE A 33 1.686 2.730 3.448 1.00 0.00 C ATOM 458 O ILE A 33 1.350 1.895 2.608 1.00 0.00 O ATOM 459 CB ILE A 33 -0.523 3.831 3.818 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.259 5.164 3.972 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.701 2.975 5.063 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.719 5.096 3.581 1.00 0.00 C ATOM 0 H ILE A 33 0.446 4.739 1.627 1.00 0.00 H new ATOM 0 HA ILE A 33 1.397 4.648 4.368 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.951 3.297 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.184 5.494 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.762 5.917 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.764 2.812 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.206 2.015 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.261 3.484 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.178 6.076 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.802 4.796 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.230 4.367 4.209 1.00 0.00 H new ATOM 474 N LYS A 34 2.672 2.526 4.315 1.00 0.00 N ATOM 475 CA LYS A 34 3.432 1.282 4.331 1.00 0.00 C ATOM 476 C LYS A 34 2.643 0.172 5.018 1.00 0.00 C ATOM 477 O LYS A 34 2.223 0.314 6.167 1.00 0.00 O ATOM 478 CB LYS A 34 4.770 1.487 5.045 1.00 0.00 C ATOM 479 CG LYS A 34 5.617 0.228 5.124 1.00 0.00 C ATOM 480 CD LYS A 34 7.101 0.554 5.142 1.00 0.00 C ATOM 481 CE LYS A 34 7.492 1.305 6.405 1.00 0.00 C ATOM 482 NZ LYS A 34 8.961 1.533 6.482 1.00 0.00 N ATOM 0 H LYS A 34 2.964 3.207 5.016 1.00 0.00 H new ATOM 0 HA LYS A 34 3.619 0.986 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.334 2.262 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.581 1.852 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.356 -0.332 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.395 -0.415 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.678 -0.368 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.353 1.154 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.974 2.264 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.166 0.741 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.187 2.048 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.455 0.618 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.269 2.093 5.662 1.00 0.00 H new ATOM 496 N LEU A 35 2.447 -0.934 4.308 1.00 0.00 N ATOM 497 CA LEU A 35 1.709 -2.070 4.849 1.00 0.00 C ATOM 498 C LEU A 35 2.543 -2.815 5.887 1.00 0.00 C ATOM 499 O LEU A 35 3.541 -3.456 5.553 1.00 0.00 O ATOM 500 CB LEU A 35 1.303 -3.023 3.724 1.00 0.00 C ATOM 501 CG LEU A 35 0.298 -2.476 2.711 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.126 -3.565 1.737 1.00 0.00 C ATOM 503 CD2 LEU A 35 -0.915 -1.894 3.423 1.00 0.00 C ATOM 0 H LEU A 35 2.789 -1.068 3.356 1.00 0.00 H new ATOM 0 HA LEU A 35 0.811 -1.690 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.203 -3.323 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.883 -3.924 4.172 1.00 0.00 H new ATOM 0 HG LEU A 35 0.780 -1.679 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.842 -3.157 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.749 -3.935 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.589 -4.385 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.620 -1.509 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.397 -2.672 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.598 -1.083 4.079 1.00 0.00 H new ATOM 515 N LEU A 36 2.126 -2.730 7.145 1.00 0.00 N ATOM 516 CA LEU A 36 2.832 -3.398 8.232 1.00 0.00 C ATOM 517 C LEU A 36 2.348 -4.836 8.394 1.00 0.00 C ATOM 518 O LEU A 36 1.218 -5.179 8.048 1.00 0.00 O ATOM 519 CB LEU A 36 2.636 -2.632 9.542 1.00 0.00 C ATOM 520 CG LEU A 36 3.325 -1.269 9.631 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.984 -0.585 10.946 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.831 -1.422 9.483 1.00 0.00 C ATOM 0 H LEU A 36 1.302 -2.205 7.438 1.00 0.00 H new ATOM 0 HA LEU A 36 3.893 -3.417 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.567 -2.488 9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.997 -3.254 10.361 1.00 0.00 H new ATOM 0 HG LEU A 36 2.962 -0.645 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.483 0.383 10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.906 -0.441 11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.319 -1.206 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.304 -0.442 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.211 -2.063 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.058 -1.870 8.516 1.00 0.00 H new ATOM 534 N PRO A 37 3.222 -5.698 8.934 1.00 0.00 N ATOM 535 CA PRO A 37 2.905 -7.111 9.157 1.00 0.00 C ATOM 536 C PRO A 37 1.877 -7.307 10.266 1.00 0.00 C ATOM 537 O PRO A 37 2.179 -7.128 11.445 1.00 0.00 O ATOM 538 CB PRO A 37 4.251 -7.717 9.563 1.00 0.00 C ATOM 539 CG PRO A 37 5.022 -6.578 10.135 1.00 0.00 C ATOM 540 CD PRO A 37 4.587 -5.358 9.370 1.00 0.00 C ATOM 0 HA PRO A 37 2.462 -7.573 8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.122 -8.515 10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.764 -8.152 8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.818 -6.464 11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.095 -6.742 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.598 -4.466 9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.242 -5.161 8.522 1.00 0.00 H new ATOM 548 N VAL A 38 0.660 -7.677 9.879 1.00 0.00 N ATOM 549 CA VAL A 38 -0.413 -7.898 10.841 1.00 0.00 C ATOM 550 C VAL A 38 -0.968 -9.314 10.728 1.00 0.00 C ATOM 551 O VAL A 38 -1.149 -9.835 9.628 1.00 0.00 O ATOM 552 CB VAL A 38 -1.562 -6.891 10.643 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.897 -6.747 9.166 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.787 -7.318 11.437 1.00 0.00 C ATOM 0 H VAL A 38 0.393 -7.830 8.907 1.00 0.00 H new ATOM 0 HA VAL A 38 0.017 -7.756 11.833 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.238 -5.919 11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.711 -6.032 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.019 -6.392 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.202 -7.714 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.589 -6.595 11.286 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.115 -8.301 11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.536 -7.364 12.497 1.00 0.00 H new ATOM 564 N ALA A 39 -1.238 -9.931 11.874 1.00 0.00 N ATOM 565 CA ALA A 39 -1.775 -11.285 11.904 1.00 0.00 C ATOM 566 C ALA A 39 -3.046 -11.391 11.067 1.00 0.00 C ATOM 567 O ALA A 39 -3.146 -12.232 10.174 1.00 0.00 O ATOM 568 CB ALA A 39 -2.049 -11.713 13.338 1.00 0.00 C ATOM 0 H ALA A 39 -1.093 -9.514 12.794 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.030 -11.954 11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.450 -12.727 13.345 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.121 -11.686 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.773 -11.034 13.789 1.00 0.00 H new ATOM 574 N THR A 40 -4.017 -10.532 11.363 1.00 0.00 N ATOM 575 CA THR A 40 -5.282 -10.530 10.639 1.00 0.00 C ATOM 576 C THR A 40 -5.927 -9.149 10.664 1.00 0.00 C ATOM 577 O THR A 40 -5.590 -8.310 11.501 1.00 0.00 O ATOM 578 CB THR A 40 -6.268 -11.555 11.229 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.346 -11.781 10.313 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.821 -11.071 12.561 1.00 0.00 C ATOM 0 H THR A 40 -3.951 -9.829 12.099 1.00 0.00 H new ATOM 0 HA THR A 40 -5.057 -10.805 9.608 1.00 0.00 H new ATOM 0 HB THR A 40 -5.730 -12.489 11.395 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.968 -12.435 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.515 -11.812 12.958 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.001 -10.928 13.265 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.344 -10.126 12.416 1.00 0.00 H new ATOM 588 N LEU A 41 -6.856 -8.919 9.743 1.00 0.00 N ATOM 589 CA LEU A 41 -7.550 -7.638 9.660 1.00 0.00 C ATOM 590 C LEU A 41 -8.956 -7.816 9.095 1.00 0.00 C ATOM 591 O LEU A 41 -9.369 -8.930 8.773 1.00 0.00 O ATOM 592 CB LEU A 41 -6.758 -6.662 8.788 1.00 0.00 C ATOM 593 CG LEU A 41 -5.705 -5.821 9.510 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.850 -5.062 8.507 1.00 0.00 C ATOM 595 CD2 LEU A 41 -6.367 -4.859 10.486 1.00 0.00 C ATOM 0 H LEU A 41 -7.146 -9.602 9.043 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.632 -7.231 10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.263 -7.229 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.462 -5.987 8.301 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.057 -6.491 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.106 -4.469 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.347 -5.770 7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.484 -4.403 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.602 -4.269 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.038 -4.194 9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.935 -5.424 11.225 1.00 0.00 H new ATOM 607 N GLU A 42 -9.685 -6.711 8.977 1.00 0.00 N ATOM 608 CA GLU A 42 -11.044 -6.747 8.449 1.00 0.00 C ATOM 609 C GLU A 42 -11.052 -6.479 6.947 1.00 0.00 C ATOM 610 O GLU A 42 -10.115 -5.908 6.388 1.00 0.00 O ATOM 611 CB GLU A 42 -11.920 -5.717 9.166 1.00 0.00 C ATOM 612 CG GLU A 42 -12.608 -6.262 10.407 1.00 0.00 C ATOM 613 CD GLU A 42 -13.569 -5.265 11.026 1.00 0.00 C ATOM 614 OE1 GLU A 42 -14.666 -5.068 10.463 1.00 0.00 O ATOM 615 OE2 GLU A 42 -13.223 -4.682 12.075 1.00 0.00 O ATOM 0 H GLU A 42 -9.358 -5.781 9.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.448 -7.744 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.305 -4.862 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.677 -5.350 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.151 -7.171 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.854 -6.540 11.144 1.00 0.00 H new ATOM 622 N PRO A 43 -12.134 -6.902 6.277 1.00 0.00 N ATOM 623 CA PRO A 43 -12.291 -6.719 4.831 1.00 0.00 C ATOM 624 C PRO A 43 -12.505 -5.258 4.451 1.00 0.00 C ATOM 625 O PRO A 43 -12.649 -4.927 3.274 1.00 0.00 O ATOM 626 CB PRO A 43 -13.536 -7.546 4.502 1.00 0.00 C ATOM 627 CG PRO A 43 -14.309 -7.589 5.775 1.00 0.00 C ATOM 628 CD PRO A 43 -13.288 -7.590 6.879 1.00 0.00 C ATOM 0 HA PRO A 43 -11.401 -7.027 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.116 -7.087 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.269 -8.548 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.973 -6.728 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.935 -8.480 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.652 -7.066 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.034 -8.603 7.191 1.00 0.00 H new ATOM 636 N GLY A 44 -12.526 -4.387 5.455 1.00 0.00 N ATOM 637 CA GLY A 44 -12.723 -2.971 5.205 1.00 0.00 C ATOM 638 C GLY A 44 -11.794 -2.102 6.029 1.00 0.00 C ATOM 639 O GLY A 44 -12.049 -0.912 6.216 1.00 0.00 O ATOM 0 H GLY A 44 -12.410 -4.637 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.563 -2.766 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.756 -2.706 5.428 1.00 0.00 H new ATOM 643 N TRP A 45 -10.714 -2.696 6.524 1.00 0.00 N ATOM 644 CA TRP A 45 -9.745 -1.968 7.334 1.00 0.00 C ATOM 645 C TRP A 45 -8.319 -2.307 6.913 1.00 0.00 C ATOM 646 O TRP A 45 -8.084 -3.311 6.242 1.00 0.00 O ATOM 647 CB TRP A 45 -9.942 -2.291 8.816 1.00 0.00 C ATOM 648 CG TRP A 45 -11.178 -1.674 9.399 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.409 -2.253 9.510 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.300 -0.358 9.949 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.290 -1.377 10.095 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.634 -0.207 10.375 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.413 0.707 10.125 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.099 0.966 10.964 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.876 1.871 10.709 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.209 1.992 11.124 1.00 0.00 C ATOM 0 H TRP A 45 -10.488 -3.680 6.378 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.907 -0.902 7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.991 -3.373 8.941 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.073 -1.944 9.375 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.654 -3.253 9.185 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.273 -1.567 10.290 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.383 0.622 9.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.126 1.062 11.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.199 2.701 10.848 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.540 2.914 11.579 1.00 0.00 H new ATOM 667 N GLN A 46 -7.372 -1.463 7.312 1.00 0.00 N ATOM 668 CA GLN A 46 -5.970 -1.675 6.974 1.00 0.00 C ATOM 669 C GLN A 46 -5.063 -1.257 8.127 1.00 0.00 C ATOM 670 O GLN A 46 -5.419 -0.393 8.929 1.00 0.00 O ATOM 671 CB GLN A 46 -5.603 -0.892 5.712 1.00 0.00 C ATOM 672 CG GLN A 46 -6.026 -1.581 4.425 1.00 0.00 C ATOM 673 CD GLN A 46 -5.416 -2.961 4.274 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.891 -3.930 4.867 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.359 -3.057 3.477 1.00 0.00 N ATOM 0 H GLN A 46 -7.550 -0.627 7.869 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.825 -2.739 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.068 0.093 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.525 -0.735 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.113 -1.664 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.735 -0.964 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.999 -2.227 3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.907 -3.960 3.336 1.00 0.00 H new ATOM 684 N PHE A 47 -3.890 -1.876 8.205 1.00 0.00 N ATOM 685 CA PHE A 47 -2.933 -1.569 9.262 1.00 0.00 C ATOM 686 C PHE A 47 -1.553 -1.279 8.678 1.00 0.00 C ATOM 687 O PHE A 47 -0.911 -2.159 8.107 1.00 0.00 O ATOM 688 CB PHE A 47 -2.845 -2.731 10.253 1.00 0.00 C ATOM 689 CG PHE A 47 -2.049 -2.409 11.486 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.552 -1.545 12.444 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.799 -2.971 11.686 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.822 -1.246 13.579 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.064 -2.677 12.819 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.577 -1.813 13.767 1.00 0.00 C ATOM 0 H PHE A 47 -3.579 -2.593 7.549 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.282 -0.679 9.786 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.853 -3.024 10.547 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.396 -3.590 9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.526 -1.100 12.303 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.394 -3.647 10.948 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.225 -0.570 14.318 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.910 -3.122 12.963 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.005 -1.581 14.654 1.00 0.00 H new ATOM 704 N GLY A 48 -1.104 -0.036 8.825 1.00 0.00 N ATOM 705 CA GLY A 48 0.196 0.349 8.307 1.00 0.00 C ATOM 706 C GLY A 48 0.710 1.633 8.928 1.00 0.00 C ATOM 707 O GLY A 48 0.030 2.250 9.748 1.00 0.00 O ATOM 0 H GLY A 48 -1.617 0.711 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.910 -0.453 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.131 0.472 7.226 1.00 0.00 H new ATOM 711 N SER A 49 1.915 2.036 8.538 1.00 0.00 N ATOM 712 CA SER A 49 2.523 3.252 9.066 1.00 0.00 C ATOM 713 C SER A 49 2.619 4.324 7.986 1.00 0.00 C ATOM 714 O SER A 49 2.927 4.032 6.831 1.00 0.00 O ATOM 715 CB SER A 49 3.914 2.950 9.627 1.00 0.00 C ATOM 716 OG SER A 49 4.750 2.377 8.636 1.00 0.00 O ATOM 0 H SER A 49 2.490 1.538 7.858 1.00 0.00 H new ATOM 0 HA SER A 49 1.889 3.627 9.870 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.366 3.868 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.828 2.269 10.473 1.00 0.00 H new ATOM 0 HG SER A 49 5.634 2.195 9.019 1.00 0.00 H new ATOM 722 N ALA A 50 2.354 5.569 8.371 1.00 0.00 N ATOM 723 CA ALA A 50 2.413 6.686 7.437 1.00 0.00 C ATOM 724 C ALA A 50 2.828 7.971 8.144 1.00 0.00 C ATOM 725 O ALA A 50 2.201 8.386 9.118 1.00 0.00 O ATOM 726 CB ALA A 50 1.068 6.871 6.750 1.00 0.00 C ATOM 0 H ALA A 50 2.097 5.828 9.323 1.00 0.00 H new ATOM 0 HA ALA A 50 3.166 6.457 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.127 7.709 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.811 5.964 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.302 7.073 7.498 1.00 0.00 H new ATOM 732 N GLY A 51 3.891 8.598 7.648 1.00 0.00 N ATOM 733 CA GLY A 51 4.373 9.829 8.245 1.00 0.00 C ATOM 734 C GLY A 51 4.792 9.647 9.690 1.00 0.00 C ATOM 735 O GLY A 51 4.486 10.479 10.543 1.00 0.00 O ATOM 0 H GLY A 51 4.427 8.274 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.220 10.202 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.591 10.587 8.189 1.00 0.00 H new ATOM 739 N GLY A 52 5.495 8.553 9.967 1.00 0.00 N ATOM 740 CA GLY A 52 5.945 8.282 11.321 1.00 0.00 C ATOM 741 C GLY A 52 4.793 8.075 12.284 1.00 0.00 C ATOM 742 O GLY A 52 4.943 8.263 13.491 1.00 0.00 O ATOM 0 H GLY A 52 5.761 7.849 9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.577 7.394 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.561 9.111 11.669 1.00 0.00 H new ATOM 746 N ARG A 53 3.639 7.689 11.749 1.00 0.00 N ATOM 747 CA ARG A 53 2.456 7.459 12.569 1.00 0.00 C ATOM 748 C ARG A 53 1.864 6.080 12.295 1.00 0.00 C ATOM 749 O ARG A 53 2.122 5.478 11.252 1.00 0.00 O ATOM 750 CB ARG A 53 1.406 8.539 12.302 1.00 0.00 C ATOM 751 CG ARG A 53 1.610 9.803 13.121 1.00 0.00 C ATOM 752 CD ARG A 53 1.033 11.022 12.418 1.00 0.00 C ATOM 753 NE ARG A 53 0.707 12.092 13.357 1.00 0.00 N ATOM 754 CZ ARG A 53 0.357 13.317 12.983 1.00 0.00 C ATOM 755 NH1 ARG A 53 0.287 13.625 11.695 1.00 0.00 N ATOM 756 NH2 ARG A 53 0.074 14.236 13.897 1.00 0.00 N ATOM 0 H ARG A 53 3.498 7.529 10.751 1.00 0.00 H new ATOM 0 HA ARG A 53 2.756 7.505 13.616 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.423 8.796 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.417 8.133 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.137 9.686 14.096 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.675 9.954 13.299 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.750 11.390 11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.135 10.734 11.871 1.00 0.00 H new ATOM 0 HE ARG A 53 0.751 11.887 14.355 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.502 12.920 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.018 14.567 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.125 14.002 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.195 15.177 13.608 1.00 0.00 H new ATOM 770 N SER A 54 1.068 5.585 13.238 1.00 0.00 N ATOM 771 CA SER A 54 0.442 4.275 13.100 1.00 0.00 C ATOM 772 C SER A 54 -1.034 4.335 13.477 1.00 0.00 C ATOM 773 O SER A 54 -1.428 5.085 14.370 1.00 0.00 O ATOM 774 CB SER A 54 1.163 3.247 13.975 1.00 0.00 C ATOM 775 OG SER A 54 2.475 3.002 13.499 1.00 0.00 O ATOM 0 H SER A 54 0.842 6.071 14.106 1.00 0.00 H new ATOM 0 HA SER A 54 0.519 3.971 12.056 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.207 3.607 15.003 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.598 2.315 13.988 1.00 0.00 H new ATOM 0 HG SER A 54 2.915 2.343 14.076 1.00 0.00 H new ATOM 781 N GLY A 55 -1.848 3.540 12.790 1.00 0.00 N ATOM 782 CA GLY A 55 -3.272 3.517 13.067 1.00 0.00 C ATOM 783 C GLY A 55 -4.042 2.661 12.080 1.00 0.00 C ATOM 784 O GLY A 55 -3.449 2.008 11.220 1.00 0.00 O ATOM 0 H GLY A 55 -1.546 2.911 12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.436 3.139 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.661 4.535 13.040 1.00 0.00 H new ATOM 788 N LEU A 56 -5.364 2.661 12.205 1.00 0.00 N ATOM 789 CA LEU A 56 -6.216 1.877 11.318 1.00 0.00 C ATOM 790 C LEU A 56 -6.909 2.773 10.296 1.00 0.00 C ATOM 791 O LEU A 56 -7.322 3.889 10.612 1.00 0.00 O ATOM 792 CB LEU A 56 -7.260 1.107 12.130 1.00 0.00 C ATOM 793 CG LEU A 56 -6.794 -0.215 12.740 1.00 0.00 C ATOM 794 CD1 LEU A 56 -6.576 -1.257 11.654 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.521 -0.010 13.548 1.00 0.00 C ATOM 0 H LEU A 56 -5.869 3.195 12.912 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.585 1.167 10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.612 1.751 12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.116 0.905 11.486 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.573 -0.577 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.245 -2.191 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.510 -1.425 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.817 -0.903 10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.204 -0.961 13.975 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.736 0.376 12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.710 0.703 14.351 1.00 0.00 H new ATOM 807 N PHE A 57 -7.036 2.275 9.070 1.00 0.00 N ATOM 808 CA PHE A 57 -7.681 3.030 8.002 1.00 0.00 C ATOM 809 C PHE A 57 -8.386 2.094 7.024 1.00 0.00 C ATOM 810 O PHE A 57 -7.973 0.954 6.809 1.00 0.00 O ATOM 811 CB PHE A 57 -6.651 3.882 7.258 1.00 0.00 C ATOM 812 CG PHE A 57 -5.635 3.072 6.505 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.682 2.328 7.183 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.632 3.055 5.120 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.745 1.583 6.493 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.697 2.311 4.424 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.753 1.573 5.111 1.00 0.00 C ATOM 0 H PHE A 57 -6.701 1.353 8.792 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.427 3.685 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.170 4.538 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.135 4.522 7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.672 2.331 8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.368 3.629 4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.007 1.009 7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.705 2.307 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.023 0.990 4.570 1.00 0.00 H new ATOM 827 N PRO A 58 -9.476 2.586 6.417 1.00 0.00 N ATOM 828 CA PRO A 58 -10.262 1.811 5.452 1.00 0.00 C ATOM 829 C PRO A 58 -9.515 1.587 4.143 1.00 0.00 C ATOM 830 O PRO A 58 -8.878 2.499 3.616 1.00 0.00 O ATOM 831 CB PRO A 58 -11.498 2.684 5.220 1.00 0.00 C ATOM 832 CG PRO A 58 -11.048 4.069 5.531 1.00 0.00 C ATOM 833 CD PRO A 58 -10.026 3.936 6.626 1.00 0.00 C ATOM 0 HA PRO A 58 -10.492 0.812 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.852 2.604 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.323 2.382 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.617 4.546 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.885 4.689 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.253 4.701 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.478 4.037 7.612 1.00 0.00 H new ATOM 841 N ALA A 59 -9.596 0.367 3.622 1.00 0.00 N ATOM 842 CA ALA A 59 -8.929 0.024 2.372 1.00 0.00 C ATOM 843 C ALA A 59 -9.785 0.407 1.169 1.00 0.00 C ATOM 844 O ALA A 59 -9.634 -0.154 0.084 1.00 0.00 O ATOM 845 CB ALA A 59 -8.604 -1.462 2.338 1.00 0.00 C ATOM 0 H ALA A 59 -10.117 -0.400 4.046 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.999 0.590 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.106 -1.704 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.947 -1.710 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.526 -2.038 2.419 1.00 0.00 H new ATOM 851 N ASP A 60 -10.683 1.365 1.370 1.00 0.00 N ATOM 852 CA ASP A 60 -11.563 1.824 0.301 1.00 0.00 C ATOM 853 C ASP A 60 -11.164 3.219 -0.170 1.00 0.00 C ATOM 854 O ASP A 60 -11.511 3.633 -1.276 1.00 0.00 O ATOM 855 CB ASP A 60 -13.017 1.829 0.776 1.00 0.00 C ATOM 856 CG ASP A 60 -13.987 2.191 -0.332 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.735 1.802 -1.492 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.998 2.862 -0.039 1.00 0.00 O ATOM 0 H ASP A 60 -10.821 1.839 2.263 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.465 1.135 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.271 0.845 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.126 2.538 1.596 1.00 0.00 H new ATOM 863 N ILE A 61 -10.435 3.938 0.676 1.00 0.00 N ATOM 864 CA ILE A 61 -9.989 5.285 0.346 1.00 0.00 C ATOM 865 C ILE A 61 -8.519 5.294 -0.060 1.00 0.00 C ATOM 866 O ILE A 61 -7.862 6.335 -0.030 1.00 0.00 O ATOM 867 CB ILE A 61 -10.189 6.251 1.529 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.164 5.965 2.628 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.605 6.133 2.075 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.272 6.898 3.813 1.00 0.00 C ATOM 0 H ILE A 61 -10.141 3.610 1.596 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.598 5.621 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.040 7.271 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.289 4.938 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.161 6.040 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.731 6.822 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.319 6.380 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.780 5.113 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.515 6.636 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.117 7.925 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.262 6.806 4.259 1.00 0.00 H new ATOM 882 N VAL A 62 -8.009 4.127 -0.441 1.00 0.00 N ATOM 883 CA VAL A 62 -6.617 4.001 -0.856 1.00 0.00 C ATOM 884 C VAL A 62 -6.494 3.146 -2.113 1.00 0.00 C ATOM 885 O VAL A 62 -7.328 2.279 -2.368 1.00 0.00 O ATOM 886 CB VAL A 62 -5.753 3.382 0.259 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.664 4.324 1.450 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.312 2.030 0.677 1.00 0.00 C ATOM 0 H VAL A 62 -8.539 3.256 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.257 5.008 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.746 3.228 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.050 3.870 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.214 5.266 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.664 4.512 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.690 1.607 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.330 2.156 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.318 1.358 -0.181 1.00 0.00 H new ATOM 898 N GLN A 63 -5.448 3.398 -2.893 1.00 0.00 N ATOM 899 CA GLN A 63 -5.216 2.652 -4.123 1.00 0.00 C ATOM 900 C GLN A 63 -3.756 2.226 -4.235 1.00 0.00 C ATOM 901 O GLN A 63 -2.850 2.887 -3.725 1.00 0.00 O ATOM 902 CB GLN A 63 -5.607 3.495 -5.338 1.00 0.00 C ATOM 903 CG GLN A 63 -4.636 4.627 -5.631 1.00 0.00 C ATOM 904 CD GLN A 63 -4.691 5.083 -7.076 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.728 5.540 -7.556 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.570 4.962 -7.777 1.00 0.00 N ATOM 0 H GLN A 63 -4.748 4.113 -2.695 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.836 1.756 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.672 2.848 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.601 3.913 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.860 5.471 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.623 4.302 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.733 4.578 -7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.546 5.254 -8.754 1.00 0.00 H new ATOM 915 N PRO A 64 -3.519 1.095 -4.916 1.00 0.00 N ATOM 916 CA PRO A 64 -2.170 0.556 -5.110 1.00 0.00 C ATOM 917 C PRO A 64 -1.332 1.414 -6.052 1.00 0.00 C ATOM 918 O PRO A 64 -1.843 1.958 -7.030 1.00 0.00 O ATOM 919 CB PRO A 64 -2.424 -0.822 -5.727 1.00 0.00 C ATOM 920 CG PRO A 64 -3.751 -0.701 -6.391 1.00 0.00 C ATOM 921 CD PRO A 64 -4.550 0.256 -5.550 1.00 0.00 C ATOM 0 HA PRO A 64 -1.606 0.524 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.645 -1.085 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.432 -1.601 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.645 -0.330 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.245 -1.670 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.234 0.849 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.154 -0.268 -4.809 1.00 0.00 H new ATOM 929 N ALA A 65 -0.043 1.531 -5.750 1.00 0.00 N ATOM 930 CA ALA A 65 0.865 2.321 -6.571 1.00 0.00 C ATOM 931 C ALA A 65 2.030 1.474 -7.073 1.00 0.00 C ATOM 932 O ALA A 65 2.077 1.097 -8.243 1.00 0.00 O ATOM 933 CB ALA A 65 1.381 3.518 -5.786 1.00 0.00 C ATOM 0 H ALA A 65 0.396 1.088 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 65 0.311 2.680 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.058 4.099 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.541 4.143 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.914 3.170 -4.901 1.00 0.00 H new ATOM 939 N ALA A 66 2.969 1.179 -6.179 1.00 0.00 N ATOM 940 CA ALA A 66 4.133 0.375 -6.531 1.00 0.00 C ATOM 941 C ALA A 66 4.984 0.074 -5.303 1.00 0.00 C ATOM 942 O ALA A 66 4.776 0.650 -4.235 1.00 0.00 O ATOM 943 CB ALA A 66 4.964 1.085 -7.590 1.00 0.00 C ATOM 0 H ALA A 66 2.946 1.485 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 66 3.780 -0.573 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.830 0.473 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.358 1.243 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.300 2.047 -7.204 1.00 0.00 H new ATOM 949 N ALA A 67 5.942 -0.834 -5.460 1.00 0.00 N ATOM 950 CA ALA A 67 6.825 -1.210 -4.364 1.00 0.00 C ATOM 951 C ALA A 67 8.167 -0.494 -4.468 1.00 0.00 C ATOM 952 O ALA A 67 8.694 -0.267 -5.557 1.00 0.00 O ATOM 953 CB ALA A 67 7.030 -2.718 -4.345 1.00 0.00 C ATOM 0 H ALA A 67 6.126 -1.323 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 67 6.352 -0.906 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.692 -2.985 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.068 -3.214 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.477 -3.036 -5.287 1.00 0.00 H new