USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 38:sc= 0.0547 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 25 SER OG : rot -42:sc= 1.34 USER MOD Single : A 30 SER OG : rot 150:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.492 USER MOD Single : A 66 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.05 K(o=-2,f=-4.6!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -169:sc= -0.916 (180deg=-1.26) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.47 F(o=-3.9!,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -11.014 -7.503 2.491 1.00 0.55 N ATOM 139 CA SER A 12 -10.124 -8.499 3.072 1.00 0.45 C ATOM 140 C SER A 12 -8.746 -7.903 3.328 1.00 0.39 C ATOM 141 O SER A 12 -8.190 -7.214 2.473 1.00 0.38 O ATOM 142 CB SER A 12 -10.008 -9.712 2.146 1.00 0.51 C ATOM 143 OG SER A 12 -9.150 -10.695 2.699 1.00 0.90 O ATOM 0 HA SER A 12 -10.545 -8.821 4.024 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.996 -10.140 1.977 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.627 -9.397 1.175 1.00 0.51 H new ATOM 0 HG SER A 12 -9.094 -11.460 2.089 1.00 0.90 H new ATOM 149 N LEU A 13 -8.204 -8.164 4.512 1.00 0.41 N ATOM 150 CA LEU A 13 -6.890 -7.651 4.877 1.00 0.40 C ATOM 151 C LEU A 13 -5.787 -8.455 4.199 1.00 0.45 C ATOM 152 O LEU A 13 -5.685 -9.669 4.382 1.00 0.68 O ATOM 153 CB LEU A 13 -6.708 -7.684 6.398 1.00 0.56 C ATOM 154 CG LEU A 13 -7.689 -6.814 7.189 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.542 -7.065 8.682 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.463 -5.345 6.872 1.00 0.79 C ATOM 0 H LEU A 13 -8.654 -8.727 5.234 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.822 -6.618 4.536 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.806 -8.715 6.738 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.693 -7.366 6.634 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.704 -7.081 6.895 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.247 -6.438 9.228 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.748 -8.114 8.897 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.526 -6.824 8.993 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.167 -4.738 7.441 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.444 -5.067 7.141 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.616 -5.175 5.806 1.00 0.79 H new ATOM 168 N TYR A 14 -4.962 -7.767 3.417 1.00 0.36 N ATOM 169 CA TYR A 14 -3.861 -8.407 2.705 1.00 0.50 C ATOM 170 C TYR A 14 -2.515 -7.928 3.242 1.00 0.31 C ATOM 171 O TYR A 14 -2.411 -6.833 3.797 1.00 0.37 O ATOM 172 CB TYR A 14 -3.955 -8.112 1.206 1.00 0.80 C ATOM 173 CG TYR A 14 -5.002 -8.930 0.482 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.330 -8.522 0.464 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.668 -10.109 -0.174 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.296 -9.266 -0.187 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.628 -10.856 -0.830 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.915 -10.432 -0.867 1.00 1.98 C ATOM 179 OH TYR A 14 -7.900 -11.174 -1.479 1.00 2.73 O ATOM 0 H TYR A 14 -5.035 -6.762 3.260 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.936 -9.483 2.864 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.176 -7.054 1.068 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.983 -8.297 0.748 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.612 -7.609 0.967 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.642 -10.447 -0.171 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.330 -8.954 -0.172 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.352 -11.781 -1.315 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.499 -11.955 -1.914 1.00 2.73 H new ATOM 189 N SER A 15 -1.487 -8.753 3.073 1.00 0.43 N ATOM 190 CA SER A 15 -0.151 -8.409 3.544 1.00 0.38 C ATOM 191 C SER A 15 0.922 -9.074 2.689 1.00 0.33 C ATOM 192 O SER A 15 0.849 -10.269 2.401 1.00 0.41 O ATOM 193 CB SER A 15 0.019 -8.824 5.008 1.00 0.59 C ATOM 194 OG SER A 15 1.316 -8.506 5.481 1.00 1.19 O ATOM 0 H SER A 15 -1.553 -9.662 2.615 1.00 0.43 H new ATOM 0 HA SER A 15 -0.035 -7.328 3.461 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.729 -8.321 5.621 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.155 -9.895 5.108 1.00 0.59 H new ATOM 0 HG SER A 15 1.600 -7.647 5.104 1.00 1.19 H new ATOM 200 N VAL A 16 1.916 -8.291 2.285 1.00 0.32 N ATOM 201 CA VAL A 16 3.012 -8.799 1.467 1.00 0.33 C ATOM 202 C VAL A 16 4.358 -8.365 2.040 1.00 0.31 C ATOM 203 O VAL A 16 4.579 -7.184 2.302 1.00 0.44 O ATOM 204 CB VAL A 16 2.900 -8.312 0.009 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.045 -8.857 -0.828 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.558 -8.712 -0.585 1.00 0.56 C ATOM 0 H VAL A 16 1.986 -7.299 2.511 1.00 0.32 H new ATOM 0 HA VAL A 16 2.945 -9.887 1.478 1.00 0.33 H new ATOM 0 HB VAL A 16 2.965 -7.224 0.004 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.947 -8.501 -1.854 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.993 -8.515 -0.414 1.00 0.53 H new ATOM 0 HG13 VAL A 16 4.017 -9.947 -0.817 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.496 -8.360 -1.615 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.461 -9.797 -0.566 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.754 -8.266 -0.000 1.00 0.56 H new ATOM 216 N GLU A 17 5.256 -9.327 2.225 1.00 0.33 N ATOM 217 CA GLU A 17 6.577 -9.045 2.778 1.00 0.34 C ATOM 218 C GLU A 17 7.601 -8.785 1.677 1.00 0.32 C ATOM 219 O GLU A 17 7.863 -9.651 0.842 1.00 0.38 O ATOM 220 CB GLU A 17 7.043 -10.208 3.654 1.00 0.45 C ATOM 221 CG GLU A 17 6.116 -10.507 4.821 1.00 0.71 C ATOM 222 CD GLU A 17 6.617 -11.651 5.681 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.272 -12.813 5.381 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.352 -11.384 6.655 1.00 1.74 O ATOM 0 H GLU A 17 5.094 -10.309 2.000 1.00 0.33 H new ATOM 0 HA GLU A 17 6.495 -8.143 3.385 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.135 -11.102 3.037 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.037 -9.984 4.040 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.011 -9.613 5.436 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.124 -10.750 4.440 1.00 0.71 H new ATOM 231 N LEU A 18 8.177 -7.586 1.685 1.00 0.31 N ATOM 232 CA LEU A 18 9.184 -7.212 0.698 1.00 0.34 C ATOM 233 C LEU A 18 10.508 -6.883 1.382 1.00 0.38 C ATOM 234 O LEU A 18 10.613 -5.896 2.111 1.00 0.68 O ATOM 235 CB LEU A 18 8.713 -6.017 -0.130 1.00 0.40 C ATOM 236 CG LEU A 18 7.480 -6.267 -1.006 1.00 0.46 C ATOM 237 CD1 LEU A 18 7.323 -5.144 -2.012 1.00 0.81 C ATOM 238 CD2 LEU A 18 7.579 -7.607 -1.724 1.00 0.71 C ATOM 0 H LEU A 18 7.963 -6.857 2.365 1.00 0.31 H new ATOM 0 HA LEU A 18 9.334 -8.061 0.031 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.495 -5.191 0.547 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.534 -5.695 -0.771 1.00 0.40 H new ATOM 0 HG LEU A 18 6.602 -6.295 -0.360 1.00 0.46 H new ATOM 0 HD11 LEU A 18 6.445 -5.330 -2.630 1.00 0.81 H new ATOM 0 HD12 LEU A 18 7.202 -4.198 -1.485 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.209 -5.096 -2.645 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.691 -7.757 -2.338 1.00 0.71 H new ATOM 0 HD22 LEU A 18 8.465 -7.615 -2.359 1.00 0.71 H new ATOM 0 HD23 LEU A 18 7.652 -8.409 -0.989 1.00 0.71 H new ATOM 250 N PHE A 19 11.513 -7.717 1.141 1.00 0.41 N ATOM 251 CA PHE A 19 12.832 -7.523 1.737 1.00 0.43 C ATOM 252 C PHE A 19 13.623 -6.461 0.981 1.00 0.49 C ATOM 253 O PHE A 19 13.978 -6.655 -0.182 1.00 0.59 O ATOM 254 CB PHE A 19 13.610 -8.842 1.736 1.00 0.48 C ATOM 255 CG PHE A 19 12.845 -9.999 2.313 1.00 0.82 C ATOM 256 CD1 PHE A 19 11.961 -10.723 1.529 1.00 0.74 C ATOM 257 CD2 PHE A 19 13.008 -10.361 3.641 1.00 1.50 C ATOM 258 CE1 PHE A 19 11.255 -11.786 2.059 1.00 1.25 C ATOM 259 CE2 PHE A 19 12.305 -11.424 4.176 1.00 2.08 C ATOM 260 CZ PHE A 19 11.430 -12.143 3.377 1.00 1.94 C ATOM 0 H PHE A 19 11.441 -8.535 0.536 1.00 0.41 H new ATOM 0 HA PHE A 19 12.692 -7.185 2.764 1.00 0.43 H new ATOM 0 HB2 PHE A 19 13.897 -9.083 0.712 1.00 0.48 H new ATOM 0 HB3 PHE A 19 14.532 -8.710 2.303 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.822 -10.453 0.492 1.00 0.74 H new ATOM 0 HD2 PHE A 19 13.693 -9.806 4.265 1.00 1.50 H new ATOM 0 HE1 PHE A 19 10.565 -12.338 1.438 1.00 1.25 H new ATOM 0 HE2 PHE A 19 12.437 -11.694 5.213 1.00 2.08 H new ATOM 0 HZ PHE A 19 10.887 -12.981 3.787 1.00 1.94 H new ATOM 270 N ARG A 20 13.901 -5.339 1.642 1.00 0.52 N ATOM 271 CA ARG A 20 14.664 -4.265 1.017 1.00 0.66 C ATOM 272 C ARG A 20 16.119 -4.308 1.470 1.00 0.68 C ATOM 273 O ARG A 20 16.440 -3.932 2.596 1.00 0.83 O ATOM 274 CB ARG A 20 14.045 -2.903 1.345 1.00 0.73 C ATOM 275 CG ARG A 20 14.886 -1.724 0.876 1.00 0.99 C ATOM 276 CD ARG A 20 14.120 -0.414 0.968 1.00 1.19 C ATOM 277 NE ARG A 20 15.005 0.746 0.918 1.00 1.60 N ATOM 278 CZ ARG A 20 14.723 1.860 0.251 1.00 2.26 C ATOM 279 NH1 ARG A 20 13.598 1.953 -0.445 1.00 2.52 N ATOM 280 NH2 ARG A 20 15.570 2.879 0.275 1.00 3.06 N ATOM 0 H ARG A 20 13.611 -5.152 2.602 1.00 0.52 H new ATOM 0 HA ARG A 20 14.633 -4.408 -0.063 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.059 -2.841 0.885 1.00 0.73 H new ATOM 0 HB3 ARG A 20 13.899 -2.829 2.423 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.791 -1.659 1.480 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.202 -1.889 -0.154 1.00 0.99 H new ATOM 0 HD2 ARG A 20 13.402 -0.357 0.150 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.549 -0.393 1.896 1.00 1.19 H new ATOM 0 HE ARG A 20 15.890 0.699 1.424 1.00 1.60 H new ATOM 0 HH11 ARG A 20 12.947 1.168 -0.469 1.00 2.52 H new ATOM 0 HH12 ARG A 20 13.384 2.809 -0.956 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.438 2.808 0.805 1.00 3.06 H new ATOM 0 HH22 ARG A 20 15.354 3.734 -0.237 1.00 3.06 H new ATOM 294 N GLU A 21 16.997 -4.775 0.587 1.00 0.82 N ATOM 295 CA GLU A 21 18.419 -4.866 0.900 1.00 0.93 C ATOM 296 C GLU A 21 19.269 -4.644 -0.347 1.00 1.16 C ATOM 297 O GLU A 21 20.477 -4.882 -0.337 1.00 1.57 O ATOM 298 CB GLU A 21 18.743 -6.229 1.516 1.00 1.09 C ATOM 299 CG GLU A 21 18.467 -7.401 0.586 1.00 1.62 C ATOM 300 CD GLU A 21 18.888 -8.730 1.181 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.064 -9.113 1.004 1.00 2.21 O ATOM 302 OE2 GLU A 21 18.044 -9.386 1.826 1.00 2.58 O ATOM 0 H GLU A 21 16.749 -5.096 -0.349 1.00 0.82 H new ATOM 0 HA GLU A 21 18.655 -4.084 1.621 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.794 -6.246 1.806 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.158 -6.354 2.427 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.403 -7.432 0.353 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.995 -7.245 -0.355 1.00 1.62 H new ATOM 309 N LYS A 22 18.630 -4.187 -1.418 1.00 1.11 N ATOM 310 CA LYS A 22 19.326 -3.933 -2.674 1.00 1.40 C ATOM 311 C LYS A 22 19.743 -2.469 -2.772 1.00 1.31 C ATOM 312 O LYS A 22 19.154 -1.603 -2.124 1.00 1.38 O ATOM 313 CB LYS A 22 18.431 -4.302 -3.860 1.00 1.65 C ATOM 314 CG LYS A 22 17.825 -5.695 -3.761 1.00 2.00 C ATOM 315 CD LYS A 22 18.895 -6.775 -3.702 1.00 2.54 C ATOM 316 CE LYS A 22 18.284 -8.149 -3.481 1.00 3.05 C ATOM 317 NZ LYS A 22 19.326 -9.207 -3.371 1.00 3.72 N ATOM 0 H LYS A 22 17.631 -3.985 -1.442 1.00 1.11 H new ATOM 0 HA LYS A 22 20.223 -4.552 -2.699 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.627 -3.571 -3.938 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.014 -4.234 -4.778 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.198 -5.756 -2.872 1.00 2.00 H new ATOM 0 HG3 LYS A 22 17.178 -5.871 -4.620 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.467 -6.774 -4.630 1.00 2.54 H new ATOM 0 HD3 LYS A 22 19.595 -6.552 -2.897 1.00 2.54 H new ATOM 0 HE2 LYS A 22 17.681 -8.137 -2.573 1.00 3.05 H new ATOM 0 HE3 LYS A 22 17.612 -8.385 -4.306 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.870 -10.129 -3.221 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 19.885 -9.236 -4.247 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 19.952 -8.996 -2.568 1.00 3.72 H new ATOM 331 N ASP A 23 20.764 -2.199 -3.580 1.00 1.46 N ATOM 332 CA ASP A 23 21.257 -0.837 -3.761 1.00 1.51 C ATOM 333 C ASP A 23 20.418 -0.093 -4.796 1.00 1.31 C ATOM 334 O ASP A 23 20.949 0.457 -5.762 1.00 1.58 O ATOM 335 CB ASP A 23 22.726 -0.851 -4.189 1.00 1.91 C ATOM 336 CG ASP A 23 23.624 -1.509 -3.161 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.734 -2.752 -3.178 1.00 2.58 O ATOM 338 OD2 ASP A 23 24.218 -0.781 -2.338 1.00 2.87 O ATOM 0 H ASP A 23 21.266 -2.904 -4.119 1.00 1.46 H new ATOM 0 HA ASP A 23 21.174 -0.317 -2.807 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.819 -1.378 -5.139 1.00 1.91 H new ATOM 0 HB3 ASP A 23 23.062 0.172 -4.358 1.00 1.91 H new ATOM 343 N THR A 24 19.105 -0.083 -4.588 1.00 1.02 N ATOM 344 CA THR A 24 18.190 0.591 -5.500 1.00 0.98 C ATOM 345 C THR A 24 17.404 1.679 -4.778 1.00 1.01 C ATOM 346 O THR A 24 17.008 2.680 -5.378 1.00 1.16 O ATOM 347 CB THR A 24 17.197 -0.401 -6.136 1.00 1.17 C ATOM 348 OG1 THR A 24 16.254 -0.849 -5.154 1.00 1.38 O ATOM 349 CG2 THR A 24 17.931 -1.601 -6.717 1.00 1.19 C ATOM 0 H THR A 24 18.651 -0.535 -3.794 1.00 1.02 H new ATOM 0 HA THR A 24 18.798 1.040 -6.285 1.00 0.98 H new ATOM 0 HB THR A 24 16.670 0.113 -6.940 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.626 -1.478 -5.567 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.211 -2.288 -7.161 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.630 -1.264 -7.482 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.479 -2.111 -5.925 1.00 1.19 H new ATOM 357 N SER A 25 17.185 1.469 -3.481 1.00 1.05 N ATOM 358 CA SER A 25 16.449 2.419 -2.652 1.00 1.35 C ATOM 359 C SER A 25 15.033 2.630 -3.181 1.00 1.17 C ATOM 360 O SER A 25 14.352 3.579 -2.793 1.00 1.39 O ATOM 361 CB SER A 25 17.190 3.755 -2.581 1.00 1.79 C ATOM 362 OG SER A 25 16.502 4.679 -1.755 1.00 2.45 O ATOM 0 H SER A 25 17.510 0.642 -2.980 1.00 1.05 H new ATOM 0 HA SER A 25 16.379 2.001 -1.648 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.196 3.596 -2.193 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.296 4.169 -3.584 1.00 1.79 H new ATOM 0 HG SER A 25 15.540 4.624 -1.933 1.00 2.45 H new ATOM 368 N SER A 26 14.599 1.738 -4.065 1.00 0.84 N ATOM 369 CA SER A 26 13.265 1.824 -4.647 1.00 0.72 C ATOM 370 C SER A 26 12.499 0.525 -4.432 1.00 0.58 C ATOM 371 O SER A 26 13.024 -0.563 -4.670 1.00 0.69 O ATOM 372 CB SER A 26 13.356 2.136 -6.141 1.00 0.81 C ATOM 373 OG SER A 26 12.067 2.222 -6.724 1.00 1.40 O ATOM 0 H SER A 26 15.152 0.947 -4.394 1.00 0.84 H new ATOM 0 HA SER A 26 12.727 2.631 -4.149 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.888 3.076 -6.288 1.00 0.81 H new ATOM 0 HB3 SER A 26 13.935 1.360 -6.643 1.00 0.81 H new ATOM 0 HG SER A 26 12.153 2.424 -7.679 1.00 1.40 H new ATOM 379 N LEU A 27 11.255 0.645 -3.981 1.00 0.42 N ATOM 380 CA LEU A 27 10.416 -0.523 -3.734 1.00 0.32 C ATOM 381 C LEU A 27 9.411 -0.713 -4.864 1.00 0.29 C ATOM 382 O LEU A 27 8.760 -1.752 -4.960 1.00 0.41 O ATOM 383 CB LEU A 27 9.679 -0.377 -2.401 1.00 0.35 C ATOM 384 CG LEU A 27 10.575 -0.316 -1.162 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.747 -0.010 0.077 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.334 -1.624 -0.986 1.00 0.43 C ATOM 0 H LEU A 27 10.805 1.538 -3.779 1.00 0.42 H new ATOM 0 HA LEU A 27 11.060 -1.401 -3.689 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.074 0.529 -2.437 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.991 -1.216 -2.291 1.00 0.35 H new ATOM 0 HG LEU A 27 11.300 0.486 -1.300 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.399 0.030 0.950 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.248 0.951 -0.047 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.000 -0.791 0.218 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.966 -1.562 -0.100 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.625 -2.443 -0.869 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.956 -1.805 -1.863 1.00 0.43 H new ATOM 398 N GLY A 28 9.292 0.300 -5.718 1.00 0.29 N ATOM 399 CA GLY A 28 8.365 0.228 -6.832 1.00 0.31 C ATOM 400 C GLY A 28 6.970 0.688 -6.459 1.00 0.29 C ATOM 401 O GLY A 28 6.039 0.577 -7.256 1.00 0.52 O ATOM 0 H GLY A 28 9.822 1.170 -5.658 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.739 0.842 -7.652 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.320 -0.798 -7.197 1.00 0.31 H new ATOM 405 N ILE A 29 6.827 1.209 -5.245 1.00 0.35 N ATOM 406 CA ILE A 29 5.536 1.686 -4.762 1.00 0.32 C ATOM 407 C ILE A 29 5.282 3.124 -5.207 1.00 0.30 C ATOM 408 O ILE A 29 5.918 4.056 -4.715 1.00 0.35 O ATOM 409 CB ILE A 29 5.452 1.614 -3.224 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.737 0.189 -2.744 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.084 2.080 -2.744 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.826 0.062 -1.238 1.00 0.84 C ATOM 0 H ILE A 29 7.591 1.312 -4.577 1.00 0.35 H new ATOM 0 HA ILE A 29 4.775 1.035 -5.192 1.00 0.32 H new ATOM 0 HB ILE A 29 6.206 2.277 -2.801 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.952 -0.472 -3.110 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.673 -0.153 -3.185 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.041 2.023 -1.656 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.919 3.110 -3.060 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.311 1.441 -3.171 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.030 -0.975 -0.972 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.630 0.697 -0.866 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.882 0.373 -0.790 1.00 0.84 H new ATOM 424 N SER A 30 4.349 3.298 -6.139 1.00 0.27 N ATOM 425 CA SER A 30 4.011 4.624 -6.645 1.00 0.29 C ATOM 426 C SER A 30 2.586 5.007 -6.254 1.00 0.28 C ATOM 427 O SER A 30 1.621 4.579 -6.888 1.00 0.35 O ATOM 428 CB SER A 30 4.166 4.665 -8.166 1.00 0.33 C ATOM 429 OG SER A 30 5.492 4.350 -8.553 1.00 0.95 O ATOM 0 H SER A 30 3.814 2.538 -6.559 1.00 0.27 H new ATOM 0 HA SER A 30 4.696 5.344 -6.198 1.00 0.29 H new ATOM 0 HB2 SER A 30 3.473 3.959 -8.624 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.902 5.656 -8.535 1.00 0.33 H new ATOM 0 HG SER A 30 5.482 3.920 -9.434 1.00 0.95 H new ATOM 435 N ILE A 31 2.462 5.815 -5.204 1.00 0.25 N ATOM 436 CA ILE A 31 1.154 6.254 -4.724 1.00 0.27 C ATOM 437 C ILE A 31 0.747 7.581 -5.357 1.00 0.31 C ATOM 438 O ILE A 31 1.598 8.389 -5.730 1.00 0.41 O ATOM 439 CB ILE A 31 1.139 6.403 -3.191 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.255 7.348 -2.739 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.280 5.042 -2.527 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.184 7.719 -1.273 1.00 0.39 C ATOM 0 H ILE A 31 3.251 6.179 -4.669 1.00 0.25 H new ATOM 0 HA ILE A 31 0.439 5.484 -5.015 1.00 0.27 H new ATOM 0 HB ILE A 31 0.184 6.833 -2.889 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.219 6.880 -2.940 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.212 8.258 -3.337 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.268 5.163 -1.444 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.452 4.402 -2.830 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.222 4.585 -2.831 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.007 8.390 -1.027 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.236 8.217 -1.069 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.258 6.817 -0.665 1.00 0.39 H new ATOM 454 N SER A 32 -0.560 7.798 -5.468 1.00 0.37 N ATOM 455 CA SER A 32 -1.089 9.024 -6.056 1.00 0.44 C ATOM 456 C SER A 32 -1.706 9.921 -4.987 1.00 0.55 C ATOM 457 O SER A 32 -2.474 9.459 -4.142 1.00 0.59 O ATOM 458 CB SER A 32 -2.134 8.689 -7.121 1.00 0.48 C ATOM 459 OG SER A 32 -3.219 7.967 -6.563 1.00 1.32 O ATOM 0 H SER A 32 -1.274 7.139 -5.158 1.00 0.37 H new ATOM 0 HA SER A 32 -0.262 9.562 -6.520 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.501 9.609 -7.576 1.00 0.48 H new ATOM 0 HB3 SER A 32 -1.673 8.102 -7.915 1.00 0.48 H new ATOM 0 HG SER A 32 -3.874 7.767 -7.264 1.00 1.32 H new ATOM 465 N GLY A 33 -1.364 11.207 -5.032 1.00 0.70 N ATOM 466 CA GLY A 33 -1.891 12.153 -4.065 1.00 0.87 C ATOM 467 C GLY A 33 -3.401 12.274 -4.134 1.00 0.88 C ATOM 468 O GLY A 33 -3.943 12.832 -5.089 1.00 0.95 O ATOM 0 H GLY A 33 -0.730 11.610 -5.722 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.600 11.842 -3.062 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.443 13.132 -4.238 1.00 0.87 H new ATOM 634 N ILE A 46 -4.199 7.022 1.315 1.00 0.46 N ATOM 635 CA ILE A 46 -3.061 6.632 0.489 1.00 0.39 C ATOM 636 C ILE A 46 -3.275 5.247 -0.114 1.00 0.39 C ATOM 637 O ILE A 46 -3.632 4.302 0.590 1.00 0.57 O ATOM 638 CB ILE A 46 -1.748 6.634 1.302 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.487 8.022 1.898 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.577 6.194 0.435 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.371 9.122 0.861 1.00 0.55 C ATOM 0 HA ILE A 46 -2.981 7.367 -0.312 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.852 5.922 2.121 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.295 8.269 2.587 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.568 7.989 2.483 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.338 6.203 1.028 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.759 5.186 0.063 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.470 6.878 -0.407 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -1.187 10.074 1.359 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.545 8.900 0.186 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -2.298 9.184 0.291 1.00 0.55 H new ATOM 653 N TYR A 47 -3.054 5.131 -1.422 1.00 0.30 N ATOM 654 CA TYR A 47 -3.228 3.858 -2.114 1.00 0.30 C ATOM 655 C TYR A 47 -2.348 3.782 -3.361 1.00 0.26 C ATOM 656 O TYR A 47 -2.241 4.749 -4.116 1.00 0.29 O ATOM 657 CB TYR A 47 -4.699 3.660 -2.495 1.00 0.36 C ATOM 658 CG TYR A 47 -5.253 4.744 -3.394 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.702 5.949 -2.867 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.332 4.559 -4.768 1.00 0.48 C ATOM 661 CE1 TYR A 47 -6.213 6.938 -3.685 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.841 5.545 -5.593 1.00 0.57 C ATOM 663 CZ TYR A 47 -6.280 6.732 -5.046 1.00 0.58 C ATOM 664 OH TYR A 47 -6.789 7.715 -5.863 1.00 0.70 O ATOM 0 H TYR A 47 -2.755 5.901 -2.021 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.924 3.061 -1.435 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.808 2.697 -2.994 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.297 3.616 -1.585 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.651 6.115 -1.801 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.990 3.630 -5.199 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.559 7.869 -3.260 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.894 5.386 -6.660 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.765 7.411 -6.794 1.00 0.70 H new ATOM 674 N VAL A 48 -1.719 2.626 -3.566 1.00 0.26 N ATOM 675 CA VAL A 48 -0.853 2.419 -4.722 1.00 0.25 C ATOM 676 C VAL A 48 -1.646 2.513 -6.018 1.00 0.28 C ATOM 677 O VAL A 48 -2.570 1.730 -6.251 1.00 0.39 O ATOM 678 CB VAL A 48 -0.143 1.052 -4.665 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.715 0.834 -5.902 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.697 0.942 -3.404 1.00 0.29 C ATOM 0 H VAL A 48 -1.794 1.820 -2.946 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.100 3.206 -4.696 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.905 0.273 -4.642 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.205 -0.137 -5.838 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.086 0.865 -6.791 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.470 1.618 -5.964 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.191 -0.029 -3.380 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.448 1.732 -3.397 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.055 1.044 -2.529 1.00 0.29 H new ATOM 690 N LYS A 49 -1.272 3.474 -6.857 1.00 0.31 N ATOM 691 CA LYS A 49 -1.939 3.688 -8.135 1.00 0.38 C ATOM 692 C LYS A 49 -1.163 3.029 -9.273 1.00 0.32 C ATOM 693 O LYS A 49 -1.738 2.670 -10.301 1.00 0.37 O ATOM 694 CB LYS A 49 -2.098 5.192 -8.392 1.00 0.49 C ATOM 695 CG LYS A 49 -2.695 5.534 -9.749 1.00 0.61 C ATOM 696 CD LYS A 49 -1.614 5.833 -10.777 1.00 0.84 C ATOM 697 CE LYS A 49 -2.208 6.370 -12.068 1.00 1.65 C ATOM 698 NZ LYS A 49 -1.158 6.681 -13.077 1.00 2.40 N ATOM 0 H LYS A 49 -0.505 4.121 -6.672 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.926 3.228 -8.094 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.730 5.617 -7.612 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.122 5.669 -8.307 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -3.309 4.703 -10.097 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.353 6.397 -9.651 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -0.912 6.560 -10.368 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -1.047 4.925 -10.986 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -2.902 5.637 -12.480 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -2.785 7.270 -11.855 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -1.605 7.045 -13.943 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -0.510 7.399 -12.694 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -0.624 5.817 -13.300 1.00 2.40 H new ATOM 712 N SER A 50 0.144 2.869 -9.083 1.00 0.28 N ATOM 713 CA SER A 50 0.991 2.256 -10.101 1.00 0.35 C ATOM 714 C SER A 50 2.221 1.600 -9.478 1.00 0.28 C ATOM 715 O SER A 50 2.583 1.889 -8.335 1.00 0.25 O ATOM 716 CB SER A 50 1.425 3.303 -11.130 1.00 0.49 C ATOM 717 OG SER A 50 2.154 4.351 -10.514 1.00 1.28 O ATOM 0 H SER A 50 0.638 3.154 -8.237 1.00 0.28 H new ATOM 0 HA SER A 50 0.407 1.482 -10.599 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.039 2.831 -11.897 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.547 3.712 -11.630 1.00 0.49 H new ATOM 0 HG SER A 50 2.421 5.006 -11.192 1.00 1.28 H new ATOM 723 N LEU A 51 2.858 0.716 -10.240 1.00 0.32 N ATOM 724 CA LEU A 51 4.050 0.013 -9.777 1.00 0.27 C ATOM 725 C LEU A 51 5.216 0.235 -10.736 1.00 0.27 C ATOM 726 O LEU A 51 5.015 0.532 -11.914 1.00 0.42 O ATOM 727 CB LEU A 51 3.769 -1.487 -9.646 1.00 0.30 C ATOM 728 CG LEU A 51 2.690 -1.866 -8.628 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.412 -3.361 -8.680 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.111 -1.452 -7.225 1.00 0.32 C ATOM 0 H LEU A 51 2.567 0.469 -11.186 1.00 0.32 H new ATOM 0 HA LEU A 51 4.318 0.413 -8.799 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.474 -1.871 -10.623 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.696 -1.991 -9.372 1.00 0.30 H new ATOM 0 HG LEU A 51 1.773 -1.334 -8.884 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.643 -3.614 -7.950 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.069 -3.633 -9.678 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.325 -3.909 -8.449 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.332 -1.729 -6.515 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.040 -1.957 -6.960 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.263 -0.373 -7.194 1.00 0.32 H new ATOM 742 N ILE A 52 6.435 0.091 -10.225 1.00 0.24 N ATOM 743 CA ILE A 52 7.631 0.270 -11.040 1.00 0.24 C ATOM 744 C ILE A 52 8.188 -1.081 -11.495 1.00 0.23 C ATOM 745 O ILE A 52 8.646 -1.874 -10.671 1.00 0.28 O ATOM 746 CB ILE A 52 8.729 1.034 -10.271 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.199 2.387 -9.783 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.960 1.224 -11.146 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.728 3.301 -10.897 1.00 1.26 C ATOM 0 H ILE A 52 6.620 -0.149 -9.251 1.00 0.24 H new ATOM 0 HA ILE A 52 7.338 0.855 -11.912 1.00 0.24 H new ATOM 0 HB ILE A 52 9.016 0.443 -9.401 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.372 2.215 -9.094 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.984 2.892 -9.220 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.724 1.765 -10.587 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.349 0.250 -11.443 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.690 1.793 -12.035 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.368 4.238 -10.471 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.557 3.505 -11.575 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.920 2.818 -11.447 1.00 1.26 H new ATOM 761 N PRO A 53 8.159 -1.364 -12.812 1.00 0.31 N ATOM 762 CA PRO A 53 8.665 -2.630 -13.357 1.00 0.35 C ATOM 763 C PRO A 53 10.156 -2.814 -13.097 1.00 0.34 C ATOM 764 O PRO A 53 10.978 -2.009 -13.538 1.00 0.46 O ATOM 765 CB PRO A 53 8.395 -2.518 -14.862 1.00 0.43 C ATOM 766 CG PRO A 53 8.240 -1.059 -15.120 1.00 0.82 C ATOM 767 CD PRO A 53 7.636 -0.484 -13.872 1.00 0.47 C ATOM 0 HA PRO A 53 8.182 -3.490 -12.893 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.218 -2.936 -15.442 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.496 -3.066 -15.143 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.203 -0.596 -15.337 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.598 -0.881 -15.983 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.936 0.553 -13.720 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.547 -0.499 -13.907 1.00 0.47 H new ATOM 775 N GLY A 54 10.499 -3.879 -12.378 1.00 0.39 N ATOM 776 CA GLY A 54 11.889 -4.153 -12.070 1.00 0.41 C ATOM 777 C GLY A 54 12.220 -3.906 -10.611 1.00 0.39 C ATOM 778 O GLY A 54 13.384 -3.954 -10.216 1.00 0.49 O ATOM 0 H GLY A 54 9.836 -4.558 -12.003 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.116 -5.189 -12.320 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.526 -3.527 -12.695 1.00 0.41 H new ATOM 782 N SER A 55 11.192 -3.641 -9.809 1.00 0.35 N ATOM 783 CA SER A 55 11.381 -3.389 -8.386 1.00 0.35 C ATOM 784 C SER A 55 10.925 -4.585 -7.555 1.00 0.32 C ATOM 785 O SER A 55 10.566 -5.627 -8.101 1.00 0.36 O ATOM 786 CB SER A 55 10.613 -2.136 -7.961 1.00 0.37 C ATOM 787 OG SER A 55 11.056 -0.999 -8.680 1.00 1.23 O ATOM 0 H SER A 55 10.222 -3.596 -10.121 1.00 0.35 H new ATOM 0 HA SER A 55 12.445 -3.232 -8.210 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.546 -2.284 -8.130 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.746 -1.969 -6.892 1.00 0.37 H new ATOM 0 HG SER A 55 10.801 -0.186 -8.196 1.00 1.23 H new ATOM 793 N ALA A 56 10.943 -4.429 -6.236 1.00 0.35 N ATOM 794 CA ALA A 56 10.530 -5.499 -5.334 1.00 0.36 C ATOM 795 C ALA A 56 9.031 -5.757 -5.437 1.00 0.32 C ATOM 796 O ALA A 56 8.593 -6.902 -5.547 1.00 0.34 O ATOM 797 CB ALA A 56 10.908 -5.156 -3.901 1.00 0.42 C ATOM 0 H ALA A 56 11.239 -3.573 -5.767 1.00 0.35 H new ATOM 0 HA ALA A 56 11.051 -6.410 -5.630 1.00 0.36 H new ATOM 0 HB1 ALA A 56 10.594 -5.963 -3.239 1.00 0.42 H new ATOM 0 HB2 ALA A 56 11.988 -5.028 -3.830 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.413 -4.231 -3.606 1.00 0.42 H new ATOM 803 N ALA A 57 8.252 -4.681 -5.399 1.00 0.30 N ATOM 804 CA ALA A 57 6.800 -4.779 -5.483 1.00 0.30 C ATOM 805 C ALA A 57 6.359 -5.493 -6.760 1.00 0.30 C ATOM 806 O ALA A 57 5.442 -6.313 -6.739 1.00 0.35 O ATOM 807 CB ALA A 57 6.178 -3.392 -5.415 1.00 0.32 C ATOM 0 H ALA A 57 8.604 -3.728 -5.310 1.00 0.30 H new ATOM 0 HA ALA A 57 6.455 -5.370 -4.635 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.093 -3.476 -5.479 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.450 -2.917 -4.473 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.544 -2.788 -6.245 1.00 0.32 H new ATOM 813 N ALA A 58 7.025 -5.179 -7.867 1.00 0.31 N ATOM 814 CA ALA A 58 6.698 -5.782 -9.155 1.00 0.33 C ATOM 815 C ALA A 58 7.096 -7.254 -9.203 1.00 0.34 C ATOM 816 O ALA A 58 6.276 -8.116 -9.519 1.00 0.44 O ATOM 817 CB ALA A 58 7.376 -5.016 -10.280 1.00 0.37 C ATOM 0 H ALA A 58 7.795 -4.510 -7.898 1.00 0.31 H new ATOM 0 HA ALA A 58 5.617 -5.726 -9.284 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.125 -5.475 -11.236 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.034 -3.981 -10.273 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.456 -5.042 -10.138 1.00 0.37 H new ATOM 823 N LEU A 59 8.358 -7.535 -8.892 1.00 0.35 N ATOM 824 CA LEU A 59 8.864 -8.904 -8.906 1.00 0.39 C ATOM 825 C LEU A 59 8.104 -9.786 -7.919 1.00 0.42 C ATOM 826 O LEU A 59 8.123 -11.013 -8.030 1.00 0.57 O ATOM 827 CB LEU A 59 10.359 -8.924 -8.583 1.00 0.47 C ATOM 828 CG LEU A 59 11.260 -8.277 -9.640 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.690 -8.183 -9.135 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.205 -9.063 -10.943 1.00 0.61 C ATOM 0 H LEU A 59 9.049 -6.833 -8.627 1.00 0.35 H new ATOM 0 HA LEU A 59 8.711 -9.305 -9.908 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.517 -8.415 -7.632 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.672 -9.959 -8.446 1.00 0.47 H new ATOM 0 HG LEU A 59 10.895 -7.268 -9.832 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.316 -7.721 -9.899 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.717 -7.578 -8.229 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.065 -9.183 -8.915 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.851 -8.589 -11.682 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.544 -10.084 -10.767 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.180 -9.080 -11.315 1.00 0.61 H new ATOM 842 N ASP A 60 7.439 -9.159 -6.953 1.00 0.44 N ATOM 843 CA ASP A 60 6.674 -9.895 -5.953 1.00 0.52 C ATOM 844 C ASP A 60 5.543 -10.683 -6.608 1.00 0.61 C ATOM 845 O ASP A 60 5.438 -11.897 -6.435 1.00 0.79 O ATOM 846 CB ASP A 60 6.106 -8.938 -4.904 1.00 0.74 C ATOM 847 CG ASP A 60 5.364 -9.668 -3.802 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.022 -10.113 -2.838 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.126 -9.791 -3.902 1.00 1.86 O ATOM 0 H ASP A 60 7.415 -8.145 -6.842 1.00 0.44 H new ATOM 0 HA ASP A 60 7.347 -10.598 -5.462 1.00 0.52 H new ATOM 0 HB2 ASP A 60 6.918 -8.356 -4.468 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.431 -8.231 -5.387 1.00 0.74 H new ATOM 854 N GLY A 61 4.698 -9.981 -7.359 1.00 0.72 N ATOM 855 CA GLY A 61 3.588 -10.629 -8.034 1.00 1.06 C ATOM 856 C GLY A 61 2.253 -10.346 -7.372 1.00 0.83 C ATOM 857 O GLY A 61 1.291 -9.964 -8.040 1.00 0.94 O ATOM 0 H GLY A 61 4.763 -8.975 -7.512 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.553 -10.294 -9.071 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.758 -11.705 -8.053 1.00 1.06 H new ATOM 861 N ARG A 62 2.192 -10.535 -6.058 1.00 0.63 N ATOM 862 CA ARG A 62 0.964 -10.300 -5.306 1.00 0.59 C ATOM 863 C ARG A 62 0.617 -8.815 -5.270 1.00 0.52 C ATOM 864 O ARG A 62 -0.541 -8.444 -5.080 1.00 0.69 O ATOM 865 CB ARG A 62 1.100 -10.836 -3.881 1.00 0.67 C ATOM 866 CG ARG A 62 1.168 -12.353 -3.806 1.00 0.81 C ATOM 867 CD ARG A 62 1.369 -12.831 -2.377 1.00 1.05 C ATOM 868 NE ARG A 62 2.669 -12.431 -1.846 1.00 1.31 N ATOM 869 CZ ARG A 62 3.095 -12.736 -0.624 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.322 -13.434 0.198 1.00 2.26 N ATOM 871 NH2 ARG A 62 4.295 -12.342 -0.222 1.00 2.59 N ATOM 0 H ARG A 62 2.979 -10.850 -5.491 1.00 0.63 H new ATOM 0 HA ARG A 62 0.157 -10.830 -5.812 1.00 0.59 H new ATOM 0 HB2 ARG A 62 1.999 -10.417 -3.428 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.253 -10.489 -3.289 1.00 0.67 H new ATOM 0 HG2 ARG A 62 0.249 -12.780 -4.208 1.00 0.81 H new ATOM 0 HG3 ARG A 62 1.986 -12.713 -4.430 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.579 -12.427 -1.745 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.281 -13.917 -2.342 1.00 1.05 H new ATOM 0 HE ARG A 62 3.286 -11.886 -2.448 1.00 1.31 H new ATOM 0 HH11 ARG A 62 1.397 -13.739 -0.107 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.652 -13.666 1.135 1.00 2.26 H new ATOM 0 HH21 ARG A 62 4.892 -11.804 -0.850 1.00 2.59 H new ATOM 0 HH22 ARG A 62 4.621 -12.576 0.716 1.00 2.59 H new ATOM 885 N ILE A 63 1.625 -7.966 -5.453 1.00 0.48 N ATOM 886 CA ILE A 63 1.416 -6.523 -5.441 1.00 0.48 C ATOM 887 C ILE A 63 0.775 -6.054 -6.744 1.00 0.49 C ATOM 888 O ILE A 63 1.305 -6.292 -7.829 1.00 0.59 O ATOM 889 CB ILE A 63 2.739 -5.758 -5.232 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.471 -6.276 -3.988 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.473 -4.263 -5.116 1.00 0.66 C ATOM 892 CD1 ILE A 63 2.703 -6.083 -2.698 1.00 0.92 C ATOM 0 H ILE A 63 2.591 -8.252 -5.611 1.00 0.48 H new ATOM 0 HA ILE A 63 0.749 -6.309 -4.606 1.00 0.48 H new ATOM 0 HB ILE A 63 3.378 -5.928 -6.098 1.00 0.58 H new ATOM 0 HG12 ILE A 63 3.682 -7.337 -4.118 1.00 0.66 H new ATOM 0 HG13 ILE A 63 4.432 -5.768 -3.906 1.00 0.66 H new ATOM 0 HG21 ILE A 63 3.416 -3.736 -4.969 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.997 -3.906 -6.029 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.816 -4.075 -4.267 1.00 0.66 H new ATOM 0 HD11 ILE A 63 3.287 -6.475 -1.865 1.00 0.92 H new ATOM 0 HD12 ILE A 63 2.515 -5.021 -2.542 1.00 0.92 H new ATOM 0 HD13 ILE A 63 1.753 -6.614 -2.757 1.00 0.92 H new ATOM 904 N GLU A 64 -0.367 -5.386 -6.627 1.00 0.51 N ATOM 905 CA GLU A 64 -1.080 -4.880 -7.794 1.00 0.58 C ATOM 906 C GLU A 64 -1.052 -3.353 -7.834 1.00 0.56 C ATOM 907 O GLU A 64 -0.907 -2.702 -6.798 1.00 0.66 O ATOM 908 CB GLU A 64 -2.526 -5.377 -7.793 1.00 0.79 C ATOM 909 CG GLU A 64 -2.768 -6.541 -8.741 1.00 1.09 C ATOM 910 CD GLU A 64 -1.954 -7.768 -8.380 1.00 1.39 C ATOM 911 OE1 GLU A 64 -2.450 -8.599 -7.591 1.00 1.67 O ATOM 912 OE2 GLU A 64 -0.818 -7.896 -8.884 1.00 1.98 O ATOM 0 H GLU A 64 -0.819 -5.182 -5.736 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.576 -5.256 -8.684 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.797 -5.680 -6.782 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.185 -4.553 -8.066 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.827 -6.797 -8.732 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.523 -6.233 -9.758 1.00 1.09 H new ATOM 919 N PRO A 65 -1.189 -2.760 -9.037 1.00 0.56 N ATOM 920 CA PRO A 65 -1.178 -1.308 -9.214 1.00 0.64 C ATOM 921 C PRO A 65 -2.514 -0.670 -8.842 1.00 0.72 C ATOM 922 O PRO A 65 -2.955 0.285 -9.483 1.00 1.44 O ATOM 923 CB PRO A 65 -0.900 -1.123 -10.717 1.00 0.77 C ATOM 924 CG PRO A 65 -0.710 -2.497 -11.282 1.00 0.83 C ATOM 925 CD PRO A 65 -1.356 -3.448 -10.320 1.00 0.62 C ATOM 0 HA PRO A 65 -0.439 -0.830 -8.571 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -1.730 -0.613 -11.206 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -0.012 -0.511 -10.876 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.165 -2.576 -12.270 1.00 0.83 H new ATOM 0 HG3 PRO A 65 0.349 -2.725 -11.400 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.407 -3.615 -10.558 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.869 -4.423 -10.324 1.00 0.62 H new ATOM 933 N ASN A 66 -3.152 -1.202 -7.804 1.00 0.60 N ATOM 934 CA ASN A 66 -4.437 -0.686 -7.347 1.00 0.59 C ATOM 935 C ASN A 66 -4.818 -1.292 -5.999 1.00 0.51 C ATOM 936 O ASN A 66 -5.674 -2.174 -5.921 1.00 0.73 O ATOM 937 CB ASN A 66 -5.527 -0.975 -8.384 1.00 0.66 C ATOM 938 CG ASN A 66 -5.568 -2.434 -8.797 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.291 -3.239 -8.209 1.00 2.15 O ATOM 940 ND2 ASN A 66 -4.791 -2.783 -9.814 1.00 2.01 N ATOM 0 H ASN A 66 -2.799 -1.991 -7.263 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.345 0.393 -7.224 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.496 -0.690 -7.976 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -5.358 -0.356 -9.265 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -4.777 -3.750 -10.137 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -4.207 -2.084 -10.273 1.00 2.01 H new ATOM 947 N ASP A 67 -4.178 -0.812 -4.939 1.00 0.36 N ATOM 948 CA ASP A 67 -4.451 -1.310 -3.592 1.00 0.34 C ATOM 949 C ASP A 67 -4.381 -0.182 -2.572 1.00 0.30 C ATOM 950 O ASP A 67 -3.635 0.780 -2.750 1.00 0.38 O ATOM 951 CB ASP A 67 -3.459 -2.415 -3.222 1.00 0.41 C ATOM 952 CG ASP A 67 -3.584 -3.629 -4.120 1.00 1.17 C ATOM 953 OD1 ASP A 67 -4.374 -4.536 -3.786 1.00 1.46 O ATOM 954 OD2 ASP A 67 -2.890 -3.674 -5.158 1.00 2.02 O ATOM 0 H ASP A 67 -3.468 -0.081 -4.984 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.460 -1.722 -3.581 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -2.444 -2.024 -3.284 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.622 -2.714 -2.187 1.00 0.41 H new ATOM 959 N LYS A 68 -5.159 -0.304 -1.499 1.00 0.27 N ATOM 960 CA LYS A 68 -5.183 0.720 -0.459 1.00 0.28 C ATOM 961 C LYS A 68 -4.152 0.426 0.626 1.00 0.26 C ATOM 962 O LYS A 68 -4.260 -0.565 1.346 1.00 0.38 O ATOM 963 CB LYS A 68 -6.579 0.818 0.160 1.00 0.37 C ATOM 964 CG LYS A 68 -6.686 1.871 1.251 1.00 0.53 C ATOM 965 CD LYS A 68 -8.098 1.956 1.809 1.00 0.53 C ATOM 966 CE LYS A 68 -8.202 3.013 2.897 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.585 3.121 3.438 1.00 1.02 N ATOM 0 H LYS A 68 -5.777 -1.097 -1.328 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.930 1.674 -0.922 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.301 1.045 -0.625 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.853 -0.152 0.574 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.990 1.634 2.056 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.393 2.842 0.851 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.795 2.190 1.005 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.390 0.987 2.212 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.514 2.769 3.706 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.893 3.978 2.496 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.613 3.852 4.177 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.239 3.379 2.671 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.871 2.207 3.844 1.00 1.02 H new ATOM 981 N ILE A 69 -3.154 1.298 0.740 1.00 0.24 N ATOM 982 CA ILE A 69 -2.109 1.134 1.741 1.00 0.21 C ATOM 983 C ILE A 69 -2.552 1.708 3.083 1.00 0.21 C ATOM 984 O ILE A 69 -3.147 2.784 3.142 1.00 0.29 O ATOM 985 CB ILE A 69 -0.798 1.820 1.308 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.386 1.351 -0.090 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.310 1.538 2.313 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.139 -0.141 -0.187 1.00 0.28 C ATOM 0 H ILE A 69 -3.049 2.124 0.151 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.928 0.064 1.842 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.967 2.896 1.276 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.165 1.628 -0.800 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.519 1.880 -0.388 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.228 2.030 1.991 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.019 1.919 3.292 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.478 0.463 2.377 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.149 -0.397 -1.207 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.661 -0.423 0.497 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -1.049 -0.679 0.079 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.259 0.983 4.158 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.633 1.419 5.496 1.00 0.21 C ATOM 1002 C LEU A 70 -1.401 1.660 6.361 1.00 0.20 C ATOM 1003 O LEU A 70 -1.124 2.789 6.769 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.536 0.378 6.163 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.808 0.025 5.389 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.533 -1.132 6.059 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.723 1.236 5.280 1.00 0.38 C ATOM 0 H LEU A 70 -1.764 0.092 4.127 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.177 2.359 5.400 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.959 -0.534 6.317 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.820 0.746 7.149 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.524 -0.281 4.382 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.435 -1.371 5.496 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.880 -2.004 6.085 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.804 -0.851 7.077 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.622 0.964 4.726 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.000 1.574 6.279 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.203 2.039 4.757 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.661 0.591 6.635 1.00 0.20 N ATOM 1020 CA ARG A 71 0.534 0.686 7.464 1.00 0.25 C ATOM 1021 C ARG A 71 1.727 -0.007 6.815 1.00 0.18 C ATOM 1022 O ARG A 71 1.574 -0.801 5.885 1.00 0.26 O ATOM 1023 CB ARG A 71 0.270 0.063 8.836 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.990 0.579 9.512 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.272 -0.173 10.804 1.00 0.77 C ATOM 1026 NE ARG A 71 -2.492 0.294 11.456 1.00 1.38 N ATOM 1027 CZ ARG A 71 -3.065 -0.330 12.481 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -2.533 -1.445 12.967 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -4.174 0.158 13.021 1.00 2.61 N ATOM 0 H ARG A 71 -0.867 -0.349 6.296 1.00 0.20 H new ATOM 0 HA ARG A 71 0.774 1.743 7.575 1.00 0.25 H new ATOM 0 HB2 ARG A 71 0.195 -1.019 8.725 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.125 0.258 9.484 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.882 1.643 9.724 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.838 0.474 8.835 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.360 -1.238 10.591 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.429 -0.053 11.484 1.00 0.77 H new ATOM 0 HE ARG A 71 -2.929 1.146 11.106 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.682 -1.826 12.554 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -2.976 -1.921 13.753 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -4.588 1.013 12.650 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -4.612 -0.322 13.807 1.00 2.61 H new ATOM 1043 N VAL A 72 2.917 0.309 7.317 1.00 0.21 N ATOM 1044 CA VAL A 72 4.155 -0.281 6.823 1.00 0.17 C ATOM 1045 C VAL A 72 4.954 -0.850 7.995 1.00 0.17 C ATOM 1046 O VAL A 72 4.628 -0.586 9.152 1.00 0.20 O ATOM 1047 CB VAL A 72 5.004 0.756 6.047 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.253 0.124 5.450 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.168 1.410 4.957 1.00 0.28 C ATOM 0 H VAL A 72 3.049 0.979 8.075 1.00 0.21 H new ATOM 0 HA VAL A 72 3.901 -1.084 6.131 1.00 0.17 H new ATOM 0 HB VAL A 72 5.327 1.519 6.755 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.823 0.882 4.913 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.866 -0.294 6.248 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.965 -0.669 4.760 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.776 2.137 4.419 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.815 0.648 4.263 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.313 1.915 5.407 1.00 0.28 H new ATOM 1059 N ASP A 73 5.979 -1.641 7.695 1.00 0.18 N ATOM 1060 CA ASP A 73 6.814 -2.259 8.724 1.00 0.21 C ATOM 1061 C ASP A 73 7.136 -1.298 9.873 1.00 0.22 C ATOM 1062 O ASP A 73 7.921 -0.362 9.715 1.00 0.23 O ATOM 1063 CB ASP A 73 8.114 -2.762 8.099 1.00 0.26 C ATOM 1064 CG ASP A 73 8.803 -3.807 8.953 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.509 -5.007 8.771 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.638 -3.427 9.800 1.00 0.56 O ATOM 0 H ASP A 73 6.254 -1.872 6.740 1.00 0.18 H new ATOM 0 HA ASP A 73 6.248 -3.091 9.143 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.902 -3.183 7.116 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.789 -1.920 7.946 1.00 0.26 H new ATOM 1071 N ASP A 74 6.519 -1.549 11.028 1.00 0.25 N ATOM 1072 CA ASP A 74 6.738 -0.750 12.237 1.00 0.29 C ATOM 1073 C ASP A 74 6.452 0.743 12.042 1.00 0.25 C ATOM 1074 O ASP A 74 6.642 1.532 12.967 1.00 0.29 O ATOM 1075 CB ASP A 74 8.174 -0.934 12.733 1.00 0.35 C ATOM 1076 CG ASP A 74 8.447 -2.351 13.197 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.740 -3.210 12.338 1.00 2.01 O ATOM 1078 OD2 ASP A 74 8.370 -2.603 14.417 1.00 1.34 O ATOM 0 H ASP A 74 5.853 -2.312 11.153 1.00 0.25 H new ATOM 0 HA ASP A 74 6.027 -1.114 12.978 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.868 -0.676 11.933 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.363 -0.243 13.554 1.00 0.35 H new ATOM 1083 N VAL A 75 5.996 1.134 10.856 1.00 0.27 N ATOM 1084 CA VAL A 75 5.701 2.540 10.588 1.00 0.27 C ATOM 1085 C VAL A 75 4.479 2.694 9.689 1.00 0.37 C ATOM 1086 O VAL A 75 4.512 2.325 8.518 1.00 0.79 O ATOM 1087 CB VAL A 75 6.897 3.254 9.922 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.548 4.700 9.594 1.00 0.40 C ATOM 1089 CG2 VAL A 75 8.129 3.190 10.813 1.00 0.41 C ATOM 0 H VAL A 75 5.824 0.505 10.071 1.00 0.27 H new ATOM 0 HA VAL A 75 5.499 3.000 11.555 1.00 0.27 H new ATOM 0 HB VAL A 75 7.123 2.737 8.990 1.00 0.36 H new ATOM 0 HG11 VAL A 75 7.405 5.184 9.126 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.700 4.723 8.910 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.289 5.229 10.511 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.959 3.699 10.323 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.915 3.676 11.765 1.00 0.41 H new ATOM 0 HG23 VAL A 75 8.396 2.148 10.990 1.00 0.41 H new ATOM 1099 N ASN A 76 3.402 3.245 10.240 1.00 0.30 N ATOM 1100 CA ASN A 76 2.183 3.458 9.470 1.00 0.37 C ATOM 1101 C ASN A 76 2.412 4.539 8.419 1.00 0.42 C ATOM 1102 O ASN A 76 3.380 5.294 8.504 1.00 0.58 O ATOM 1103 CB ASN A 76 1.028 3.855 10.392 1.00 0.46 C ATOM 1104 CG ASN A 76 0.710 2.784 11.419 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.590 2.039 11.850 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.555 2.702 11.815 1.00 2.08 N ATOM 0 H ASN A 76 3.349 3.550 11.212 1.00 0.30 H new ATOM 0 HA ASN A 76 1.920 2.526 8.969 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.280 4.783 10.905 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.140 4.054 9.792 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.830 2.001 12.503 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.252 3.340 11.431 1.00 2.08 H new ATOM 1113 N VAL A 77 1.529 4.610 7.428 1.00 0.35 N ATOM 1114 CA VAL A 77 1.658 5.608 6.371 1.00 0.43 C ATOM 1115 C VAL A 77 0.329 6.291 6.078 1.00 0.53 C ATOM 1116 O VAL A 77 0.246 7.159 5.208 1.00 0.67 O ATOM 1117 CB VAL A 77 2.201 4.992 5.069 1.00 0.47 C ATOM 1118 CG1 VAL A 77 3.690 4.706 5.193 1.00 0.45 C ATOM 1119 CG2 VAL A 77 1.434 3.726 4.718 1.00 0.53 C ATOM 0 H VAL A 77 0.722 3.993 7.334 1.00 0.35 H new ATOM 0 HA VAL A 77 2.368 6.349 6.737 1.00 0.43 H new ATOM 0 HB VAL A 77 2.060 5.711 4.262 1.00 0.47 H new ATOM 0 HG11 VAL A 77 4.056 4.271 4.263 1.00 0.45 H new ATOM 0 HG12 VAL A 77 4.224 5.635 5.393 1.00 0.45 H new ATOM 0 HG13 VAL A 77 3.859 4.007 6.012 1.00 0.45 H new ATOM 0 HG21 VAL A 77 1.831 3.304 3.795 1.00 0.53 H new ATOM 0 HG22 VAL A 77 1.541 3.000 5.524 1.00 0.53 H new ATOM 0 HG23 VAL A 77 0.379 3.965 4.583 1.00 0.53 H new ATOM 1129 N GLN A 78 -0.711 5.894 6.801 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.029 6.473 6.620 1.00 0.72 C ATOM 1131 C GLN A 78 -2.223 7.658 7.562 1.00 0.61 C ATOM 1132 O GLN A 78 -2.337 7.488 8.777 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.100 5.405 6.857 1.00 0.93 C ATOM 1134 CG GLN A 78 -4.438 5.968 7.291 1.00 0.62 C ATOM 1135 CD GLN A 78 -5.531 4.917 7.330 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -5.753 4.273 8.355 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -6.218 4.738 6.208 1.00 1.05 N ATOM 0 H GLN A 78 -0.663 5.171 7.519 1.00 0.59 H new ATOM 0 HA GLN A 78 -2.122 6.838 5.597 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.237 4.832 5.940 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -2.745 4.710 7.618 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -4.335 6.416 8.279 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.731 6.765 6.608 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.999 5.295 5.382 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.964 4.044 6.172 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.249 8.859 6.993 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.427 10.057 7.792 1.00 0.48 C ATOM 1148 C GLY A 79 -1.327 11.077 7.563 1.00 0.41 C ATOM 1149 O GLY A 79 -1.449 12.231 7.971 1.00 0.55 O ATOM 0 H GLY A 79 -2.150 9.024 5.991 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -3.391 10.508 7.556 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.452 9.786 8.847 1.00 0.48 H new ATOM 1153 N MET A 80 -0.252 10.649 6.905 1.00 0.32 N ATOM 1154 CA MET A 80 0.874 11.533 6.622 1.00 0.33 C ATOM 1155 C MET A 80 0.892 11.942 5.152 1.00 0.30 C ATOM 1156 O MET A 80 0.309 11.268 4.302 1.00 0.34 O ATOM 1157 CB MET A 80 2.191 10.847 6.994 1.00 0.39 C ATOM 1158 CG MET A 80 2.358 10.622 8.487 1.00 0.46 C ATOM 1159 SD MET A 80 3.912 9.804 8.900 1.00 0.52 S ATOM 1160 CE MET A 80 3.673 8.205 8.130 1.00 0.48 C ATOM 0 H MET A 80 -0.138 9.696 6.559 1.00 0.32 H new ATOM 0 HA MET A 80 0.759 12.434 7.225 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.248 9.887 6.482 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.022 11.452 6.631 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.309 11.581 9.002 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.527 10.020 8.855 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.456 7.522 8.459 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.700 7.806 8.415 1.00 0.48 H new ATOM 0 HE3 MET A 80 3.718 8.313 7.046 1.00 0.48 H new ATOM 1170 N ALA A 81 1.566 13.052 4.859 1.00 0.29 N ATOM 1171 CA ALA A 81 1.661 13.556 3.492 1.00 0.31 C ATOM 1172 C ALA A 81 2.418 12.584 2.594 1.00 0.26 C ATOM 1173 O ALA A 81 3.135 11.709 3.079 1.00 0.23 O ATOM 1174 CB ALA A 81 2.333 14.921 3.477 1.00 0.39 C ATOM 0 H ALA A 81 2.055 13.620 5.551 1.00 0.29 H new ATOM 0 HA ALA A 81 0.648 13.655 3.101 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.397 15.284 2.451 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.748 15.621 4.074 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.336 14.837 3.895 1.00 0.39 H new ATOM 1180 N GLN A 82 2.257 12.744 1.284 1.00 0.33 N ATOM 1181 CA GLN A 82 2.924 11.874 0.318 1.00 0.35 C ATOM 1182 C GLN A 82 4.436 11.891 0.515 1.00 0.31 C ATOM 1183 O GLN A 82 5.080 10.841 0.532 1.00 0.31 O ATOM 1184 CB GLN A 82 2.580 12.303 -1.109 1.00 0.42 C ATOM 1185 CG GLN A 82 3.252 11.458 -2.180 1.00 0.51 C ATOM 1186 CD GLN A 82 2.860 11.877 -3.583 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.506 12.730 -4.192 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.796 11.277 -4.105 1.00 0.74 N ATOM 0 H GLN A 82 1.671 13.467 0.866 1.00 0.33 H new ATOM 0 HA GLN A 82 2.568 10.857 0.482 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.500 12.252 -1.244 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.870 13.345 -1.246 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.334 11.533 -2.071 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.988 10.411 -2.030 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.290 10.575 -3.565 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.485 11.518 -5.046 1.00 0.74 H new ATOM 1197 N SER A 83 4.996 13.088 0.664 1.00 0.32 N ATOM 1198 CA SER A 83 6.434 13.245 0.853 1.00 0.35 C ATOM 1199 C SER A 83 6.934 12.388 2.012 1.00 0.30 C ATOM 1200 O SER A 83 7.995 11.770 1.927 1.00 0.35 O ATOM 1201 CB SER A 83 6.780 14.713 1.106 1.00 0.44 C ATOM 1202 OG SER A 83 6.147 15.192 2.280 1.00 1.48 O ATOM 0 H SER A 83 4.475 13.965 0.657 1.00 0.32 H new ATOM 0 HA SER A 83 6.929 12.912 -0.059 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.860 14.824 1.201 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.471 15.315 0.251 1.00 0.44 H new ATOM 0 HG SER A 83 6.386 16.132 2.420 1.00 1.48 H new ATOM 1208 N ASP A 84 6.163 12.354 3.095 1.00 0.24 N ATOM 1209 CA ASP A 84 6.530 11.571 4.271 1.00 0.24 C ATOM 1210 C ASP A 84 6.516 10.076 3.963 1.00 0.20 C ATOM 1211 O ASP A 84 7.425 9.344 4.355 1.00 0.24 O ATOM 1212 CB ASP A 84 5.576 11.870 5.429 1.00 0.27 C ATOM 1213 CG ASP A 84 5.658 13.312 5.889 1.00 1.03 C ATOM 1214 OD1 ASP A 84 4.940 14.159 5.318 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.440 13.594 6.822 1.00 0.97 O ATOM 0 H ASP A 84 5.281 12.859 3.183 1.00 0.24 H new ATOM 0 HA ASP A 84 7.543 11.855 4.558 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.554 11.648 5.121 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.807 11.211 6.266 1.00 0.27 H new ATOM 1220 N VAL A 85 5.478 9.632 3.260 1.00 0.19 N ATOM 1221 CA VAL A 85 5.340 8.223 2.903 1.00 0.22 C ATOM 1222 C VAL A 85 6.537 7.735 2.092 1.00 0.21 C ATOM 1223 O VAL A 85 7.012 6.617 2.286 1.00 0.24 O ATOM 1224 CB VAL A 85 4.048 7.971 2.102 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.896 6.493 1.777 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.837 8.479 2.870 1.00 0.30 C ATOM 0 H VAL A 85 4.720 10.227 2.926 1.00 0.19 H new ATOM 0 HA VAL A 85 5.293 7.665 3.838 1.00 0.22 H new ATOM 0 HB VAL A 85 4.115 8.520 1.163 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.977 6.337 1.211 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.748 6.161 1.184 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.853 5.919 2.703 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.934 8.293 2.289 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.768 7.959 3.826 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.941 9.550 3.046 1.00 0.30 H new ATOM 1236 N VAL A 86 7.020 8.576 1.183 1.00 0.22 N ATOM 1237 CA VAL A 86 8.162 8.220 0.346 1.00 0.25 C ATOM 1238 C VAL A 86 9.441 8.117 1.174 1.00 0.24 C ATOM 1239 O VAL A 86 10.230 7.188 0.998 1.00 0.26 O ATOM 1240 CB VAL A 86 8.375 9.243 -0.787 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.572 8.854 -1.642 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.120 9.366 -1.638 1.00 0.34 C ATOM 0 H VAL A 86 6.640 9.506 1.007 1.00 0.22 H new ATOM 0 HA VAL A 86 7.938 7.248 -0.094 1.00 0.25 H new ATOM 0 HB VAL A 86 8.580 10.215 -0.339 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.706 9.588 -2.436 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.468 8.823 -1.022 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.401 7.871 -2.082 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.289 10.093 -2.433 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.882 8.397 -2.077 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.289 9.697 -1.015 1.00 0.34 H new ATOM 1252 N GLU A 87 9.641 9.076 2.073 1.00 0.25 N ATOM 1253 CA GLU A 87 10.826 9.090 2.925 1.00 0.26 C ATOM 1254 C GLU A 87 10.933 7.799 3.732 1.00 0.24 C ATOM 1255 O GLU A 87 12.010 7.221 3.851 1.00 0.26 O ATOM 1256 CB GLU A 87 10.797 10.295 3.868 1.00 0.32 C ATOM 1257 CG GLU A 87 10.971 11.627 3.157 1.00 0.75 C ATOM 1258 CD GLU A 87 10.845 12.810 4.097 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.875 13.230 4.664 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.716 13.316 4.266 1.00 1.51 O ATOM 0 H GLU A 87 8.999 9.853 2.230 1.00 0.25 H new ATOM 0 HA GLU A 87 11.701 9.168 2.280 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.850 10.301 4.407 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.586 10.183 4.611 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.949 11.653 2.675 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.224 11.714 2.368 1.00 0.75 H new ATOM 1267 N VAL A 88 9.807 7.357 4.284 1.00 0.22 N ATOM 1268 CA VAL A 88 9.772 6.132 5.077 1.00 0.22 C ATOM 1269 C VAL A 88 10.185 4.925 4.244 1.00 0.23 C ATOM 1270 O VAL A 88 11.108 4.192 4.607 1.00 0.25 O ATOM 1271 CB VAL A 88 8.364 5.881 5.654 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.279 4.498 6.285 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.002 6.958 6.664 1.00 0.27 C ATOM 0 H VAL A 88 8.907 7.829 4.197 1.00 0.22 H new ATOM 0 HA VAL A 88 10.479 6.264 5.896 1.00 0.22 H new ATOM 0 HB VAL A 88 7.645 5.924 4.836 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.277 4.342 6.686 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.490 3.740 5.530 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.008 4.420 7.091 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.005 6.765 7.061 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.725 6.950 7.480 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.016 7.933 6.177 1.00 0.27 H new ATOM 1283 N LEU A 89 9.493 4.724 3.128 1.00 0.24 N ATOM 1284 CA LEU A 89 9.773 3.601 2.241 1.00 0.28 C ATOM 1285 C LEU A 89 11.250 3.551 1.859 1.00 0.32 C ATOM 1286 O LEU A 89 11.790 2.483 1.570 1.00 0.39 O ATOM 1287 CB LEU A 89 8.909 3.698 0.981 1.00 0.32 C ATOM 1288 CG LEU A 89 7.398 3.629 1.221 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.639 3.925 -0.064 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.004 2.265 1.768 1.00 0.35 C ATOM 0 H LEU A 89 8.732 5.326 2.815 1.00 0.24 H new ATOM 0 HA LEU A 89 9.531 2.682 2.775 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.138 4.635 0.474 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.191 2.892 0.304 1.00 0.32 H new ATOM 0 HG LEU A 89 7.134 4.386 1.960 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.567 3.871 0.126 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.896 4.924 -0.416 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.910 3.192 -0.824 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.927 2.236 1.932 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.283 1.492 1.052 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.519 2.089 2.712 1.00 0.35 H new ATOM 1302 N ARG A 90 11.899 4.713 1.861 1.00 0.31 N ATOM 1303 CA ARG A 90 13.314 4.800 1.511 1.00 0.37 C ATOM 1304 C ARG A 90 14.201 4.615 2.740 1.00 0.37 C ATOM 1305 O ARG A 90 15.336 4.150 2.633 1.00 0.48 O ATOM 1306 CB ARG A 90 13.613 6.144 0.847 1.00 0.41 C ATOM 1307 CG ARG A 90 12.895 6.337 -0.479 1.00 0.49 C ATOM 1308 CD ARG A 90 13.251 7.670 -1.119 1.00 0.72 C ATOM 1309 NE ARG A 90 12.922 8.800 -0.253 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.515 9.988 -0.337 1.00 1.59 C ATOM 1311 NH1 ARG A 90 14.465 10.196 -1.239 1.00 1.82 N ATOM 1312 NH2 ARG A 90 13.159 10.967 0.482 1.00 2.10 N ATOM 0 H ARG A 90 11.468 5.606 2.101 1.00 0.31 H new ATOM 0 HA ARG A 90 13.536 3.996 0.809 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.328 6.947 1.526 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.688 6.230 0.685 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.158 5.525 -1.157 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.818 6.285 -0.321 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.316 7.688 -1.349 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.719 7.771 -2.065 1.00 0.72 H new ATOM 0 HE ARG A 90 12.198 8.671 0.454 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.742 9.444 -1.870 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.918 11.108 -1.301 1.00 1.82 H new ATOM 0 HH21 ARG A 90 12.430 10.810 1.178 1.00 2.10 H new ATOM 0 HH22 ARG A 90 13.614 11.877 0.417 1.00 2.10 H new ATOM 1326 N ASN A 91 13.679 4.983 3.907 1.00 0.32 N ATOM 1327 CA ASN A 91 14.429 4.852 5.152 1.00 0.36 C ATOM 1328 C ASN A 91 14.503 3.393 5.585 1.00 0.36 C ATOM 1329 O ASN A 91 15.306 3.030 6.446 1.00 0.42 O ATOM 1330 CB ASN A 91 13.783 5.691 6.256 1.00 0.38 C ATOM 1331 CG ASN A 91 13.922 7.180 6.012 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.900 7.636 5.419 1.00 1.11 O ATOM 1333 ND2 ASN A 91 12.941 7.949 6.469 1.00 1.14 N ATOM 0 H ASN A 91 12.743 5.373 4.016 1.00 0.32 H new ATOM 0 HA ASN A 91 15.441 5.216 4.978 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.726 5.436 6.330 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.240 5.439 7.213 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.980 8.959 6.334 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.148 7.530 6.955 1.00 1.14 H new ATOM 1340 N ALA A 92 13.657 2.563 4.983 1.00 0.32 N ATOM 1341 CA ALA A 92 13.620 1.140 5.299 1.00 0.34 C ATOM 1342 C ALA A 92 14.999 0.501 5.150 1.00 0.46 C ATOM 1343 O ALA A 92 15.718 0.322 6.134 1.00 0.55 O ATOM 1344 CB ALA A 92 12.610 0.431 4.409 1.00 0.32 C ATOM 0 H ALA A 92 12.986 2.853 4.272 1.00 0.32 H new ATOM 0 HA ALA A 92 13.314 1.034 6.340 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.591 -0.631 4.654 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.620 0.858 4.570 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.894 0.557 3.364 1.00 0.32 H new ATOM 1350 N GLY A 93 15.364 0.159 3.917 1.00 0.53 N ATOM 1351 CA GLY A 93 16.654 -0.464 3.672 1.00 0.68 C ATOM 1352 C GLY A 93 16.796 -1.788 4.397 1.00 0.66 C ATOM 1353 O GLY A 93 17.905 -2.295 4.573 1.00 0.76 O ATOM 0 H GLY A 93 14.791 0.302 3.085 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.782 -0.622 2.601 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.448 0.211 3.992 1.00 0.68 H new ATOM 1357 N ASN A 94 15.667 -2.346 4.822 1.00 0.54 N ATOM 1358 CA ASN A 94 15.653 -3.618 5.538 1.00 0.54 C ATOM 1359 C ASN A 94 14.382 -4.413 5.215 1.00 0.43 C ATOM 1360 O ASN A 94 13.482 -3.902 4.547 1.00 0.39 O ATOM 1361 CB ASN A 94 15.755 -3.354 7.046 1.00 0.59 C ATOM 1362 CG ASN A 94 14.865 -2.213 7.505 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.731 -2.032 6.837 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 15.192 -1.502 8.457 1.00 2.52 N flip ATOM 0 H ASN A 94 14.744 -1.935 4.682 1.00 0.54 H new ATOM 0 HA ASN A 94 16.508 -4.214 5.218 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.485 -4.260 7.588 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.790 -3.127 7.301 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.072 -1.674 8.944 1.00 2.52 H new ATOM 0 HD22 ASN A 94 14.583 -0.741 8.758 1.00 2.52 H new ATOM 1371 N PRO A 95 14.300 -5.691 5.647 1.00 0.41 N ATOM 1372 CA PRO A 95 13.108 -6.517 5.417 1.00 0.35 C ATOM 1373 C PRO A 95 11.859 -5.879 6.019 1.00 0.32 C ATOM 1374 O PRO A 95 11.659 -5.914 7.234 1.00 0.45 O ATOM 1375 CB PRO A 95 13.432 -7.830 6.136 1.00 0.44 C ATOM 1376 CG PRO A 95 14.919 -7.869 6.214 1.00 0.64 C ATOM 1377 CD PRO A 95 15.360 -6.439 6.350 1.00 0.51 C ATOM 0 HA PRO A 95 12.895 -6.645 4.356 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.984 -7.857 7.129 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.043 -8.687 5.587 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.250 -8.463 7.066 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.345 -8.326 5.321 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.439 -6.140 7.395 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.337 -6.274 5.897 1.00 0.51 H new ATOM 1385 N VAL A 96 11.020 -5.300 5.166 1.00 0.28 N ATOM 1386 CA VAL A 96 9.801 -4.643 5.623 1.00 0.33 C ATOM 1387 C VAL A 96 8.548 -5.381 5.165 1.00 0.28 C ATOM 1388 O VAL A 96 8.563 -6.096 4.163 1.00 0.30 O ATOM 1389 CB VAL A 96 9.729 -3.189 5.121 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.819 -2.346 5.763 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.833 -3.140 3.603 1.00 0.38 C ATOM 0 H VAL A 96 11.162 -5.272 4.156 1.00 0.28 H new ATOM 0 HA VAL A 96 9.839 -4.654 6.712 1.00 0.33 H new ATOM 0 HB VAL A 96 8.763 -2.774 5.410 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.751 -1.322 5.395 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.693 -2.352 6.846 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.795 -2.759 5.509 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.780 -2.104 3.268 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.782 -3.575 3.289 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.012 -3.706 3.164 1.00 0.38 H new ATOM 1401 N ARG A 97 7.464 -5.196 5.913 1.00 0.24 N ATOM 1402 CA ARG A 97 6.188 -5.820 5.597 1.00 0.22 C ATOM 1403 C ARG A 97 5.184 -4.759 5.161 1.00 0.18 C ATOM 1404 O ARG A 97 5.201 -3.633 5.662 1.00 0.18 O ATOM 1405 CB ARG A 97 5.650 -6.584 6.811 1.00 0.27 C ATOM 1406 CG ARG A 97 4.323 -7.279 6.557 1.00 0.69 C ATOM 1407 CD ARG A 97 3.802 -7.963 7.811 1.00 0.71 C ATOM 1408 NE ARG A 97 3.583 -7.016 8.901 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.791 -7.258 9.941 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.146 -8.413 10.035 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.645 -6.343 10.890 1.00 2.37 N ATOM 0 H ARG A 97 7.447 -4.613 6.750 1.00 0.24 H new ATOM 0 HA ARG A 97 6.338 -6.526 4.781 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.386 -7.327 7.117 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.533 -5.890 7.643 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.591 -6.551 6.208 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.443 -8.016 5.763 1.00 0.69 H new ATOM 0 HD2 ARG A 97 2.867 -8.475 7.583 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.513 -8.725 8.130 1.00 0.71 H new ATOM 0 HE ARG A 97 4.065 -6.118 8.862 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.257 -9.120 9.308 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.539 -8.595 10.835 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.140 -5.454 10.822 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.037 -6.528 11.688 1.00 2.37 H new ATOM 1425 N LEU A 98 4.316 -5.119 4.225 1.00 0.19 N ATOM 1426 CA LEU A 98 3.317 -4.190 3.717 1.00 0.18 C ATOM 1427 C LEU A 98 1.915 -4.583 4.171 1.00 0.18 C ATOM 1428 O LEU A 98 1.468 -5.706 3.933 1.00 0.30 O ATOM 1429 CB LEU A 98 3.370 -4.146 2.189 1.00 0.23 C ATOM 1430 CG LEU A 98 4.764 -3.954 1.586 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.719 -4.153 0.079 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.312 -2.575 1.919 1.00 0.37 C ATOM 0 H LEU A 98 4.284 -6.047 3.803 1.00 0.19 H new ATOM 0 HA LEU A 98 3.543 -3.202 4.118 1.00 0.18 H new ATOM 0 HB2 LEU A 98 2.949 -5.074 1.801 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.728 -3.336 1.843 1.00 0.23 H new ATOM 0 HG LEU A 98 5.429 -4.700 2.020 1.00 0.25 H new ATOM 0 HD11 LEU A 98 5.717 -4.013 -0.336 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.371 -5.161 -0.145 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.037 -3.427 -0.364 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.303 -2.462 1.480 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.647 -1.812 1.515 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.379 -2.462 3.001 1.00 0.37 H new ATOM 1444 N LEU A 99 1.226 -3.655 4.827 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.131 -3.901 5.301 1.00 0.19 C ATOM 1446 C LEU A 99 -1.129 -3.081 4.492 1.00 0.19 C ATOM 1447 O LEU A 99 -1.296 -1.884 4.724 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.253 -3.556 6.788 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.583 -3.951 7.436 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.729 -5.465 7.479 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.689 -3.363 8.836 1.00 0.36 C ATOM 0 H LEU A 99 1.585 -2.725 5.043 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.354 -4.960 5.170 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.557 -4.047 7.327 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.112 -2.482 6.909 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.394 -3.546 6.831 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.680 -5.726 7.943 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.699 -5.862 6.464 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.912 -5.893 8.061 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.640 -3.654 9.282 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.871 -3.738 9.451 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.632 -2.276 8.779 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.791 -3.734 3.543 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.765 -3.061 2.692 1.00 0.23 C ATOM 1465 C LEU A 100 -4.079 -3.834 2.631 1.00 0.24 C ATOM 1466 O LEU A 100 -4.129 -5.024 2.939 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.196 -2.879 1.281 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.250 -3.987 0.803 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.972 -5.323 0.724 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.648 -3.629 -0.546 1.00 0.31 C ATOM 0 H LEU A 100 -1.671 -4.727 3.344 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.970 -2.083 3.126 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -3.027 -2.807 0.579 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.663 -1.929 1.243 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.444 -4.079 1.531 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.279 -6.092 0.382 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.353 -5.590 1.710 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.803 -5.247 0.023 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.021 -4.427 -0.869 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.445 -3.504 -1.279 1.00 0.31 H new ATOM 0 HD23 LEU A 100 -0.087 -2.699 -0.459 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.141 -3.142 2.231 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.459 -3.751 2.123 1.00 0.29 C ATOM 1484 C ILE A 101 -6.941 -3.753 0.674 1.00 0.32 C ATOM 1485 O ILE A 101 -6.704 -2.798 -0.072 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.488 -3.016 3.008 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.882 -3.625 2.835 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.504 -1.531 2.678 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.917 -3.050 3.778 1.00 0.45 C ATOM 0 H ILE A 101 -5.112 -2.155 1.976 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.370 -4.780 2.470 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.194 -3.134 4.051 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.212 -3.469 1.808 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.820 -4.702 2.990 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.234 -1.026 3.310 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.515 -1.108 2.856 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.774 -1.394 1.631 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.879 -3.529 3.598 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.610 -3.229 4.808 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -10.008 -1.977 3.608 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.610 -4.833 0.283 1.00 0.39 N ATOM 1502 CA ARG A 102 -8.123 -4.969 -1.076 1.00 0.46 C ATOM 1503 C ARG A 102 -9.494 -5.640 -1.078 1.00 0.60 C ATOM 1504 O ARG A 102 -9.693 -6.668 -0.431 1.00 0.81 O ATOM 1505 CB ARG A 102 -7.142 -5.779 -1.928 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.640 -6.058 -3.339 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.802 -4.778 -4.143 1.00 1.35 C ATOM 1508 NE ARG A 102 -8.335 -5.037 -5.478 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.737 -4.083 -6.312 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -8.652 -2.807 -5.960 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -9.221 -4.405 -7.503 1.00 2.20 N ATOM 0 H ARG A 102 -7.810 -5.628 0.889 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.230 -3.971 -1.502 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.196 -5.241 -1.986 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.940 -6.727 -1.430 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.940 -6.721 -3.847 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.595 -6.581 -3.291 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.468 -4.098 -3.612 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.837 -4.278 -4.228 1.00 1.35 H new ATOM 0 HE ARG A 102 -8.403 -6.006 -5.788 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.277 -2.554 -5.046 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -8.962 -2.079 -6.603 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -9.285 -5.385 -7.780 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.530 -3.673 -8.143 1.00 2.20 H new