USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 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 32 SER OG : rot 72:sc= -0.859 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -129:sc= 0.732 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.421 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 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0482 (180deg=-0.281) USER MOD Single : A 24 THR OG1 : rot 116:sc= 0.736 USER MOD Single : A 25 SER OG : rot -39:sc= 0.898 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0679 (180deg=-0.392) USER MOD Single : A 55 SER OG : rot -66:sc= -0.117 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0845 K(o=0.084,f=-6!) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.56 F(o=-3.1!,f=-1.6) USER MOD Single : A 80 MET CE :methyl -157:sc= -2.92! (180deg=-3.95) 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 :FLIP amide:sc= -0.326 F(o=-2.3,f=-0.33) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.314 F(o=-1.5,f=0.31) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.824 -7.170 1.590 1.00 0.55 N ATOM 139 CA SER A 12 -10.100 -8.121 2.423 1.00 0.45 C ATOM 140 C SER A 12 -8.684 -7.629 2.702 1.00 0.39 C ATOM 141 O SER A 12 -8.030 -7.060 1.825 1.00 0.38 O ATOM 142 CB SER A 12 -10.053 -9.492 1.745 1.00 0.51 C ATOM 143 OG SER A 12 -9.334 -10.426 2.531 1.00 0.90 O ATOM 0 HA SER A 12 -10.628 -8.212 3.372 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.068 -9.855 1.581 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.585 -9.400 0.765 1.00 0.51 H new ATOM 0 HG SER A 12 -9.320 -11.294 2.076 1.00 0.90 H new ATOM 149 N LEU A 13 -8.221 -7.845 3.928 1.00 0.41 N ATOM 150 CA LEU A 13 -6.882 -7.428 4.325 1.00 0.40 C ATOM 151 C LEU A 13 -5.836 -8.409 3.811 1.00 0.45 C ATOM 152 O LEU A 13 -5.878 -9.598 4.130 1.00 0.68 O ATOM 153 CB LEU A 13 -6.790 -7.320 5.847 1.00 0.56 C ATOM 154 CG LEU A 13 -7.765 -6.332 6.486 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.770 -6.491 7.998 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.400 -4.907 6.101 1.00 0.79 C ATOM 0 H LEU A 13 -8.754 -8.307 4.665 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.686 -6.450 3.886 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.963 -8.307 6.277 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.774 -7.029 6.115 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.768 -6.545 6.116 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.470 -5.780 8.436 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.074 -7.505 8.256 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.769 -6.302 8.387 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.103 -4.214 6.563 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.390 -4.684 6.446 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.445 -4.800 5.017 1.00 0.79 H new ATOM 168 N TYR A 14 -4.901 -7.906 3.014 1.00 0.36 N ATOM 169 CA TYR A 14 -3.843 -8.740 2.456 1.00 0.50 C ATOM 170 C TYR A 14 -2.475 -8.327 2.991 1.00 0.31 C ATOM 171 O TYR A 14 -2.107 -7.151 2.955 1.00 0.37 O ATOM 172 CB TYR A 14 -3.858 -8.666 0.929 1.00 0.80 C ATOM 173 CG TYR A 14 -4.961 -9.486 0.297 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.237 -8.961 0.141 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.728 -10.784 -0.146 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.249 -9.703 -0.438 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.736 -11.531 -0.726 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.986 -11.000 -0.865 1.00 1.98 C ATOM 179 OH TYR A 14 -7.999 -11.729 -1.446 1.00 2.73 O ATOM 0 H TYR A 14 -4.854 -6.925 2.739 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.029 -9.769 2.763 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.969 -7.625 0.624 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.896 -9.009 0.547 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.442 -7.956 0.478 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.744 -11.215 -0.035 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.235 -9.279 -0.558 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.535 -12.535 -1.069 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.663 -12.616 -1.694 1.00 2.73 H new ATOM 189 N SER A 15 -1.727 -9.307 3.487 1.00 0.43 N ATOM 190 CA SER A 15 -0.399 -9.055 4.035 1.00 0.38 C ATOM 191 C SER A 15 0.687 -9.443 3.040 1.00 0.33 C ATOM 192 O SER A 15 0.609 -10.489 2.393 1.00 0.41 O ATOM 193 CB SER A 15 -0.209 -9.827 5.340 1.00 0.59 C ATOM 194 OG SER A 15 1.081 -9.602 5.882 1.00 1.19 O ATOM 0 H SER A 15 -2.018 -10.284 3.521 1.00 0.43 H new ATOM 0 HA SER A 15 -0.315 -7.987 4.235 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.968 -9.522 6.060 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.350 -10.893 5.160 1.00 0.59 H new ATOM 0 HG SER A 15 1.177 -10.105 6.717 1.00 1.19 H new ATOM 200 N VAL A 16 1.702 -8.593 2.923 1.00 0.32 N ATOM 201 CA VAL A 16 2.812 -8.840 2.012 1.00 0.33 C ATOM 202 C VAL A 16 4.146 -8.640 2.727 1.00 0.31 C ATOM 203 O VAL A 16 4.213 -7.957 3.750 1.00 0.44 O ATOM 204 CB VAL A 16 2.746 -7.909 0.784 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.686 -8.394 -0.308 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.319 -7.811 0.262 1.00 0.56 C ATOM 0 H VAL A 16 1.778 -7.723 3.451 1.00 0.32 H new ATOM 0 HA VAL A 16 2.733 -9.873 1.672 1.00 0.33 H new ATOM 0 HB VAL A 16 3.066 -6.913 1.091 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.624 -7.724 -1.165 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.708 -8.406 0.071 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.400 -9.401 -0.613 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.293 -7.150 -0.604 1.00 0.56 H new ATOM 0 HG22 VAL A 16 0.968 -8.802 -0.027 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.672 -7.411 1.043 1.00 0.56 H new ATOM 216 N GLU A 17 5.206 -9.239 2.190 1.00 0.33 N ATOM 217 CA GLU A 17 6.532 -9.125 2.791 1.00 0.34 C ATOM 218 C GLU A 17 7.601 -8.875 1.730 1.00 0.32 C ATOM 219 O GLU A 17 7.884 -9.742 0.903 1.00 0.38 O ATOM 220 CB GLU A 17 6.865 -10.392 3.581 1.00 0.45 C ATOM 221 CG GLU A 17 5.892 -10.674 4.715 1.00 0.71 C ATOM 222 CD GLU A 17 6.254 -11.920 5.498 1.00 1.18 C ATOM 223 OE1 GLU A 17 5.809 -13.019 5.103 1.00 1.42 O ATOM 224 OE2 GLU A 17 6.983 -11.799 6.504 1.00 1.74 O ATOM 0 H GLU A 17 5.173 -9.806 1.343 1.00 0.33 H new ATOM 0 HA GLU A 17 6.521 -8.272 3.469 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.873 -11.243 2.900 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.871 -10.301 3.990 1.00 0.45 H new ATOM 0 HG2 GLU A 17 5.870 -9.819 5.390 1.00 0.71 H new ATOM 0 HG3 GLU A 17 4.887 -10.785 4.307 1.00 0.71 H new ATOM 231 N LEU A 18 8.194 -7.684 1.766 1.00 0.31 N ATOM 232 CA LEU A 18 9.237 -7.313 0.815 1.00 0.34 C ATOM 233 C LEU A 18 10.517 -6.919 1.544 1.00 0.38 C ATOM 234 O LEU A 18 10.511 -6.711 2.755 1.00 0.68 O ATOM 235 CB LEU A 18 8.772 -6.154 -0.074 1.00 0.40 C ATOM 236 CG LEU A 18 8.103 -6.559 -1.392 1.00 0.46 C ATOM 237 CD1 LEU A 18 9.062 -7.366 -2.255 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.830 -7.347 -1.126 1.00 0.71 C ATOM 0 H LEU A 18 7.969 -6.958 2.446 1.00 0.31 H new ATOM 0 HA LEU A 18 9.441 -8.181 0.188 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.073 -5.541 0.495 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.633 -5.526 -0.302 1.00 0.40 H new ATOM 0 HG LEU A 18 7.837 -5.651 -1.934 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.568 -7.644 -3.186 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.944 -6.766 -2.477 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.362 -8.267 -1.720 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.370 -7.625 -2.074 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.071 -8.248 -0.561 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.136 -6.734 -0.552 1.00 0.71 H new ATOM 250 N PHE A 19 11.613 -6.827 0.800 1.00 0.41 N ATOM 251 CA PHE A 19 12.899 -6.458 1.380 1.00 0.43 C ATOM 252 C PHE A 19 13.678 -5.541 0.444 1.00 0.49 C ATOM 253 O PHE A 19 13.807 -5.820 -0.748 1.00 0.59 O ATOM 254 CB PHE A 19 13.719 -7.712 1.695 1.00 0.48 C ATOM 255 CG PHE A 19 13.884 -8.641 0.523 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.913 -9.583 0.226 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.010 -8.568 -0.282 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.060 -10.436 -0.851 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.163 -9.419 -1.361 1.00 2.08 C ATOM 260 CZ PHE A 19 14.192 -10.358 -1.640 1.00 1.94 C ATOM 0 H PHE A 19 11.637 -7.002 -0.204 1.00 0.41 H new ATOM 0 HA PHE A 19 12.710 -5.917 2.307 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.705 -7.410 2.049 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.239 -8.253 2.511 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.030 -9.652 0.844 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.776 -7.839 -0.064 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.292 -11.162 -1.076 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.042 -9.349 -1.985 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.316 -11.032 -2.475 1.00 1.94 H new ATOM 270 N ARG A 20 14.190 -4.438 0.987 1.00 0.52 N ATOM 271 CA ARG A 20 14.962 -3.490 0.188 1.00 0.66 C ATOM 272 C ARG A 20 16.457 -3.652 0.445 1.00 0.68 C ATOM 273 O ARG A 20 17.004 -3.060 1.375 1.00 0.83 O ATOM 274 CB ARG A 20 14.532 -2.052 0.491 1.00 0.73 C ATOM 275 CG ARG A 20 15.285 -1.011 -0.324 1.00 0.99 C ATOM 276 CD ARG A 20 14.944 0.405 0.114 1.00 1.19 C ATOM 277 NE ARG A 20 13.593 0.798 -0.278 1.00 1.60 N ATOM 278 CZ ARG A 20 13.308 1.945 -0.891 1.00 2.26 C ATOM 279 NH1 ARG A 20 14.278 2.797 -1.195 1.00 2.52 N ATOM 280 NH2 ARG A 20 12.053 2.241 -1.199 1.00 3.06 N ATOM 0 H ARG A 20 14.085 -4.181 1.968 1.00 0.52 H new ATOM 0 HA ARG A 20 14.766 -3.702 -0.863 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.464 -1.952 0.297 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.683 -1.851 1.552 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.358 -1.175 -0.221 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.044 -1.133 -1.380 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.042 0.481 1.197 1.00 1.19 H new ATOM 0 HD3 ARG A 20 15.662 1.100 -0.321 1.00 1.19 H new ATOM 0 HE ARG A 20 12.826 0.159 -0.071 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.245 2.574 -0.959 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.057 3.675 -1.665 1.00 2.52 H new ATOM 0 HH21 ARG A 20 11.303 1.589 -0.966 1.00 3.06 H new ATOM 0 HH22 ARG A 20 11.837 3.120 -1.669 1.00 3.06 H new ATOM 294 N GLU A 21 17.115 -4.457 -0.385 1.00 0.82 N ATOM 295 CA GLU A 21 18.548 -4.694 -0.245 1.00 0.93 C ATOM 296 C GLU A 21 19.263 -4.497 -1.578 1.00 1.16 C ATOM 297 O GLU A 21 20.481 -4.648 -1.668 1.00 1.57 O ATOM 298 CB GLU A 21 18.805 -6.107 0.282 1.00 1.09 C ATOM 299 CG GLU A 21 18.323 -7.204 -0.655 1.00 1.62 C ATOM 300 CD GLU A 21 18.626 -8.593 -0.130 1.00 2.00 C ATOM 301 OE1 GLU A 21 17.879 -9.070 0.750 1.00 2.58 O ATOM 302 OE2 GLU A 21 19.612 -9.201 -0.597 1.00 2.21 O ATOM 0 H GLU A 21 16.679 -4.956 -1.161 1.00 0.82 H new ATOM 0 HA GLU A 21 18.943 -3.972 0.470 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.874 -6.232 0.455 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.310 -6.221 1.247 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.248 -7.103 -0.805 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.794 -7.077 -1.630 1.00 1.62 H new ATOM 309 N LYS A 22 18.495 -4.157 -2.608 1.00 1.11 N ATOM 310 CA LYS A 22 19.050 -3.937 -3.939 1.00 1.40 C ATOM 311 C LYS A 22 19.492 -2.487 -4.111 1.00 1.31 C ATOM 312 O LYS A 22 19.065 -1.605 -3.366 1.00 1.38 O ATOM 313 CB LYS A 22 18.014 -4.299 -5.009 1.00 1.65 C ATOM 314 CG LYS A 22 17.522 -5.737 -4.921 1.00 2.00 C ATOM 315 CD LYS A 22 18.630 -6.737 -5.220 1.00 2.54 C ATOM 316 CE LYS A 22 19.063 -6.678 -6.677 1.00 3.05 C ATOM 317 NZ LYS A 22 17.953 -7.035 -7.604 1.00 3.72 N ATOM 0 H LYS A 22 17.485 -4.028 -2.546 1.00 1.11 H new ATOM 0 HA LYS A 22 19.923 -4.579 -4.055 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.161 -3.626 -4.919 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.449 -4.133 -5.995 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.124 -5.924 -3.924 1.00 2.00 H new ATOM 0 HG3 LYS A 22 16.702 -5.883 -5.624 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.487 -6.534 -4.577 1.00 2.54 H new ATOM 0 HD3 LYS A 22 18.285 -7.744 -4.983 1.00 2.54 H new ATOM 0 HE2 LYS A 22 19.420 -5.675 -6.909 1.00 3.05 H new ATOM 0 HE3 LYS A 22 19.900 -7.359 -6.834 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.341 -7.247 -8.545 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 17.452 -7.870 -7.240 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 17.290 -6.237 -7.675 1.00 3.72 H new ATOM 331 N ASP A 23 20.349 -2.249 -5.100 1.00 1.46 N ATOM 332 CA ASP A 23 20.854 -0.907 -5.372 1.00 1.51 C ATOM 333 C ASP A 23 19.882 -0.129 -6.254 1.00 1.31 C ATOM 334 O ASP A 23 20.296 0.608 -7.150 1.00 1.58 O ATOM 335 CB ASP A 23 22.223 -0.983 -6.049 1.00 1.91 C ATOM 336 CG ASP A 23 23.250 -1.708 -5.201 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.320 -2.952 -5.289 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.983 -1.032 -4.450 1.00 2.87 O ATOM 0 H ASP A 23 20.708 -2.969 -5.727 1.00 1.46 H new ATOM 0 HA ASP A 23 20.954 -0.384 -4.421 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.123 -1.492 -7.008 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.577 0.026 -6.260 1.00 1.91 H new ATOM 343 N THR A 24 18.589 -0.293 -5.992 1.00 1.02 N ATOM 344 CA THR A 24 17.559 0.394 -6.763 1.00 0.98 C ATOM 345 C THR A 24 17.075 1.646 -6.042 1.00 1.01 C ATOM 346 O THR A 24 16.491 2.540 -6.655 1.00 1.16 O ATOM 347 CB THR A 24 16.354 -0.525 -7.035 1.00 1.17 C ATOM 348 OG1 THR A 24 15.720 -0.882 -5.800 1.00 1.38 O ATOM 349 CG2 THR A 24 16.792 -1.785 -7.766 1.00 1.19 C ATOM 0 H THR A 24 18.230 -0.896 -5.252 1.00 1.02 H new ATOM 0 HA THR A 24 18.013 0.677 -7.713 1.00 0.98 H new ATOM 0 HB THR A 24 15.646 0.016 -7.663 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.812 -0.514 -5.780 1.00 1.38 H new ATOM 0 HG21 THR A 24 15.925 -2.420 -7.948 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.249 -1.513 -8.718 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.516 -2.326 -7.157 1.00 1.19 H new ATOM 357 N SER A 25 17.324 1.700 -4.735 1.00 1.05 N ATOM 358 CA SER A 25 16.921 2.840 -3.916 1.00 1.35 C ATOM 359 C SER A 25 15.417 3.086 -4.014 1.00 1.17 C ATOM 360 O SER A 25 14.931 4.160 -3.661 1.00 1.39 O ATOM 361 CB SER A 25 17.687 4.095 -4.344 1.00 1.79 C ATOM 362 OG SER A 25 17.398 5.188 -3.488 1.00 2.45 O ATOM 0 H SER A 25 17.805 0.963 -4.219 1.00 1.05 H new ATOM 0 HA SER A 25 17.161 2.610 -2.878 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.758 3.893 -4.331 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.424 4.353 -5.370 1.00 1.79 H new ATOM 0 HG SER A 25 16.446 5.179 -3.256 1.00 2.45 H new ATOM 368 N SER A 26 14.685 2.081 -4.488 1.00 0.84 N ATOM 369 CA SER A 26 13.238 2.192 -4.633 1.00 0.72 C ATOM 370 C SER A 26 12.572 0.826 -4.514 1.00 0.58 C ATOM 371 O SER A 26 13.187 -0.203 -4.796 1.00 0.69 O ATOM 372 CB SER A 26 12.890 2.821 -5.983 1.00 0.81 C ATOM 373 OG SER A 26 13.482 4.102 -6.117 1.00 1.40 O ATOM 0 H SER A 26 15.070 1.182 -4.778 1.00 0.84 H new ATOM 0 HA SER A 26 12.865 2.830 -3.831 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.233 2.172 -6.789 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.808 2.905 -6.080 1.00 0.81 H new ATOM 0 HG SER A 26 13.246 4.482 -6.989 1.00 1.40 H new ATOM 379 N LEU A 27 11.309 0.824 -4.092 1.00 0.42 N ATOM 380 CA LEU A 27 10.553 -0.413 -3.937 1.00 0.32 C ATOM 381 C LEU A 27 9.580 -0.603 -5.096 1.00 0.29 C ATOM 382 O LEU A 27 9.132 -1.717 -5.365 1.00 0.41 O ATOM 383 CB LEU A 27 9.793 -0.414 -2.608 1.00 0.35 C ATOM 384 CG LEU A 27 10.653 -0.661 -1.366 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.847 -0.408 -0.103 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.205 -2.080 -1.373 1.00 0.43 C ATOM 0 H LEU A 27 10.789 1.668 -3.851 1.00 0.42 H new ATOM 0 HA LEU A 27 11.260 -1.243 -3.939 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.288 0.545 -2.496 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.018 -1.179 -2.652 1.00 0.35 H new ATOM 0 HG LEU A 27 11.493 0.034 -1.384 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.473 -0.588 0.771 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.500 0.625 -0.094 1.00 0.45 H new ATOM 0 HD13 LEU A 27 8.989 -1.079 -0.079 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.814 -2.238 -0.483 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.379 -2.792 -1.379 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.818 -2.228 -2.262 1.00 0.43 H new ATOM 398 N GLY A 28 9.258 0.493 -5.777 1.00 0.29 N ATOM 399 CA GLY A 28 8.344 0.426 -6.903 1.00 0.31 C ATOM 400 C GLY A 28 6.947 0.895 -6.552 1.00 0.29 C ATOM 401 O GLY A 28 6.039 0.835 -7.381 1.00 0.52 O ATOM 0 H GLY A 28 9.614 1.426 -5.569 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.733 1.036 -7.718 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.297 -0.600 -7.267 1.00 0.31 H new ATOM 405 N ILE A 29 6.772 1.363 -5.321 1.00 0.35 N ATOM 406 CA ILE A 29 5.473 1.843 -4.863 1.00 0.32 C ATOM 407 C ILE A 29 5.168 3.224 -5.432 1.00 0.30 C ATOM 408 O ILE A 29 5.781 4.216 -5.038 1.00 0.35 O ATOM 409 CB ILE A 29 5.412 1.907 -3.323 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.788 0.553 -2.711 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.027 2.340 -2.862 1.00 0.36 C ATOM 412 CD1 ILE A 29 4.890 -0.588 -3.144 1.00 0.84 C ATOM 0 H ILE A 29 7.513 1.420 -4.622 1.00 0.35 H new ATOM 0 HA ILE A 29 4.726 1.134 -5.220 1.00 0.32 H new ATOM 0 HB ILE A 29 6.135 2.648 -2.980 1.00 0.37 H new ATOM 0 HG12 ILE A 29 6.817 0.316 -2.983 1.00 0.46 H new ATOM 0 HG13 ILE A 29 5.756 0.635 -1.625 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.002 2.380 -1.773 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.801 3.327 -3.266 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.285 1.624 -3.216 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.220 -1.512 -2.669 1.00 0.84 H new ATOM 0 HD12 ILE A 29 3.863 -0.375 -2.848 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.940 -0.699 -4.227 1.00 0.84 H new ATOM 424 N SER A 30 4.217 3.283 -6.361 1.00 0.27 N ATOM 425 CA SER A 30 3.833 4.547 -6.979 1.00 0.29 C ATOM 426 C SER A 30 2.432 4.961 -6.541 1.00 0.28 C ATOM 427 O SER A 30 1.437 4.564 -7.147 1.00 0.35 O ATOM 428 CB SER A 30 3.894 4.433 -8.504 1.00 0.33 C ATOM 429 OG SER A 30 3.542 5.658 -9.122 1.00 0.95 O ATOM 0 H SER A 30 3.700 2.472 -6.701 1.00 0.27 H new ATOM 0 HA SER A 30 4.537 5.313 -6.653 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.899 4.144 -8.810 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.219 3.646 -8.840 1.00 0.33 H new ATOM 0 HG SER A 30 2.858 5.495 -9.805 1.00 0.95 H new ATOM 435 N ILE A 31 2.366 5.761 -5.481 1.00 0.25 N ATOM 436 CA ILE A 31 1.091 6.234 -4.957 1.00 0.27 C ATOM 437 C ILE A 31 0.691 7.561 -5.593 1.00 0.31 C ATOM 438 O ILE A 31 1.498 8.209 -6.260 1.00 0.41 O ATOM 439 CB ILE A 31 1.141 6.401 -3.425 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.330 7.277 -3.021 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.217 5.038 -2.750 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.380 7.595 -1.542 1.00 0.39 C ATOM 0 H ILE A 31 3.182 6.095 -4.968 1.00 0.25 H new ATOM 0 HA ILE A 31 0.346 5.479 -5.208 1.00 0.27 H new ATOM 0 HB ILE A 31 0.228 6.897 -3.096 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.254 6.774 -3.306 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.289 8.210 -3.583 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.252 5.169 -1.668 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.338 4.451 -3.016 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.115 4.517 -3.081 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.249 8.219 -1.333 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.474 8.127 -1.253 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.453 6.668 -0.973 1.00 0.39 H new ATOM 454 N SER A 32 -0.560 7.956 -5.380 1.00 0.37 N ATOM 455 CA SER A 32 -1.076 9.202 -5.936 1.00 0.44 C ATOM 456 C SER A 32 -1.927 9.943 -4.910 1.00 0.55 C ATOM 457 O SER A 32 -2.667 9.326 -4.141 1.00 0.59 O ATOM 458 CB SER A 32 -1.902 8.916 -7.190 1.00 0.48 C ATOM 459 OG SER A 32 -2.985 8.049 -6.898 1.00 1.32 O ATOM 0 H SER A 32 -1.236 7.431 -4.826 1.00 0.37 H new ATOM 0 HA SER A 32 -0.229 9.834 -6.202 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.281 9.852 -7.601 1.00 0.48 H new ATOM 0 HB3 SER A 32 -1.267 8.466 -7.953 1.00 0.48 H new ATOM 0 HG SER A 32 -3.659 8.532 -6.375 1.00 1.32 H new ATOM 465 N GLY A 33 -1.817 11.268 -4.904 1.00 0.70 N ATOM 466 CA GLY A 33 -2.581 12.075 -3.969 1.00 0.87 C ATOM 467 C GLY A 33 -4.076 11.971 -4.199 1.00 0.88 C ATOM 468 O GLY A 33 -4.553 12.150 -5.319 1.00 0.95 O ATOM 0 H GLY A 33 -1.212 11.798 -5.531 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.351 11.761 -2.951 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.274 13.117 -4.059 1.00 0.87 H new ATOM 634 N ILE A 46 -3.912 7.719 1.327 1.00 0.46 N ATOM 635 CA ILE A 46 -2.780 7.216 0.556 1.00 0.39 C ATOM 636 C ILE A 46 -3.103 5.858 -0.057 1.00 0.39 C ATOM 637 O ILE A 46 -3.473 4.920 0.651 1.00 0.57 O ATOM 638 CB ILE A 46 -1.515 7.087 1.430 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.175 8.429 2.090 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.343 6.582 0.599 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.828 9.529 1.106 1.00 0.55 C ATOM 0 HA ILE A 46 -2.588 7.938 -0.238 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.713 6.361 2.219 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.023 8.750 2.694 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.335 8.286 2.770 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.541 6.497 1.231 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.587 5.605 0.182 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.143 7.283 -0.212 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.600 10.445 1.650 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.040 9.231 0.518 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.674 9.703 0.441 1.00 0.55 H new ATOM 653 N TYR A 47 -2.961 5.757 -1.375 1.00 0.30 N ATOM 654 CA TYR A 47 -3.242 4.512 -2.078 1.00 0.30 C ATOM 655 C TYR A 47 -2.346 4.358 -3.302 1.00 0.26 C ATOM 656 O TYR A 47 -2.010 5.339 -3.965 1.00 0.29 O ATOM 657 CB TYR A 47 -4.713 4.463 -2.502 1.00 0.36 C ATOM 658 CG TYR A 47 -5.096 5.538 -3.498 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.427 6.819 -3.076 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.124 5.268 -4.860 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.777 7.801 -3.983 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.473 6.245 -5.774 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.798 7.508 -5.331 1.00 0.58 C ATOM 664 OH TYR A 47 -6.145 8.483 -6.238 1.00 0.70 O ATOM 0 H TYR A 47 -2.653 6.522 -1.976 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.036 3.687 -1.395 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.924 3.486 -2.936 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.341 4.561 -1.616 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.411 7.052 -2.021 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.869 4.279 -5.211 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.033 8.792 -3.639 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.491 6.019 -6.830 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.109 8.114 -7.145 1.00 0.70 H new ATOM 674 N VAL A 48 -1.959 3.118 -3.590 1.00 0.26 N ATOM 675 CA VAL A 48 -1.110 2.829 -4.738 1.00 0.25 C ATOM 676 C VAL A 48 -1.945 2.711 -6.008 1.00 0.28 C ATOM 677 O VAL A 48 -2.905 1.943 -6.061 1.00 0.39 O ATOM 678 CB VAL A 48 -0.315 1.524 -4.537 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.540 1.218 -5.758 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.544 1.611 -3.287 1.00 0.29 C ATOM 0 H VAL A 48 -2.221 2.298 -3.043 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.408 3.657 -4.835 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.025 0.707 -4.409 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.092 0.293 -5.593 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.101 1.107 -6.633 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.242 2.035 -5.924 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.098 0.681 -3.161 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.244 2.440 -3.384 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.094 1.774 -2.418 1.00 0.29 H new ATOM 690 N LYS A 49 -1.576 3.480 -7.027 1.00 0.31 N ATOM 691 CA LYS A 49 -2.295 3.458 -8.294 1.00 0.38 C ATOM 692 C LYS A 49 -1.478 2.754 -9.371 1.00 0.32 C ATOM 693 O LYS A 49 -2.025 2.276 -10.365 1.00 0.37 O ATOM 694 CB LYS A 49 -2.633 4.882 -8.738 1.00 0.49 C ATOM 695 CG LYS A 49 -3.479 4.939 -10.000 1.00 0.61 C ATOM 696 CD LYS A 49 -3.838 6.370 -10.373 1.00 0.84 C ATOM 697 CE LYS A 49 -4.789 6.990 -9.361 1.00 1.65 C ATOM 698 NZ LYS A 49 -6.068 6.233 -9.265 1.00 2.40 N ATOM 0 H LYS A 49 -0.786 4.124 -7.000 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.222 2.903 -8.148 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.163 5.389 -7.932 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.707 5.431 -8.906 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.937 4.474 -10.823 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.392 4.361 -9.853 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.930 6.969 -10.434 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.297 6.385 -11.361 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -4.310 7.019 -8.382 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -4.998 8.022 -9.644 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -6.792 6.830 -8.816 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -6.384 5.963 -10.218 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.922 5.377 -8.693 1.00 2.40 H new ATOM 712 N SER A 50 -0.166 2.694 -9.168 1.00 0.28 N ATOM 713 CA SER A 50 0.723 2.049 -10.125 1.00 0.35 C ATOM 714 C SER A 50 1.973 1.506 -9.438 1.00 0.28 C ATOM 715 O SER A 50 2.230 1.794 -8.268 1.00 0.25 O ATOM 716 CB SER A 50 1.118 3.035 -11.226 1.00 0.49 C ATOM 717 OG SER A 50 1.756 4.177 -10.685 1.00 1.28 O ATOM 0 H SER A 50 0.304 3.084 -8.351 1.00 0.28 H new ATOM 0 HA SER A 50 0.187 1.210 -10.569 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.785 2.544 -11.935 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.231 3.339 -11.781 1.00 0.49 H new ATOM 0 HG SER A 50 1.999 4.790 -11.410 1.00 1.28 H new ATOM 723 N LEU A 51 2.746 0.715 -10.177 1.00 0.32 N ATOM 724 CA LEU A 51 3.969 0.124 -9.649 1.00 0.27 C ATOM 725 C LEU A 51 5.113 0.265 -10.648 1.00 0.27 C ATOM 726 O LEU A 51 4.892 0.573 -11.820 1.00 0.42 O ATOM 727 CB LEU A 51 3.743 -1.355 -9.325 1.00 0.30 C ATOM 728 CG LEU A 51 2.688 -1.628 -8.250 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.326 -3.104 -8.225 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.187 -1.179 -6.885 1.00 0.32 C ATOM 0 H LEU A 51 2.545 0.469 -11.146 1.00 0.32 H new ATOM 0 HA LEU A 51 4.238 0.655 -8.736 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.450 -1.871 -10.239 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.689 -1.790 -9.003 1.00 0.30 H new ATOM 0 HG LEU A 51 1.793 -1.056 -8.493 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.575 -3.281 -7.455 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.927 -3.397 -9.196 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.216 -3.693 -8.006 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.423 -1.381 -6.134 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.097 -1.724 -6.633 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.399 -0.110 -6.909 1.00 0.32 H new ATOM 742 N ILE A 52 6.335 0.040 -10.175 1.00 0.24 N ATOM 743 CA ILE A 52 7.518 0.138 -11.022 1.00 0.24 C ATOM 744 C ILE A 52 8.091 -1.249 -11.321 1.00 0.23 C ATOM 745 O ILE A 52 8.800 -1.820 -10.493 1.00 0.28 O ATOM 746 CB ILE A 52 8.610 1.005 -10.360 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.056 2.389 -10.004 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.820 1.131 -11.274 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.533 3.167 -11.195 1.00 1.26 C ATOM 0 H ILE A 52 6.532 -0.212 -9.206 1.00 0.24 H new ATOM 0 HA ILE A 52 7.208 0.610 -11.954 1.00 0.24 H new ATOM 0 HB ILE A 52 8.926 0.515 -9.439 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.252 2.272 -9.278 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.841 2.970 -9.519 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.579 1.746 -10.790 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.229 0.141 -11.475 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.520 1.597 -12.213 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.158 4.135 -10.861 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.339 3.318 -11.913 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.725 2.609 -11.668 1.00 1.26 H new ATOM 761 N PRO A 53 7.785 -1.814 -12.507 1.00 0.31 N ATOM 762 CA PRO A 53 8.275 -3.141 -12.900 1.00 0.35 C ATOM 763 C PRO A 53 9.780 -3.294 -12.702 1.00 0.34 C ATOM 764 O PRO A 53 10.547 -2.364 -12.954 1.00 0.46 O ATOM 765 CB PRO A 53 7.921 -3.225 -14.386 1.00 0.43 C ATOM 766 CG PRO A 53 6.744 -2.328 -14.544 1.00 0.82 C ATOM 767 CD PRO A 53 6.942 -1.208 -13.559 1.00 0.47 C ATOM 0 HA PRO A 53 7.830 -3.931 -12.295 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.753 -2.900 -15.011 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.682 -4.247 -14.679 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.679 -1.945 -15.562 1.00 0.82 H new ATOM 0 HG3 PRO A 53 5.816 -2.863 -14.345 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.432 -0.350 -14.020 1.00 0.47 H new ATOM 0 HD3 PRO A 53 5.992 -0.855 -13.157 1.00 0.47 H new ATOM 775 N GLY A 54 10.194 -4.474 -12.250 1.00 0.39 N ATOM 776 CA GLY A 54 11.604 -4.732 -12.024 1.00 0.41 C ATOM 777 C GLY A 54 12.013 -4.506 -10.581 1.00 0.39 C ATOM 778 O GLY A 54 13.014 -5.055 -10.120 1.00 0.49 O ATOM 0 H GLY A 54 9.576 -5.257 -12.036 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.831 -5.760 -12.306 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.196 -4.086 -12.671 1.00 0.41 H new ATOM 782 N SER A 55 11.237 -3.695 -9.867 1.00 0.35 N ATOM 783 CA SER A 55 11.526 -3.395 -8.469 1.00 0.35 C ATOM 784 C SER A 55 11.137 -4.562 -7.566 1.00 0.32 C ATOM 785 O SER A 55 10.676 -5.599 -8.042 1.00 0.36 O ATOM 786 CB SER A 55 10.783 -2.133 -8.032 1.00 0.37 C ATOM 787 OG SER A 55 9.386 -2.360 -7.977 1.00 1.23 O ATOM 0 H SER A 55 10.404 -3.234 -10.234 1.00 0.35 H new ATOM 0 HA SER A 55 12.599 -3.230 -8.377 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.142 -1.816 -7.053 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.996 -1.322 -8.728 1.00 0.37 H new ATOM 0 HG SER A 55 9.046 -2.530 -8.880 1.00 1.23 H new ATOM 793 N ALA A 56 11.322 -4.385 -6.262 1.00 0.35 N ATOM 794 CA ALA A 56 10.991 -5.425 -5.295 1.00 0.36 C ATOM 795 C ALA A 56 9.488 -5.680 -5.251 1.00 0.32 C ATOM 796 O ALA A 56 9.034 -6.806 -5.459 1.00 0.34 O ATOM 797 CB ALA A 56 11.504 -5.044 -3.914 1.00 0.42 C ATOM 0 H ALA A 56 11.699 -3.531 -5.851 1.00 0.35 H new ATOM 0 HA ALA A 56 11.479 -6.347 -5.611 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.250 -5.829 -3.202 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.587 -4.922 -3.949 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.043 -4.107 -3.600 1.00 0.42 H new ATOM 803 N ALA A 57 8.722 -4.628 -4.978 1.00 0.30 N ATOM 804 CA ALA A 57 7.268 -4.734 -4.902 1.00 0.30 C ATOM 805 C ALA A 57 6.686 -5.305 -6.190 1.00 0.30 C ATOM 806 O ALA A 57 5.695 -6.035 -6.163 1.00 0.35 O ATOM 807 CB ALA A 57 6.655 -3.373 -4.608 1.00 0.32 C ATOM 0 H ALA A 57 9.085 -3.690 -4.805 1.00 0.30 H new ATOM 0 HA ALA A 57 7.024 -5.418 -4.089 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.570 -3.466 -4.554 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.035 -3.001 -3.657 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.920 -2.675 -5.402 1.00 0.32 H new ATOM 813 N ALA A 58 7.307 -4.969 -7.316 1.00 0.31 N ATOM 814 CA ALA A 58 6.846 -5.447 -8.614 1.00 0.33 C ATOM 815 C ALA A 58 7.101 -6.941 -8.776 1.00 0.34 C ATOM 816 O ALA A 58 6.244 -7.678 -9.265 1.00 0.44 O ATOM 817 CB ALA A 58 7.523 -4.669 -9.733 1.00 0.37 C ATOM 0 H ALA A 58 8.130 -4.368 -7.356 1.00 0.31 H new ATOM 0 HA ALA A 58 5.770 -5.283 -8.670 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.170 -5.036 -10.697 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.282 -3.610 -9.637 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.603 -4.803 -9.667 1.00 0.37 H new ATOM 823 N LEU A 59 8.283 -7.384 -8.361 1.00 0.35 N ATOM 824 CA LEU A 59 8.650 -8.792 -8.462 1.00 0.39 C ATOM 825 C LEU A 59 7.810 -9.648 -7.519 1.00 0.42 C ATOM 826 O LEU A 59 7.707 -10.862 -7.696 1.00 0.57 O ATOM 827 CB LEU A 59 10.139 -8.979 -8.161 1.00 0.47 C ATOM 828 CG LEU A 59 11.091 -8.411 -9.216 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.531 -8.479 -8.729 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.939 -9.161 -10.531 1.00 0.61 C ATOM 0 H LEU A 59 9.003 -6.789 -7.952 1.00 0.35 H new ATOM 0 HA LEU A 59 8.453 -9.118 -9.483 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.362 -8.510 -7.203 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.340 -10.044 -8.049 1.00 0.47 H new ATOM 0 HG LEU A 59 10.833 -7.365 -9.383 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.193 -8.071 -9.493 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.633 -7.898 -7.812 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.800 -9.517 -8.533 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.624 -8.743 -11.269 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.170 -10.215 -10.377 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.914 -9.062 -10.890 1.00 0.61 H new ATOM 842 N ASP A 60 7.215 -9.012 -6.513 1.00 0.44 N ATOM 843 CA ASP A 60 6.384 -9.724 -5.547 1.00 0.52 C ATOM 844 C ASP A 60 5.246 -10.461 -6.247 1.00 0.61 C ATOM 845 O ASP A 60 4.990 -11.634 -5.971 1.00 0.79 O ATOM 846 CB ASP A 60 5.819 -8.755 -4.508 1.00 0.74 C ATOM 847 CG ASP A 60 4.989 -9.459 -3.454 1.00 1.08 C ATOM 848 OD1 ASP A 60 5.575 -9.960 -2.472 1.00 1.32 O ATOM 849 OD2 ASP A 60 3.751 -9.510 -3.611 1.00 1.86 O ATOM 0 H ASP A 60 7.292 -8.009 -6.346 1.00 0.44 H new ATOM 0 HA ASP A 60 7.011 -10.457 -5.040 1.00 0.52 H new ATOM 0 HB2 ASP A 60 6.640 -8.224 -4.026 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.206 -8.006 -5.009 1.00 0.74 H new ATOM 854 N GLY A 61 4.565 -9.766 -7.155 1.00 0.72 N ATOM 855 CA GLY A 61 3.467 -10.374 -7.886 1.00 1.06 C ATOM 856 C GLY A 61 2.115 -10.086 -7.265 1.00 0.83 C ATOM 857 O GLY A 61 1.187 -9.660 -7.954 1.00 0.94 O ATOM 0 H GLY A 61 4.754 -8.793 -7.397 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.475 -10.009 -8.913 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.619 -11.452 -7.930 1.00 1.06 H new ATOM 861 N ARG A 62 1.998 -10.321 -5.962 1.00 0.63 N ATOM 862 CA ARG A 62 0.744 -10.088 -5.253 1.00 0.59 C ATOM 863 C ARG A 62 0.374 -8.609 -5.268 1.00 0.52 C ATOM 864 O ARG A 62 -0.787 -8.255 -5.472 1.00 0.69 O ATOM 865 CB ARG A 62 0.847 -10.587 -3.812 1.00 0.67 C ATOM 866 CG ARG A 62 1.095 -12.082 -3.703 1.00 0.81 C ATOM 867 CD ARG A 62 1.265 -12.517 -2.257 1.00 1.05 C ATOM 868 NE ARG A 62 2.449 -11.924 -1.642 1.00 1.31 N ATOM 869 CZ ARG A 62 3.040 -12.412 -0.554 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.557 -13.497 0.038 1.00 2.26 N ATOM 871 NH2 ARG A 62 4.114 -11.816 -0.057 1.00 2.59 N ATOM 0 H ARG A 62 2.755 -10.672 -5.376 1.00 0.63 H new ATOM 0 HA ARG A 62 -0.041 -10.643 -5.766 1.00 0.59 H new ATOM 0 HB2 ARG A 62 1.655 -10.055 -3.309 1.00 0.67 H new ATOM 0 HB3 ARG A 62 -0.074 -10.340 -3.284 1.00 0.67 H new ATOM 0 HG2 ARG A 62 0.262 -12.623 -4.151 1.00 0.81 H new ATOM 0 HG3 ARG A 62 1.988 -12.346 -4.270 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.380 -12.234 -1.687 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.339 -13.604 -2.212 1.00 1.05 H new ATOM 0 HE ARG A 62 2.846 -11.088 -2.071 1.00 1.31 H new ATOM 0 HH11 ARG A 62 1.730 -13.959 -0.341 1.00 2.26 H new ATOM 0 HH12 ARG A 62 3.012 -13.869 0.872 1.00 2.26 H new ATOM 0 HH21 ARG A 62 4.489 -10.982 -0.508 1.00 2.59 H new ATOM 0 HH22 ARG A 62 4.566 -12.191 0.777 1.00 2.59 H new ATOM 885 N ILE A 63 1.365 -7.750 -5.048 1.00 0.48 N ATOM 886 CA ILE A 63 1.135 -6.309 -5.038 1.00 0.48 C ATOM 887 C ILE A 63 0.679 -5.820 -6.408 1.00 0.49 C ATOM 888 O ILE A 63 1.430 -5.880 -7.381 1.00 0.59 O ATOM 889 CB ILE A 63 2.401 -5.531 -4.626 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.922 -6.034 -3.277 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.104 -4.040 -4.565 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.232 -5.400 -2.856 1.00 0.92 C ATOM 0 H ILE A 63 2.332 -8.025 -4.875 1.00 0.48 H new ATOM 0 HA ILE A 63 0.352 -6.122 -4.303 1.00 0.48 H new ATOM 0 HB ILE A 63 3.175 -5.699 -5.375 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.171 -5.838 -2.512 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.051 -7.115 -3.328 1.00 0.66 H new ATOM 0 HG21 ILE A 63 3.005 -3.501 -4.273 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.776 -3.694 -5.545 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.318 -3.855 -3.833 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.539 -5.805 -1.892 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.997 -5.617 -3.601 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.104 -4.321 -2.772 1.00 0.92 H new ATOM 904 N GLU A 64 -0.557 -5.339 -6.477 1.00 0.51 N ATOM 905 CA GLU A 64 -1.117 -4.835 -7.725 1.00 0.58 C ATOM 906 C GLU A 64 -1.749 -3.459 -7.530 1.00 0.56 C ATOM 907 O GLU A 64 -2.094 -3.083 -6.409 1.00 0.66 O ATOM 908 CB GLU A 64 -2.157 -5.814 -8.273 1.00 0.79 C ATOM 909 CG GLU A 64 -1.556 -6.934 -9.103 1.00 1.09 C ATOM 910 CD GLU A 64 -2.594 -7.938 -9.567 1.00 1.39 C ATOM 911 OE1 GLU A 64 -2.861 -8.902 -8.819 1.00 1.67 O ATOM 912 OE2 GLU A 64 -3.138 -7.759 -10.676 1.00 1.98 O ATOM 0 H GLU A 64 -1.192 -5.287 -5.680 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.303 -4.738 -8.443 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.711 -6.247 -7.440 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -2.875 -5.265 -8.883 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -1.054 -6.508 -9.972 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -0.795 -7.448 -8.516 1.00 1.09 H new ATOM 919 N PRO A 65 -1.906 -2.682 -8.620 1.00 0.56 N ATOM 920 CA PRO A 65 -2.512 -1.346 -8.562 1.00 0.64 C ATOM 921 C PRO A 65 -3.897 -1.368 -7.921 1.00 0.72 C ATOM 922 O PRO A 65 -4.430 -2.434 -7.608 1.00 1.44 O ATOM 923 CB PRO A 65 -2.609 -0.918 -10.035 1.00 0.77 C ATOM 924 CG PRO A 65 -2.397 -2.167 -10.824 1.00 0.83 C ATOM 925 CD PRO A 65 -1.501 -3.031 -9.992 1.00 0.62 C ATOM 0 HA PRO A 65 -1.922 -0.663 -7.951 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.581 -0.476 -10.253 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.856 -0.168 -10.277 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.344 -2.667 -11.026 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.941 -1.947 -11.789 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.649 -4.090 -10.202 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.448 -2.815 -10.172 1.00 0.62 H new ATOM 933 N ASN A 66 -4.474 -0.185 -7.729 1.00 0.60 N ATOM 934 CA ASN A 66 -5.799 -0.059 -7.127 1.00 0.59 C ATOM 935 C ASN A 66 -5.812 -0.614 -5.703 1.00 0.51 C ATOM 936 O ASN A 66 -6.802 -1.201 -5.263 1.00 0.73 O ATOM 937 CB ASN A 66 -6.845 -0.777 -7.983 1.00 0.66 C ATOM 938 CG ASN A 66 -6.907 -0.232 -9.397 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.220 -0.721 -10.293 1.00 2.15 O ATOM 940 ND2 ASN A 66 -7.729 0.791 -9.602 1.00 2.01 N ATOM 0 H ASN A 66 -4.043 0.704 -7.983 1.00 0.60 H new ATOM 0 HA ASN A 66 -6.047 1.001 -7.081 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.614 -1.842 -8.017 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.824 -0.678 -7.515 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -7.809 1.203 -10.532 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -8.280 1.165 -8.830 1.00 2.01 H new ATOM 947 N ASP A 67 -4.704 -0.426 -4.990 1.00 0.36 N ATOM 948 CA ASP A 67 -4.584 -0.899 -3.614 1.00 0.34 C ATOM 949 C ASP A 67 -4.497 0.279 -2.645 1.00 0.30 C ATOM 950 O ASP A 67 -4.042 1.360 -3.014 1.00 0.38 O ATOM 951 CB ASP A 67 -3.348 -1.789 -3.466 1.00 0.41 C ATOM 952 CG ASP A 67 -3.058 -2.144 -2.022 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.344 -1.367 -1.352 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.543 -3.197 -1.558 1.00 2.02 O ATOM 0 H ASP A 67 -3.875 0.052 -5.344 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.473 -1.482 -3.374 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.493 -2.704 -4.040 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.484 -1.279 -3.892 1.00 0.41 H new ATOM 959 N LYS A 68 -4.937 0.065 -1.406 1.00 0.27 N ATOM 960 CA LYS A 68 -4.904 1.119 -0.398 1.00 0.28 C ATOM 961 C LYS A 68 -3.969 0.752 0.752 1.00 0.26 C ATOM 962 O LYS A 68 -4.296 -0.092 1.586 1.00 0.38 O ATOM 963 CB LYS A 68 -6.314 1.386 0.135 1.00 0.37 C ATOM 964 CG LYS A 68 -6.368 2.453 1.215 1.00 0.53 C ATOM 965 CD LYS A 68 -7.801 2.773 1.609 1.00 0.53 C ATOM 966 CE LYS A 68 -7.850 3.818 2.710 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.248 4.202 3.053 1.00 1.02 N ATOM 0 H LYS A 68 -5.318 -0.823 -1.079 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.523 2.025 -0.870 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -6.955 1.688 -0.694 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.724 0.458 0.533 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.815 2.114 2.091 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -5.876 3.358 0.859 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.348 3.133 0.738 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.300 1.864 1.945 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.352 3.432 3.599 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.298 4.703 2.394 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.236 4.917 3.808 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.716 4.595 2.212 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.769 3.363 3.379 1.00 1.02 H new ATOM 981 N ILE A 69 -2.804 1.393 0.789 1.00 0.24 N ATOM 982 CA ILE A 69 -1.821 1.139 1.836 1.00 0.21 C ATOM 983 C ILE A 69 -2.366 1.534 3.204 1.00 0.21 C ATOM 984 O ILE A 69 -2.902 2.629 3.377 1.00 0.29 O ATOM 985 CB ILE A 69 -0.511 1.912 1.584 1.00 0.23 C ATOM 986 CG1 ILE A 69 0.040 1.600 0.190 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.515 1.579 2.659 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.386 0.140 -0.022 1.00 0.28 C ATOM 0 H ILE A 69 -2.518 2.093 0.104 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.613 0.069 1.818 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.724 2.980 1.632 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.695 1.901 -0.556 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.932 2.203 0.019 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.435 2.132 2.468 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.121 1.857 3.637 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.725 0.510 2.643 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.769 -0.000 -1.033 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.145 -0.162 0.699 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.507 -0.469 0.115 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.218 0.639 4.173 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.692 0.895 5.526 1.00 0.21 C ATOM 1002 C LEU A 70 -1.534 1.273 6.443 1.00 0.20 C ATOM 1003 O LEU A 70 -1.454 2.402 6.935 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.410 -0.338 6.079 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.557 -0.867 5.216 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.130 -2.144 5.813 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.647 0.185 5.069 1.00 0.38 C ATOM 0 H LEU A 70 -1.773 -0.270 4.046 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.392 1.729 5.488 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.679 -1.135 6.211 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.802 -0.098 7.067 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.162 -1.095 4.226 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -5.945 -2.505 5.185 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.349 -2.903 5.867 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.507 -1.940 6.815 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.454 -0.211 4.452 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.037 0.445 6.053 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.232 1.075 4.597 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.635 0.323 6.666 1.00 0.20 N ATOM 1020 CA ARG A 71 0.516 0.552 7.525 1.00 0.25 C ATOM 1021 C ARG A 71 1.732 -0.231 7.042 1.00 0.18 C ATOM 1022 O ARG A 71 1.634 -1.407 6.688 1.00 0.26 O ATOM 1023 CB ARG A 71 0.180 0.165 8.965 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.370 -1.244 9.102 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.927 -1.492 10.495 1.00 0.77 C ATOM 1026 NE ARG A 71 0.088 -1.318 11.531 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.180 -1.332 12.834 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.425 -1.509 13.256 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.797 -1.169 13.715 1.00 2.61 N ATOM 0 H ARG A 71 -0.682 -0.613 6.263 1.00 0.20 H new ATOM 0 HA ARG A 71 0.761 1.613 7.485 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.078 0.257 9.576 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.549 0.871 9.362 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.154 -1.403 8.362 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.419 -1.966 8.891 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.755 -0.808 10.681 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.330 -2.503 10.549 1.00 0.77 H new ATOM 0 HE ARG A 71 1.055 -1.178 11.239 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.179 -1.635 12.581 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.628 -1.519 14.256 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.756 -1.033 13.394 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.590 -1.180 14.714 1.00 2.61 H new ATOM 1043 N VAL A 72 2.878 0.441 7.024 1.00 0.21 N ATOM 1044 CA VAL A 72 4.129 -0.173 6.602 1.00 0.17 C ATOM 1045 C VAL A 72 4.811 -0.840 7.794 1.00 0.17 C ATOM 1046 O VAL A 72 4.321 -0.749 8.918 1.00 0.20 O ATOM 1047 CB VAL A 72 5.077 0.880 5.982 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.195 0.221 5.187 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.294 1.849 5.108 1.00 0.28 C ATOM 0 H VAL A 72 2.965 1.419 7.300 1.00 0.21 H new ATOM 0 HA VAL A 72 3.903 -0.925 5.846 1.00 0.17 H new ATOM 0 HB VAL A 72 5.537 1.439 6.797 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.843 0.989 4.765 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.778 -0.424 5.845 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.766 -0.375 4.381 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.975 2.584 4.679 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.801 1.299 4.306 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.544 2.359 5.712 1.00 0.28 H new ATOM 1059 N ASP A 73 5.919 -1.529 7.546 1.00 0.18 N ATOM 1060 CA ASP A 73 6.662 -2.199 8.610 1.00 0.21 C ATOM 1061 C ASP A 73 6.904 -1.268 9.800 1.00 0.22 C ATOM 1062 O ASP A 73 7.691 -0.325 9.713 1.00 0.23 O ATOM 1063 CB ASP A 73 8.000 -2.704 8.073 1.00 0.26 C ATOM 1064 CG ASP A 73 8.713 -3.615 9.052 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.324 -4.797 9.152 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.660 -3.146 9.718 1.00 0.56 O ATOM 0 H ASP A 73 6.324 -1.639 6.616 1.00 0.18 H new ATOM 0 HA ASP A 73 6.062 -3.041 8.955 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.834 -3.240 7.138 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.640 -1.852 7.842 1.00 0.26 H new ATOM 1071 N ASP A 74 6.216 -1.542 10.909 1.00 0.25 N ATOM 1072 CA ASP A 74 6.355 -0.746 12.129 1.00 0.29 C ATOM 1073 C ASP A 74 6.070 0.734 11.878 1.00 0.25 C ATOM 1074 O ASP A 74 6.571 1.600 12.595 1.00 0.29 O ATOM 1075 CB ASP A 74 7.759 -0.913 12.714 1.00 0.35 C ATOM 1076 CG ASP A 74 8.068 -2.353 13.076 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.612 -2.806 14.147 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.764 -3.026 12.288 1.00 2.01 O ATOM 0 H ASP A 74 5.553 -2.314 10.987 1.00 0.25 H new ATOM 0 HA ASP A 74 5.617 -1.112 12.843 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.495 -0.557 11.993 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.856 -0.289 13.603 1.00 0.35 H new ATOM 1083 N VAL A 75 5.260 1.016 10.863 1.00 0.27 N ATOM 1084 CA VAL A 75 4.905 2.390 10.518 1.00 0.27 C ATOM 1085 C VAL A 75 3.470 2.465 9.999 1.00 0.37 C ATOM 1086 O VAL A 75 2.968 1.517 9.400 1.00 0.79 O ATOM 1087 CB VAL A 75 5.856 2.973 9.448 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.480 4.411 9.117 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.304 2.895 9.910 1.00 0.41 C ATOM 0 H VAL A 75 4.835 0.309 10.262 1.00 0.27 H new ATOM 0 HA VAL A 75 4.998 2.980 11.430 1.00 0.27 H new ATOM 0 HB VAL A 75 5.752 2.374 8.544 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.163 4.801 8.362 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.460 4.441 8.734 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.548 5.021 10.018 1.00 0.40 H new ATOM 0 HG21 VAL A 75 7.954 3.311 9.141 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.423 3.464 10.832 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.573 1.854 10.089 1.00 0.41 H new ATOM 1099 N ASN A 76 2.814 3.597 10.240 1.00 0.30 N ATOM 1100 CA ASN A 76 1.441 3.798 9.789 1.00 0.37 C ATOM 1101 C ASN A 76 1.363 4.980 8.829 1.00 0.42 C ATOM 1102 O ASN A 76 1.896 6.053 9.111 1.00 0.58 O ATOM 1103 CB ASN A 76 0.515 4.033 10.985 1.00 0.46 C ATOM 1104 CG ASN A 76 0.901 5.260 11.789 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.073 5.632 11.852 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.086 5.897 12.407 1.00 2.08 N ATOM 0 H ASN A 76 3.212 4.389 10.745 1.00 0.30 H new ATOM 0 HA ASN A 76 1.117 2.899 9.265 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.510 4.143 10.630 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.535 3.157 11.633 1.00 0.46 H new ATOM 0 HD21 ASN A 76 0.113 6.730 12.961 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.043 5.554 12.328 1.00 2.08 H new ATOM 1113 N VAL A 77 0.697 4.782 7.694 1.00 0.35 N ATOM 1114 CA VAL A 77 0.565 5.840 6.698 1.00 0.43 C ATOM 1115 C VAL A 77 -0.839 6.436 6.706 1.00 0.53 C ATOM 1116 O VAL A 77 -1.309 6.961 5.695 1.00 0.67 O ATOM 1117 CB VAL A 77 0.896 5.328 5.282 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.359 4.923 5.188 1.00 0.45 C ATOM 1119 CG2 VAL A 77 -0.006 4.163 4.910 1.00 0.53 C ATOM 0 H VAL A 77 0.243 3.904 7.443 1.00 0.35 H new ATOM 0 HA VAL A 77 1.282 6.616 6.967 1.00 0.43 H new ATOM 0 HB VAL A 77 0.718 6.138 4.575 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.573 4.564 4.181 1.00 0.45 H new ATOM 0 HG12 VAL A 77 2.990 5.784 5.408 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.564 4.130 5.907 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.243 3.816 3.907 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.138 3.350 5.622 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -1.047 4.486 4.934 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.502 6.354 7.854 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.853 6.887 8.000 1.00 0.72 C ATOM 1131 C GLN A 78 -2.827 8.302 8.571 1.00 0.61 C ATOM 1132 O GLN A 78 -3.805 8.759 9.164 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.686 5.979 8.907 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.916 4.589 8.334 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.682 4.617 7.025 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.423 3.637 6.168 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.498 5.507 6.788 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.126 5.923 8.699 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.308 6.923 7.010 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.187 5.887 9.872 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.651 6.451 9.091 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.954 4.101 8.177 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.464 3.987 9.059 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.666 6.241 7.476 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.006 5.510 5.904 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.706 8.994 8.388 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.582 10.349 8.894 1.00 0.48 C ATOM 1148 C GLY A 79 -0.306 11.032 8.439 1.00 0.41 C ATOM 1149 O GLY A 79 0.100 12.042 9.012 1.00 0.55 O ATOM 0 H GLY A 79 -0.883 8.641 7.899 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.440 10.935 8.564 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.609 10.329 9.983 1.00 0.48 H new ATOM 1153 N MET A 80 0.325 10.483 7.404 1.00 0.32 N ATOM 1154 CA MET A 80 1.560 11.052 6.877 1.00 0.33 C ATOM 1155 C MET A 80 1.378 11.498 5.431 1.00 0.30 C ATOM 1156 O MET A 80 0.788 10.784 4.620 1.00 0.34 O ATOM 1157 CB MET A 80 2.696 10.033 6.971 1.00 0.39 C ATOM 1158 CG MET A 80 2.886 9.461 8.366 1.00 0.46 C ATOM 1159 SD MET A 80 4.378 8.459 8.515 1.00 0.52 S ATOM 1160 CE MET A 80 4.157 7.306 7.162 1.00 0.48 C ATOM 0 H MET A 80 0.002 9.648 6.916 1.00 0.32 H new ATOM 0 HA MET A 80 1.815 11.925 7.478 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.499 9.217 6.276 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.625 10.506 6.652 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.930 10.278 9.086 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.019 8.854 8.626 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.739 6.405 7.353 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.102 7.045 7.075 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.495 7.766 6.233 1.00 0.48 H new ATOM 1170 N ALA A 81 1.888 12.684 5.113 1.00 0.29 N ATOM 1171 CA ALA A 81 1.781 13.226 3.764 1.00 0.31 C ATOM 1172 C ALA A 81 2.535 12.360 2.764 1.00 0.26 C ATOM 1173 O ALA A 81 3.412 11.584 3.144 1.00 0.23 O ATOM 1174 CB ALA A 81 2.300 14.655 3.727 1.00 0.39 C ATOM 0 H ALA A 81 2.380 13.288 5.772 1.00 0.29 H new ATOM 0 HA ALA A 81 0.728 13.227 3.481 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.214 15.047 2.714 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.713 15.273 4.406 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.346 14.670 4.035 1.00 0.39 H new ATOM 1180 N GLN A 82 2.190 12.496 1.486 1.00 0.33 N ATOM 1181 CA GLN A 82 2.832 11.719 0.429 1.00 0.35 C ATOM 1182 C GLN A 82 4.353 11.760 0.558 1.00 0.31 C ATOM 1183 O GLN A 82 5.006 10.717 0.618 1.00 0.31 O ATOM 1184 CB GLN A 82 2.410 12.245 -0.945 1.00 0.42 C ATOM 1185 CG GLN A 82 2.934 11.414 -2.104 1.00 0.51 C ATOM 1186 CD GLN A 82 2.492 11.951 -3.453 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.172 12.779 -4.057 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.345 11.481 -3.929 1.00 0.74 N ATOM 0 H GLN A 82 1.469 13.138 1.157 1.00 0.33 H new ATOM 0 HA GLN A 82 2.510 10.683 0.532 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.322 12.275 -0.994 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.763 13.270 -1.056 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.023 11.390 -2.066 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.588 10.386 -1.995 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.814 10.795 -3.393 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.995 11.806 -4.830 1.00 0.74 H new ATOM 1197 N SER A 83 4.908 12.967 0.610 1.00 0.32 N ATOM 1198 CA SER A 83 6.352 13.145 0.732 1.00 0.35 C ATOM 1199 C SER A 83 6.905 12.375 1.928 1.00 0.30 C ATOM 1200 O SER A 83 8.035 11.884 1.895 1.00 0.35 O ATOM 1201 CB SER A 83 6.692 14.630 0.874 1.00 0.44 C ATOM 1202 OG SER A 83 8.089 14.821 1.019 1.00 1.48 O ATOM 0 H SER A 83 4.379 13.838 0.570 1.00 0.32 H new ATOM 0 HA SER A 83 6.814 12.752 -0.174 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.336 15.173 -0.001 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.173 15.044 1.739 1.00 0.44 H new ATOM 0 HG SER A 83 8.281 15.778 1.106 1.00 1.48 H new ATOM 1208 N ASP A 84 6.102 12.266 2.983 1.00 0.24 N ATOM 1209 CA ASP A 84 6.517 11.558 4.189 1.00 0.24 C ATOM 1210 C ASP A 84 6.525 10.050 3.962 1.00 0.20 C ATOM 1211 O ASP A 84 7.419 9.346 4.429 1.00 0.24 O ATOM 1212 CB ASP A 84 5.593 11.907 5.356 1.00 0.27 C ATOM 1213 CG ASP A 84 6.179 11.506 6.695 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.162 10.299 7.013 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.652 12.400 7.427 1.00 0.97 O ATOM 0 H ASP A 84 5.162 12.659 3.027 1.00 0.24 H new ATOM 0 HA ASP A 84 7.531 11.874 4.433 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.398 12.979 5.354 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.633 11.409 5.218 1.00 0.27 H new ATOM 1220 N VAL A 85 5.523 9.553 3.246 1.00 0.19 N ATOM 1221 CA VAL A 85 5.431 8.127 2.961 1.00 0.22 C ATOM 1222 C VAL A 85 6.593 7.678 2.080 1.00 0.21 C ATOM 1223 O VAL A 85 7.048 6.535 2.164 1.00 0.24 O ATOM 1224 CB VAL A 85 4.099 7.775 2.268 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.949 6.268 2.126 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.926 8.362 3.037 1.00 0.30 C ATOM 0 H VAL A 85 4.766 10.114 2.854 1.00 0.19 H new ATOM 0 HA VAL A 85 5.476 7.603 3.916 1.00 0.22 H new ATOM 0 HB VAL A 85 4.106 8.211 1.269 1.00 0.27 H new ATOM 0 HG11 VAL A 85 3.003 6.041 1.635 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.771 5.875 1.528 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.965 5.806 3.113 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.995 8.103 2.533 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.915 7.958 4.049 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.026 9.447 3.081 1.00 0.30 H new ATOM 1236 N VAL A 86 7.076 8.592 1.241 1.00 0.22 N ATOM 1237 CA VAL A 86 8.185 8.297 0.341 1.00 0.25 C ATOM 1238 C VAL A 86 9.496 8.156 1.109 1.00 0.24 C ATOM 1239 O VAL A 86 10.231 7.186 0.917 1.00 0.26 O ATOM 1240 CB VAL A 86 8.340 9.389 -0.736 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.525 9.089 -1.642 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.062 9.518 -1.550 1.00 0.34 C ATOM 0 H VAL A 86 6.715 9.543 1.167 1.00 0.22 H new ATOM 0 HA VAL A 86 7.954 7.350 -0.147 1.00 0.25 H new ATOM 0 HB VAL A 86 8.528 10.339 -0.236 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.615 9.873 -2.394 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.437 9.050 -1.047 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.372 8.129 -2.135 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.189 10.293 -2.306 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.844 8.568 -2.038 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.236 9.785 -0.891 1.00 0.34 H new ATOM 1252 N GLU A 87 9.790 9.124 1.976 1.00 0.25 N ATOM 1253 CA GLU A 87 11.020 9.086 2.760 1.00 0.26 C ATOM 1254 C GLU A 87 11.062 7.840 3.640 1.00 0.24 C ATOM 1255 O GLU A 87 12.134 7.319 3.940 1.00 0.26 O ATOM 1256 CB GLU A 87 11.161 10.348 3.619 1.00 0.32 C ATOM 1257 CG GLU A 87 10.085 10.497 4.680 1.00 0.75 C ATOM 1258 CD GLU A 87 10.322 11.688 5.591 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.054 11.533 6.591 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.775 12.773 5.303 1.00 1.51 O ATOM 0 H GLU A 87 9.198 9.936 2.151 1.00 0.25 H new ATOM 0 HA GLU A 87 11.859 9.048 2.065 1.00 0.26 H new ATOM 0 HB2 GLU A 87 12.137 10.337 4.105 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.139 11.222 2.968 1.00 0.32 H new ATOM 0 HG2 GLU A 87 9.115 10.603 4.195 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.044 9.588 5.280 1.00 0.75 H new ATOM 1267 N VAL A 88 9.888 7.367 4.052 1.00 0.22 N ATOM 1268 CA VAL A 88 9.796 6.173 4.887 1.00 0.22 C ATOM 1269 C VAL A 88 10.280 4.942 4.128 1.00 0.23 C ATOM 1270 O VAL A 88 11.190 4.241 4.574 1.00 0.25 O ATOM 1271 CB VAL A 88 8.351 5.931 5.372 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.214 4.550 5.999 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.931 7.009 6.358 1.00 0.27 C ATOM 0 H VAL A 88 8.990 7.791 3.822 1.00 0.22 H new ATOM 0 HA VAL A 88 10.434 6.341 5.754 1.00 0.22 H new ATOM 0 HB VAL A 88 7.690 5.978 4.507 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.187 4.402 6.333 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.469 3.789 5.262 1.00 0.26 H new ATOM 0 HG13 VAL A 88 8.888 4.469 6.852 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.909 6.822 6.689 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.599 6.995 7.219 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.982 7.984 5.874 1.00 0.27 H new ATOM 1283 N LEU A 89 9.660 4.685 2.980 1.00 0.24 N ATOM 1284 CA LEU A 89 10.018 3.537 2.154 1.00 0.28 C ATOM 1285 C LEU A 89 11.506 3.538 1.815 1.00 0.32 C ATOM 1286 O LEU A 89 12.132 2.481 1.727 1.00 0.39 O ATOM 1287 CB LEU A 89 9.191 3.531 0.866 1.00 0.32 C ATOM 1288 CG LEU A 89 7.680 3.381 1.061 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.952 3.576 -0.260 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.351 2.020 1.655 1.00 0.35 C ATOM 0 H LEU A 89 8.906 5.257 2.600 1.00 0.24 H new ATOM 0 HA LEU A 89 9.800 2.635 2.726 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.381 4.459 0.327 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.542 2.717 0.232 1.00 0.32 H new ATOM 0 HG LEU A 89 7.344 4.150 1.757 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.879 3.466 -0.104 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.162 4.573 -0.647 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.293 2.829 -0.977 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.273 1.931 1.787 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.700 1.236 0.983 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.844 1.916 2.622 1.00 0.35 H new ATOM 1302 N ARG A 90 12.069 4.728 1.625 1.00 0.31 N ATOM 1303 CA ARG A 90 13.484 4.858 1.290 1.00 0.37 C ATOM 1304 C ARG A 90 14.362 4.655 2.520 1.00 0.37 C ATOM 1305 O ARG A 90 15.465 4.116 2.423 1.00 0.48 O ATOM 1306 CB ARG A 90 13.762 6.226 0.664 1.00 0.41 C ATOM 1307 CG ARG A 90 13.151 6.394 -0.718 1.00 0.49 C ATOM 1308 CD ARG A 90 13.532 7.728 -1.338 1.00 0.72 C ATOM 1309 NE ARG A 90 13.002 8.857 -0.578 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.203 10.130 -0.909 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.921 10.434 -1.981 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.686 11.099 -0.166 1.00 2.10 N ATOM 0 H ARG A 90 11.569 5.614 1.697 1.00 0.31 H new ATOM 0 HA ARG A 90 13.729 4.081 0.565 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.374 7.004 1.322 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.840 6.374 0.597 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.484 5.583 -1.365 1.00 0.49 H new ATOM 0 HG3 ARG A 90 12.066 6.321 -0.648 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.618 7.805 -1.392 1.00 0.72 H new ATOM 0 HD3 ARG A 90 13.158 7.772 -2.361 1.00 0.72 H new ATOM 0 HE ARG A 90 12.446 8.658 0.254 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.321 9.691 -2.554 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.074 11.411 -2.232 1.00 1.82 H new ATOM 0 HH21 ARG A 90 12.134 10.869 0.660 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.841 12.075 -0.421 1.00 2.10 H new ATOM 1326 N ASN A 91 13.871 5.089 3.675 1.00 0.32 N ATOM 1327 CA ASN A 91 14.617 4.947 4.920 1.00 0.36 C ATOM 1328 C ASN A 91 14.679 3.484 5.347 1.00 0.36 C ATOM 1329 O ASN A 91 15.517 3.101 6.163 1.00 0.42 O ATOM 1330 CB ASN A 91 13.978 5.789 6.027 1.00 0.38 C ATOM 1331 CG ASN A 91 14.369 7.254 5.947 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.627 7.739 4.738 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.439 7.944 6.965 1.00 1.14 N flip ATOM 0 H ASN A 91 12.962 5.541 3.776 1.00 0.32 H new ATOM 0 HA ASN A 91 15.633 5.303 4.749 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.893 5.702 5.964 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.273 5.391 6.998 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.233 7.533 7.875 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.703 8.927 6.898 1.00 1.14 H new ATOM 1340 N ALA A 92 13.782 2.673 4.792 1.00 0.32 N ATOM 1341 CA ALA A 92 13.733 1.249 5.109 1.00 0.34 C ATOM 1342 C ALA A 92 15.065 0.564 4.811 1.00 0.46 C ATOM 1343 O ALA A 92 15.901 0.404 5.701 1.00 0.55 O ATOM 1344 CB ALA A 92 12.608 0.578 4.334 1.00 0.32 C ATOM 0 H ALA A 92 13.078 2.979 4.120 1.00 0.32 H new ATOM 0 HA ALA A 92 13.540 1.149 6.177 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.581 -0.484 4.578 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.657 1.037 4.603 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.780 0.700 3.265 1.00 0.32 H new ATOM 1350 N GLY A 93 15.260 0.164 3.557 1.00 0.53 N ATOM 1351 CA GLY A 93 16.492 -0.505 3.175 1.00 0.68 C ATOM 1352 C GLY A 93 16.666 -1.834 3.885 1.00 0.66 C ATOM 1353 O GLY A 93 17.782 -2.337 4.018 1.00 0.76 O ATOM 0 H GLY A 93 14.588 0.291 2.800 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.496 -0.668 2.097 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.340 0.141 3.403 1.00 0.68 H new ATOM 1357 N ASN A 94 15.555 -2.397 4.346 1.00 0.54 N ATOM 1358 CA ASN A 94 15.569 -3.672 5.053 1.00 0.54 C ATOM 1359 C ASN A 94 14.287 -4.456 4.764 1.00 0.43 C ATOM 1360 O ASN A 94 13.359 -3.920 4.156 1.00 0.39 O ATOM 1361 CB ASN A 94 15.692 -3.418 6.556 1.00 0.59 C ATOM 1362 CG ASN A 94 14.498 -2.661 7.100 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.409 -3.378 7.348 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.548 -1.444 7.281 1.00 2.52 N flip ATOM 0 H ASN A 94 14.627 -1.987 4.242 1.00 0.54 H new ATOM 0 HA ASN A 94 16.421 -4.259 4.710 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.787 -4.370 7.079 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.602 -2.852 6.755 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.407 -0.933 7.077 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.731 -0.947 7.635 1.00 2.52 H new ATOM 1371 N PRO A 95 14.220 -5.743 5.165 1.00 0.41 N ATOM 1372 CA PRO A 95 13.017 -6.559 4.966 1.00 0.35 C ATOM 1373 C PRO A 95 11.817 -5.961 5.693 1.00 0.32 C ATOM 1374 O PRO A 95 11.596 -6.234 6.874 1.00 0.45 O ATOM 1375 CB PRO A 95 13.388 -7.919 5.571 1.00 0.44 C ATOM 1376 CG PRO A 95 14.878 -7.936 5.603 1.00 0.64 C ATOM 1377 CD PRO A 95 15.303 -6.510 5.808 1.00 0.51 C ATOM 0 HA PRO A 95 12.730 -6.623 3.916 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.971 -8.032 6.572 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.997 -8.739 4.968 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.244 -8.572 6.409 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.284 -8.334 4.673 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.397 -6.265 6.866 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.270 -6.307 5.347 1.00 0.51 H new ATOM 1385 N VAL A 96 11.048 -5.142 4.982 1.00 0.28 N ATOM 1386 CA VAL A 96 9.882 -4.488 5.564 1.00 0.33 C ATOM 1387 C VAL A 96 8.583 -5.175 5.159 1.00 0.28 C ATOM 1388 O VAL A 96 8.453 -5.682 4.046 1.00 0.30 O ATOM 1389 CB VAL A 96 9.809 -3.006 5.150 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.957 -2.222 5.764 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.814 -2.872 3.635 1.00 0.38 C ATOM 0 H VAL A 96 11.212 -4.916 4.001 1.00 0.28 H new ATOM 0 HA VAL A 96 9.998 -4.561 6.645 1.00 0.33 H new ATOM 0 HB VAL A 96 8.874 -2.591 5.525 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.888 -1.178 5.460 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.902 -2.288 6.851 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.905 -2.637 5.422 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.762 -1.818 3.363 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.730 -3.305 3.234 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.953 -3.397 3.220 1.00 0.38 H new ATOM 1401 N ARG A 97 7.623 -5.180 6.078 1.00 0.24 N ATOM 1402 CA ARG A 97 6.326 -5.785 5.832 1.00 0.22 C ATOM 1403 C ARG A 97 5.357 -4.745 5.285 1.00 0.18 C ATOM 1404 O ARG A 97 5.305 -3.612 5.771 1.00 0.18 O ATOM 1405 CB ARG A 97 5.770 -6.396 7.122 1.00 0.27 C ATOM 1406 CG ARG A 97 4.464 -7.148 6.925 1.00 0.69 C ATOM 1407 CD ARG A 97 3.964 -7.748 8.230 1.00 0.71 C ATOM 1408 NE ARG A 97 3.655 -6.723 9.223 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.253 -6.995 10.462 1.00 1.38 C ATOM 1410 NH1 ARG A 97 3.116 -8.253 10.857 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.988 -6.006 11.304 1.00 2.37 N ATOM 0 H ARG A 97 7.724 -4.768 7.005 1.00 0.24 H new ATOM 0 HA ARG A 97 6.446 -6.578 5.094 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.512 -7.076 7.541 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.616 -5.602 7.853 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.710 -6.471 6.522 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.606 -7.940 6.190 1.00 0.69 H new ATOM 0 HD2 ARG A 97 3.073 -8.345 8.036 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.719 -8.424 8.631 1.00 0.71 H new ATOM 0 HE ARG A 97 3.753 -5.745 8.952 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.319 -9.015 10.211 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.808 -8.458 11.807 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.092 -5.037 11.002 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.680 -6.214 12.254 1.00 2.37 H new ATOM 1425 N LEU A 98 4.599 -5.135 4.268 1.00 0.19 N ATOM 1426 CA LEU A 98 3.636 -4.240 3.644 1.00 0.18 C ATOM 1427 C LEU A 98 2.206 -4.689 3.922 1.00 0.18 C ATOM 1428 O LEU A 98 1.721 -5.646 3.318 1.00 0.30 O ATOM 1429 CB LEU A 98 3.877 -4.193 2.136 1.00 0.23 C ATOM 1430 CG LEU A 98 5.247 -3.661 1.707 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.489 -3.942 0.233 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.352 -2.170 1.988 1.00 0.37 C ATOM 0 H LEU A 98 4.634 -6.068 3.858 1.00 0.19 H new ATOM 0 HA LEU A 98 3.770 -3.245 4.069 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.754 -5.199 1.734 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.106 -3.571 1.681 1.00 0.23 H new ATOM 0 HG LEU A 98 6.013 -4.176 2.287 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.467 -3.557 -0.055 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.456 -5.017 0.057 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.717 -3.453 -0.362 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.332 -1.809 1.677 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.577 -1.640 1.434 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.222 -1.991 3.055 1.00 0.37 H new ATOM 1444 N LEU A 99 1.534 -3.997 4.837 1.00 0.18 N ATOM 1445 CA LEU A 99 0.155 -4.328 5.174 1.00 0.19 C ATOM 1446 C LEU A 99 -0.803 -3.422 4.413 1.00 0.19 C ATOM 1447 O LEU A 99 -0.937 -2.238 4.726 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.078 -4.200 6.682 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.376 -4.834 7.193 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.369 -6.336 6.948 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.568 -4.537 8.671 1.00 0.36 C ATOM 0 H LEU A 99 1.920 -3.208 5.355 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.033 -5.362 4.884 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.762 -4.657 7.204 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.080 -3.142 6.946 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.211 -4.399 6.643 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.299 -6.769 7.317 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.278 -6.530 5.879 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.526 -6.786 7.472 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.495 -4.995 9.017 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.729 -4.944 9.236 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.618 -3.459 8.822 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.469 -3.983 3.409 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.400 -3.216 2.592 1.00 0.23 C ATOM 1465 C LEU A 100 -3.690 -3.989 2.343 1.00 0.24 C ATOM 1466 O LEU A 100 -3.756 -5.197 2.564 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.743 -2.847 1.259 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.735 -3.871 0.723 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.425 -5.179 0.370 1.00 0.27 C ATOM 1470 CD2 LEU A 100 0.000 -3.313 -0.485 1.00 0.31 C ATOM 0 H LEU A 100 -1.381 -4.964 3.143 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.655 -2.306 3.135 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.525 -2.706 0.513 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.237 -1.889 1.375 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.007 -4.073 1.509 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.689 -5.888 -0.008 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.902 -5.590 1.260 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.180 -4.997 -0.395 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.711 -4.053 -0.852 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.718 -3.078 -1.271 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.534 -2.407 -0.199 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.715 -3.280 1.884 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.002 -3.897 1.599 1.00 0.29 C ATOM 1484 C ILE A 101 -6.272 -3.932 0.098 1.00 0.32 C ATOM 1485 O ILE A 101 -6.077 -2.936 -0.604 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.154 -3.155 2.309 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.499 -3.795 1.952 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.142 -1.678 1.942 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.674 -3.200 2.699 1.00 0.45 C ATOM 0 H ILE A 101 -4.678 -2.277 1.702 1.00 0.25 H new ATOM 0 HA ILE A 101 -5.957 -4.918 1.979 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.011 -3.238 3.386 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.669 -3.688 0.881 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.450 -4.863 2.162 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -7.961 -1.170 2.451 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.194 -1.235 2.247 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.262 -1.570 0.864 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.592 -3.703 2.394 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.527 -3.331 3.771 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.750 -2.137 2.470 1.00 0.45 H new ATOM 1501 N ARG A 102 -6.720 -5.086 -0.386 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.020 -5.261 -1.804 1.00 0.46 C ATOM 1503 C ARG A 102 -8.519 -5.435 -2.015 1.00 0.60 C ATOM 1504 O ARG A 102 -9.158 -6.244 -1.345 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.273 -6.475 -2.361 1.00 0.70 C ATOM 1506 CG ARG A 102 -4.761 -6.320 -2.357 1.00 1.27 C ATOM 1507 CD ARG A 102 -4.293 -5.406 -3.478 1.00 1.35 C ATOM 1508 NE ARG A 102 -4.657 -5.929 -4.792 1.00 1.49 N ATOM 1509 CZ ARG A 102 -5.197 -5.190 -5.756 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -5.446 -3.904 -5.551 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -5.496 -5.739 -6.925 1.00 2.20 N ATOM 0 H ARG A 102 -6.884 -5.916 0.184 1.00 0.39 H new ATOM 0 HA ARG A 102 -6.691 -4.368 -2.336 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.540 -7.354 -1.775 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.607 -6.659 -3.382 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -4.438 -5.916 -1.398 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.293 -7.299 -2.465 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -4.731 -4.416 -3.347 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -3.211 -5.286 -3.421 1.00 1.35 H new ATOM 0 HE ARG A 102 -4.487 -6.917 -4.981 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -5.223 -3.478 -4.651 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -5.860 -3.340 -6.293 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -5.312 -6.729 -7.085 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -5.910 -5.171 -7.664 1.00 2.20 H new