USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 113:sc= 0.489 USER MOD Single : A 25 SER OG : rot -39:sc= 1.07 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180: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+ -165:sc= -0.0302 (180deg=-0.276) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0867 F(o=-2.3!,f=-0.087) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.261 F(o=-4.2!,f=-0.26) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.48 F(o=-2.6!,f=-1.5) USER MOD Single : A 80 MET CE :methyl -128:sc= -2.27 (180deg=-3.66) 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= -0.238 F(o=-3.3!,f=-0.24) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.283 F(o=-1.8,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.723 -7.213 1.645 1.00 0.55 N ATOM 139 CA SER A 12 -9.962 -8.081 2.536 1.00 0.45 C ATOM 140 C SER A 12 -8.568 -7.517 2.780 1.00 0.39 C ATOM 141 O SER A 12 -7.933 -6.985 1.869 1.00 0.38 O ATOM 142 CB SER A 12 -9.862 -9.489 1.945 1.00 0.51 C ATOM 143 OG SER A 12 -9.104 -10.342 2.785 1.00 0.90 O ATOM 0 HA SER A 12 -10.485 -8.133 3.491 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.862 -9.902 1.809 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.400 -9.441 0.959 1.00 0.51 H new ATOM 0 HG SER A 12 -9.056 -11.236 2.386 1.00 0.90 H new ATOM 149 N LEU A 13 -8.096 -7.636 4.017 1.00 0.41 N ATOM 150 CA LEU A 13 -6.777 -7.135 4.386 1.00 0.40 C ATOM 151 C LEU A 13 -5.683 -8.098 3.936 1.00 0.45 C ATOM 152 O LEU A 13 -5.669 -9.265 4.329 1.00 0.68 O ATOM 153 CB LEU A 13 -6.694 -6.920 5.899 1.00 0.56 C ATOM 154 CG LEU A 13 -7.682 -5.899 6.465 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.682 -5.942 7.985 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.340 -4.502 5.973 1.00 0.79 C ATOM 0 H LEU A 13 -8.608 -8.076 4.782 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.625 -6.181 3.882 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.859 -7.876 6.396 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.682 -6.601 6.150 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.682 -6.155 6.114 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.391 -5.209 8.370 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.972 -6.938 8.321 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.683 -5.710 8.356 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.052 -3.787 6.385 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.333 -4.239 6.297 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.389 -4.477 4.884 1.00 0.79 H new ATOM 168 N TYR A 14 -4.767 -7.599 3.111 1.00 0.36 N ATOM 169 CA TYR A 14 -3.666 -8.409 2.606 1.00 0.50 C ATOM 170 C TYR A 14 -2.323 -7.854 3.074 1.00 0.31 C ATOM 171 O TYR A 14 -2.200 -6.664 3.365 1.00 0.37 O ATOM 172 CB TYR A 14 -3.712 -8.467 1.077 1.00 0.80 C ATOM 173 CG TYR A 14 -4.800 -9.368 0.540 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.582 -10.732 0.362 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.047 -8.855 0.206 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.578 -11.554 -0.131 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.047 -9.671 -0.288 1.00 1.34 C ATOM 178 CZ TYR A 14 -6.799 -11.037 -0.441 1.00 1.98 C ATOM 179 OH TYR A 14 -7.799 -11.834 -0.948 1.00 2.73 O ATOM 0 H TYR A 14 -4.767 -6.635 2.778 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.774 -9.419 3.002 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.860 -7.460 0.687 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.748 -8.814 0.705 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.620 -11.154 0.613 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.238 -7.800 0.335 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.387 -12.608 -0.271 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.009 -9.257 -0.553 1.00 1.34 H new ATOM 0 HH TYR A 14 -8.600 -11.292 -1.108 1.00 2.73 H new ATOM 189 N SER A 15 -1.318 -8.724 3.149 1.00 0.43 N ATOM 190 CA SER A 15 0.012 -8.314 3.588 1.00 0.38 C ATOM 191 C SER A 15 1.096 -9.185 2.960 1.00 0.33 C ATOM 192 O SER A 15 0.976 -10.410 2.920 1.00 0.41 O ATOM 193 CB SER A 15 0.109 -8.380 5.114 1.00 0.59 C ATOM 194 OG SER A 15 -0.105 -9.701 5.582 1.00 1.19 O ATOM 0 H SER A 15 -1.399 -9.713 2.912 1.00 0.43 H new ATOM 0 HA SER A 15 0.170 -7.286 3.261 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.091 -8.032 5.435 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.627 -7.710 5.558 1.00 0.59 H new ATOM 0 HG SER A 15 -0.036 -9.717 6.559 1.00 1.19 H new ATOM 200 N VAL A 16 2.154 -8.543 2.471 1.00 0.32 N ATOM 201 CA VAL A 16 3.266 -9.253 1.847 1.00 0.33 C ATOM 202 C VAL A 16 4.600 -8.754 2.396 1.00 0.31 C ATOM 203 O VAL A 16 4.752 -7.570 2.697 1.00 0.44 O ATOM 204 CB VAL A 16 3.254 -9.081 0.315 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.245 -10.031 -0.339 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.853 -9.298 -0.238 1.00 0.56 C ATOM 0 H VAL A 16 2.264 -7.529 2.495 1.00 0.32 H new ATOM 0 HA VAL A 16 3.147 -10.310 2.083 1.00 0.33 H new ATOM 0 HB VAL A 16 3.557 -8.060 0.082 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.221 -9.894 -1.420 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.249 -9.822 0.031 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.977 -11.060 -0.098 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.866 -9.172 -1.321 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.517 -10.306 0.006 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.171 -8.572 0.204 1.00 0.56 H new ATOM 216 N GLU A 17 5.565 -9.661 2.524 1.00 0.33 N ATOM 217 CA GLU A 17 6.882 -9.307 3.049 1.00 0.34 C ATOM 218 C GLU A 17 7.870 -8.997 1.926 1.00 0.32 C ATOM 219 O GLU A 17 8.213 -9.870 1.128 1.00 0.38 O ATOM 220 CB GLU A 17 7.431 -10.438 3.923 1.00 0.45 C ATOM 221 CG GLU A 17 6.642 -10.664 5.203 1.00 0.71 C ATOM 222 CD GLU A 17 5.255 -11.222 4.950 1.00 1.18 C ATOM 223 OE1 GLU A 17 5.123 -12.460 4.848 1.00 1.42 O ATOM 224 OE2 GLU A 17 4.301 -10.422 4.852 1.00 1.74 O ATOM 0 H GLU A 17 5.461 -10.644 2.272 1.00 0.33 H new ATOM 0 HA GLU A 17 6.762 -8.408 3.654 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.438 -11.361 3.344 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.467 -10.216 4.180 1.00 0.45 H new ATOM 0 HG2 GLU A 17 7.192 -11.350 5.847 1.00 0.71 H new ATOM 0 HG3 GLU A 17 6.556 -9.721 5.742 1.00 0.71 H new ATOM 231 N LEU A 18 8.319 -7.744 1.873 1.00 0.31 N ATOM 232 CA LEU A 18 9.277 -7.307 0.861 1.00 0.34 C ATOM 233 C LEU A 18 10.520 -6.717 1.522 1.00 0.38 C ATOM 234 O LEU A 18 10.423 -5.797 2.335 1.00 0.68 O ATOM 235 CB LEU A 18 8.647 -6.265 -0.072 1.00 0.40 C ATOM 236 CG LEU A 18 7.808 -6.822 -1.231 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.631 -7.773 -2.088 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.560 -7.516 -0.711 1.00 0.71 C ATOM 0 H LEU A 18 8.033 -7.011 2.522 1.00 0.31 H new ATOM 0 HA LEU A 18 9.564 -8.178 0.272 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.015 -5.607 0.524 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.444 -5.650 -0.489 1.00 0.40 H new ATOM 0 HG LEU A 18 7.498 -5.983 -1.854 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.015 -8.154 -2.902 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.489 -7.242 -2.500 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.979 -8.605 -1.476 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.982 -7.902 -1.551 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.847 -8.340 -0.058 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.954 -6.804 -0.151 1.00 0.71 H new ATOM 250 N PHE A 19 11.685 -7.245 1.166 1.00 0.41 N ATOM 251 CA PHE A 19 12.944 -6.771 1.733 1.00 0.43 C ATOM 252 C PHE A 19 13.694 -5.884 0.746 1.00 0.49 C ATOM 253 O PHE A 19 13.833 -6.228 -0.428 1.00 0.59 O ATOM 254 CB PHE A 19 13.821 -7.958 2.142 1.00 0.48 C ATOM 255 CG PHE A 19 14.096 -8.922 1.022 1.00 0.82 C ATOM 256 CD1 PHE A 19 13.188 -9.923 0.713 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.261 -8.828 0.276 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.437 -10.811 -0.316 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.516 -9.712 -0.754 1.00 2.08 C ATOM 260 CZ PHE A 19 14.608 -10.707 -1.048 1.00 1.94 C ATOM 0 H PHE A 19 11.785 -8.001 0.488 1.00 0.41 H new ATOM 0 HA PHE A 19 12.712 -6.176 2.616 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.769 -7.582 2.527 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.335 -8.493 2.958 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.275 -10.010 1.283 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.978 -8.053 0.503 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.720 -11.584 -0.549 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.426 -9.624 -1.329 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.810 -11.404 -1.848 1.00 1.94 H new ATOM 270 N ARG A 20 14.174 -4.737 1.224 1.00 0.52 N ATOM 271 CA ARG A 20 14.915 -3.818 0.366 1.00 0.66 C ATOM 272 C ARG A 20 16.415 -3.925 0.622 1.00 0.68 C ATOM 273 O ARG A 20 16.947 -3.289 1.529 1.00 0.83 O ATOM 274 CB ARG A 20 14.454 -2.376 0.582 1.00 0.73 C ATOM 275 CG ARG A 20 14.864 -1.440 -0.547 1.00 0.99 C ATOM 276 CD ARG A 20 14.548 0.010 -0.223 1.00 1.19 C ATOM 277 NE ARG A 20 15.604 0.637 0.568 1.00 1.60 N ATOM 278 CZ ARG A 20 15.800 1.951 0.624 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.013 2.774 -0.056 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.788 2.444 1.360 1.00 3.06 N ATOM 0 H ARG A 20 14.064 -4.426 2.189 1.00 0.52 H new ATOM 0 HA ARG A 20 14.714 -4.098 -0.668 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.369 -2.360 0.683 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.867 -2.006 1.520 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.932 -1.545 -0.736 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.348 -1.728 -1.463 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.410 0.567 -1.150 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.606 0.062 0.323 1.00 1.19 H new ATOM 0 HE ARG A 20 16.225 0.034 1.107 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.254 2.400 -0.625 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.167 3.781 -0.010 1.00 2.52 H new ATOM 0 HH21 ARG A 20 17.397 1.815 1.883 1.00 3.06 H new ATOM 0 HH22 ARG A 20 16.938 3.452 1.403 1.00 3.06 H new ATOM 294 N GLU A 21 17.093 -4.733 -0.188 1.00 0.82 N ATOM 295 CA GLU A 21 18.532 -4.919 -0.051 1.00 0.93 C ATOM 296 C GLU A 21 19.274 -4.131 -1.122 1.00 1.16 C ATOM 297 O GLU A 21 20.456 -3.820 -0.977 1.00 1.57 O ATOM 298 CB GLU A 21 18.889 -6.404 -0.148 1.00 1.09 C ATOM 299 CG GLU A 21 20.357 -6.696 0.118 1.00 1.62 C ATOM 300 CD GLU A 21 20.692 -8.168 -0.017 1.00 2.00 C ATOM 301 OE1 GLU A 21 21.041 -8.598 -1.135 1.00 2.21 O ATOM 302 OE2 GLU A 21 20.607 -8.892 0.998 1.00 2.58 O ATOM 0 H GLU A 21 16.668 -5.269 -0.945 1.00 0.82 H new ATOM 0 HA GLU A 21 18.836 -4.549 0.928 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.281 -6.962 0.564 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.629 -6.767 -1.142 1.00 1.09 H new ATOM 0 HG2 GLU A 21 20.970 -6.122 -0.578 1.00 1.62 H new ATOM 0 HG3 GLU A 21 20.615 -6.359 1.122 1.00 1.62 H new ATOM 309 N LYS A 22 18.564 -3.811 -2.197 1.00 1.11 N ATOM 310 CA LYS A 22 19.140 -3.056 -3.303 1.00 1.40 C ATOM 311 C LYS A 22 19.062 -1.558 -3.030 1.00 1.31 C ATOM 312 O LYS A 22 18.070 -1.065 -2.494 1.00 1.38 O ATOM 313 CB LYS A 22 18.406 -3.387 -4.605 1.00 1.65 C ATOM 314 CG LYS A 22 18.475 -4.857 -4.989 1.00 2.00 C ATOM 315 CD LYS A 22 19.887 -5.272 -5.368 1.00 2.54 C ATOM 316 CE LYS A 22 19.951 -6.743 -5.740 1.00 3.05 C ATOM 317 NZ LYS A 22 21.324 -7.158 -6.138 1.00 3.72 N ATOM 0 H LYS A 22 17.584 -4.064 -2.326 1.00 1.11 H new ATOM 0 HA LYS A 22 20.188 -3.337 -3.402 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.360 -3.095 -4.507 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.829 -2.789 -5.412 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.127 -5.468 -4.156 1.00 2.00 H new ATOM 0 HG3 LYS A 22 17.803 -5.047 -5.826 1.00 2.00 H new ATOM 0 HD2 LYS A 22 20.233 -4.668 -6.207 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.562 -5.076 -4.534 1.00 2.54 H new ATOM 0 HE2 LYS A 22 19.621 -7.346 -4.894 1.00 3.05 H new ATOM 0 HE3 LYS A 22 19.261 -6.940 -6.560 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 21.324 -8.168 -6.384 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 21.630 -6.601 -6.961 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 21.979 -6.995 -5.347 1.00 3.72 H new ATOM 331 N ASP A 23 20.116 -0.838 -3.403 1.00 1.46 N ATOM 332 CA ASP A 23 20.168 0.606 -3.198 1.00 1.51 C ATOM 333 C ASP A 23 19.451 1.346 -4.323 1.00 1.31 C ATOM 334 O ASP A 23 19.888 2.414 -4.755 1.00 1.58 O ATOM 335 CB ASP A 23 21.623 1.073 -3.104 1.00 1.91 C ATOM 336 CG ASP A 23 22.430 0.700 -4.331 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.985 -0.417 -4.358 1.00 2.58 O ATOM 338 OD2 ASP A 23 22.508 1.527 -5.264 1.00 2.87 O ATOM 0 H ASP A 23 20.945 -1.231 -3.849 1.00 1.46 H new ATOM 0 HA ASP A 23 19.658 0.835 -2.262 1.00 1.51 H new ATOM 0 HB2 ASP A 23 21.647 2.155 -2.972 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.086 0.634 -2.220 1.00 1.91 H new ATOM 343 N THR A 24 18.348 0.772 -4.793 1.00 1.02 N ATOM 344 CA THR A 24 17.567 1.377 -5.866 1.00 0.98 C ATOM 345 C THR A 24 16.800 2.595 -5.363 1.00 1.01 C ATOM 346 O THR A 24 16.256 3.366 -6.154 1.00 1.16 O ATOM 347 CB THR A 24 16.569 0.371 -6.471 1.00 1.17 C ATOM 348 OG1 THR A 24 15.588 0.004 -5.494 1.00 1.38 O ATOM 349 CG2 THR A 24 17.289 -0.875 -6.964 1.00 1.19 C ATOM 0 H THR A 24 17.975 -0.112 -4.447 1.00 1.02 H new ATOM 0 HA THR A 24 18.272 1.685 -6.638 1.00 0.98 H new ATOM 0 HB THR A 24 16.077 0.848 -7.318 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.710 0.343 -5.768 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.564 -1.571 -7.387 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.014 -0.597 -7.729 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.805 -1.351 -6.130 1.00 1.19 H new ATOM 357 N SER A 25 16.759 2.755 -4.041 1.00 1.05 N ATOM 358 CA SER A 25 16.060 3.875 -3.418 1.00 1.35 C ATOM 359 C SER A 25 14.579 3.870 -3.788 1.00 1.17 C ATOM 360 O SER A 25 13.879 4.865 -3.603 1.00 1.39 O ATOM 361 CB SER A 25 16.700 5.202 -3.835 1.00 1.79 C ATOM 362 OG SER A 25 16.068 6.298 -3.197 1.00 2.45 O ATOM 0 H SER A 25 17.204 2.119 -3.379 1.00 1.05 H new ATOM 0 HA SER A 25 16.144 3.765 -2.337 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.760 5.193 -3.582 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.631 5.318 -4.917 1.00 1.79 H new ATOM 0 HG SER A 25 15.101 6.141 -3.158 1.00 2.45 H new ATOM 368 N SER A 26 14.108 2.738 -4.304 1.00 0.84 N ATOM 369 CA SER A 26 12.710 2.602 -4.699 1.00 0.72 C ATOM 370 C SER A 26 12.224 1.170 -4.502 1.00 0.58 C ATOM 371 O SER A 26 12.935 0.213 -4.813 1.00 0.69 O ATOM 372 CB SER A 26 12.532 3.016 -6.161 1.00 0.81 C ATOM 373 OG SER A 26 12.919 4.365 -6.361 1.00 1.40 O ATOM 0 H SER A 26 14.673 1.903 -4.458 1.00 0.84 H new ATOM 0 HA SER A 26 12.113 3.258 -4.065 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.127 2.365 -6.801 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.490 2.886 -6.455 1.00 0.81 H new ATOM 0 HG SER A 26 12.797 4.604 -7.304 1.00 1.40 H new ATOM 379 N LEU A 27 11.007 1.032 -3.985 1.00 0.42 N ATOM 380 CA LEU A 27 10.422 -0.282 -3.747 1.00 0.32 C ATOM 381 C LEU A 27 9.496 -0.679 -4.891 1.00 0.29 C ATOM 382 O LEU A 27 9.237 -1.862 -5.112 1.00 0.41 O ATOM 383 CB LEU A 27 9.650 -0.289 -2.424 1.00 0.35 C ATOM 384 CG LEU A 27 10.514 -0.186 -1.166 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.640 -0.068 0.072 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.436 -1.392 -1.054 1.00 0.43 C ATOM 0 H LEU A 27 10.407 1.814 -3.723 1.00 0.42 H new ATOM 0 HA LEU A 27 11.233 -1.008 -3.690 1.00 0.32 H new ATOM 0 HB2 LEU A 27 8.944 0.541 -2.429 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.064 -1.206 -2.369 1.00 0.35 H new ATOM 0 HG LEU A 27 11.127 0.712 -1.241 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.271 0.004 0.958 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.019 0.825 -0.005 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.002 -0.948 0.152 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.044 -1.303 -0.154 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.839 -2.303 -1.000 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.086 -1.435 -1.928 1.00 0.43 H new ATOM 398 N GLY A 28 8.999 0.319 -5.616 1.00 0.29 N ATOM 399 CA GLY A 28 8.108 0.056 -6.730 1.00 0.31 C ATOM 400 C GLY A 28 6.686 0.504 -6.454 1.00 0.29 C ATOM 401 O GLY A 28 5.792 0.291 -7.273 1.00 0.52 O ATOM 0 H GLY A 28 9.198 1.306 -5.451 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.481 0.567 -7.618 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.113 -1.011 -6.951 1.00 0.31 H new ATOM 405 N ILE A 29 6.477 1.129 -5.300 1.00 0.35 N ATOM 406 CA ILE A 29 5.154 1.608 -4.918 1.00 0.32 C ATOM 407 C ILE A 29 4.912 3.022 -5.440 1.00 0.30 C ATOM 408 O ILE A 29 5.584 3.970 -5.030 1.00 0.35 O ATOM 409 CB ILE A 29 4.964 1.592 -3.384 1.00 0.37 C ATOM 410 CG1 ILE A 29 4.908 0.153 -2.859 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.700 2.345 -2.990 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.249 -0.548 -2.851 1.00 0.84 C ATOM 0 H ILE A 29 7.207 1.316 -4.613 1.00 0.35 H new ATOM 0 HA ILE A 29 4.430 0.928 -5.367 1.00 0.32 H new ATOM 0 HB ILE A 29 5.821 2.092 -2.933 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.507 0.162 -1.845 1.00 0.46 H new ATOM 0 HG13 ILE A 29 4.213 -0.420 -3.472 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.585 2.321 -1.906 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.774 3.380 -3.325 1.00 0.36 H new ATOM 0 HG23 ILE A 29 2.835 1.873 -3.457 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.128 -1.561 -2.467 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.644 -0.590 -3.866 1.00 0.84 H new ATOM 0 HD13 ILE A 29 6.943 0.001 -2.214 1.00 0.84 H new ATOM 424 N SER A 30 3.948 3.154 -6.348 1.00 0.27 N ATOM 425 CA SER A 30 3.611 4.450 -6.925 1.00 0.29 C ATOM 426 C SER A 30 2.226 4.896 -6.466 1.00 0.28 C ATOM 427 O SER A 30 1.216 4.547 -7.076 1.00 0.35 O ATOM 428 CB SER A 30 3.661 4.382 -8.452 1.00 0.33 C ATOM 429 OG SER A 30 3.352 5.639 -9.029 1.00 0.95 O ATOM 0 H SER A 30 3.387 2.378 -6.699 1.00 0.27 H new ATOM 0 HA SER A 30 4.344 5.180 -6.581 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.653 4.065 -8.773 1.00 0.33 H new ATOM 0 HB3 SER A 30 2.956 3.631 -8.809 1.00 0.33 H new ATOM 0 HG SER A 30 3.392 5.569 -10.006 1.00 0.95 H new ATOM 435 N ILE A 31 2.189 5.670 -5.387 1.00 0.25 N ATOM 436 CA ILE A 31 0.930 6.158 -4.840 1.00 0.27 C ATOM 437 C ILE A 31 0.511 7.471 -5.492 1.00 0.31 C ATOM 438 O ILE A 31 1.313 8.140 -6.143 1.00 0.41 O ATOM 439 CB ILE A 31 1.022 6.365 -3.315 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.127 7.371 -2.980 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.272 5.036 -2.618 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.187 7.747 -1.514 1.00 0.39 C ATOM 0 H ILE A 31 3.017 5.973 -4.874 1.00 0.25 H new ATOM 0 HA ILE A 31 0.181 5.396 -5.055 1.00 0.27 H new ATOM 0 HB ILE A 31 0.074 6.767 -2.957 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.089 6.953 -3.278 1.00 0.31 H new ATOM 0 HG13 ILE A 31 1.975 8.274 -3.571 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.335 5.196 -1.542 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.453 4.351 -2.836 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.208 4.608 -2.976 1.00 0.35 H new ATOM 0 HD11 ILE A 31 2.994 8.462 -1.355 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.240 8.195 -1.214 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.371 6.854 -0.917 1.00 0.39 H new ATOM 454 N SER A 32 -0.756 7.828 -5.310 1.00 0.37 N ATOM 455 CA SER A 32 -1.295 9.063 -5.866 1.00 0.44 C ATOM 456 C SER A 32 -2.298 9.687 -4.902 1.00 0.55 C ATOM 457 O SER A 32 -3.154 8.997 -4.352 1.00 0.59 O ATOM 458 CB SER A 32 -1.960 8.793 -7.217 1.00 0.48 C ATOM 459 OG SER A 32 -1.030 8.268 -8.147 1.00 1.32 O ATOM 0 H SER A 32 -1.431 7.277 -4.780 1.00 0.37 H new ATOM 0 HA SER A 32 -0.472 9.762 -6.015 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.784 8.091 -7.087 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.387 9.717 -7.607 1.00 0.48 H new ATOM 0 HG SER A 32 -1.480 8.103 -9.002 1.00 1.32 H new ATOM 465 N GLY A 33 -2.183 10.995 -4.701 1.00 0.70 N ATOM 466 CA GLY A 33 -3.083 11.686 -3.794 1.00 0.87 C ATOM 467 C GLY A 33 -4.336 12.189 -4.480 1.00 0.88 C ATOM 468 O GLY A 33 -4.261 12.908 -5.476 1.00 0.95 O ATOM 0 H GLY A 33 -1.485 11.589 -5.148 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.363 11.012 -2.984 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.559 12.528 -3.341 1.00 0.87 H new ATOM 634 N ILE A 46 -4.094 7.810 1.062 1.00 0.46 N ATOM 635 CA ILE A 46 -2.961 7.269 0.320 1.00 0.39 C ATOM 636 C ILE A 46 -3.318 5.931 -0.319 1.00 0.39 C ATOM 637 O ILE A 46 -3.596 4.955 0.377 1.00 0.57 O ATOM 638 CB ILE A 46 -1.729 7.079 1.229 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.395 8.383 1.963 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.535 6.599 0.416 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.098 9.547 1.039 1.00 0.55 C ATOM 0 HA ILE A 46 -2.717 7.991 -0.459 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.964 6.319 1.974 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.231 8.649 2.610 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.533 8.215 2.609 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.325 6.470 1.073 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.776 5.647 -0.057 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.298 7.336 -0.352 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.871 10.433 1.632 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.243 9.303 0.409 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.967 9.744 0.411 1.00 0.55 H new ATOM 653 N TYR A 47 -3.307 5.894 -1.648 1.00 0.30 N ATOM 654 CA TYR A 47 -3.634 4.676 -2.379 1.00 0.30 C ATOM 655 C TYR A 47 -2.718 4.497 -3.586 1.00 0.26 C ATOM 656 O TYR A 47 -2.431 5.451 -4.308 1.00 0.29 O ATOM 657 CB TYR A 47 -5.097 4.703 -2.830 1.00 0.36 C ATOM 658 CG TYR A 47 -5.455 5.910 -3.670 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.710 7.141 -3.080 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.538 5.817 -5.055 1.00 0.48 C ATOM 661 CE1 TYR A 47 -6.038 8.245 -3.844 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.863 6.916 -5.825 1.00 0.57 C ATOM 663 CZ TYR A 47 -6.110 8.128 -5.216 1.00 0.58 C ATOM 664 OH TYR A 47 -6.440 9.224 -5.980 1.00 0.70 O ATOM 0 H TYR A 47 -3.076 6.692 -2.239 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.484 3.830 -1.708 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.308 3.799 -3.401 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.739 4.681 -1.950 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.651 7.237 -2.006 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -5.345 4.870 -5.536 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.237 9.194 -3.369 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.923 6.827 -6.900 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.446 8.973 -6.927 1.00 0.70 H new ATOM 674 N VAL A 48 -2.261 3.266 -3.793 1.00 0.26 N ATOM 675 CA VAL A 48 -1.379 2.955 -4.911 1.00 0.25 C ATOM 676 C VAL A 48 -2.167 2.854 -6.212 1.00 0.28 C ATOM 677 O VAL A 48 -3.267 2.299 -6.241 1.00 0.39 O ATOM 678 CB VAL A 48 -0.620 1.635 -4.673 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.311 1.328 -5.837 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.153 1.695 -3.366 1.00 0.29 C ATOM 0 H VAL A 48 -2.487 2.467 -3.200 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.657 3.768 -4.989 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.350 0.828 -4.604 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.836 0.392 -5.646 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.271 1.237 -6.754 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.036 2.135 -5.946 1.00 0.29 H new ATOM 0 HG21 VAL A 48 0.683 0.755 -3.213 1.00 0.29 H new ATOM 0 HG22 VAL A 48 0.871 2.514 -3.405 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.540 1.859 -2.541 1.00 0.29 H new ATOM 690 N LYS A 49 -1.598 3.392 -7.286 1.00 0.31 N ATOM 691 CA LYS A 49 -2.251 3.368 -8.591 1.00 0.38 C ATOM 692 C LYS A 49 -1.393 2.639 -9.622 1.00 0.32 C ATOM 693 O LYS A 49 -1.915 2.059 -10.575 1.00 0.37 O ATOM 694 CB LYS A 49 -2.534 4.795 -9.066 1.00 0.49 C ATOM 695 CG LYS A 49 -3.257 4.861 -10.405 1.00 0.61 C ATOM 696 CD LYS A 49 -3.371 6.290 -10.915 1.00 0.84 C ATOM 697 CE LYS A 49 -4.250 7.141 -10.010 1.00 1.65 C ATOM 698 NZ LYS A 49 -5.638 6.611 -9.927 1.00 2.40 N ATOM 0 H LYS A 49 -0.687 3.850 -7.279 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.193 2.830 -8.486 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.134 5.307 -8.313 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.591 5.336 -9.145 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.723 4.255 -11.137 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.253 4.431 -10.302 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.378 6.734 -10.980 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.784 6.285 -11.924 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -3.815 7.177 -9.011 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -4.274 8.164 -10.385 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -6.263 7.336 -9.521 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -5.972 6.361 -10.880 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.651 5.765 -9.322 1.00 2.40 H new ATOM 712 N SER A 50 -0.078 2.670 -9.429 1.00 0.28 N ATOM 713 CA SER A 50 0.838 2.017 -10.357 1.00 0.35 C ATOM 714 C SER A 50 2.030 1.402 -9.630 1.00 0.28 C ATOM 715 O SER A 50 2.206 1.587 -8.426 1.00 0.25 O ATOM 716 CB SER A 50 1.332 3.022 -11.400 1.00 0.49 C ATOM 717 OG SER A 50 0.251 3.551 -12.149 1.00 1.28 O ATOM 0 H SER A 50 0.375 3.137 -8.643 1.00 0.28 H new ATOM 0 HA SER A 50 0.292 1.213 -10.851 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.866 3.832 -10.904 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.041 2.536 -12.071 1.00 0.49 H new ATOM 0 HG SER A 50 0.592 4.192 -12.808 1.00 1.28 H new ATOM 723 N LEU A 51 2.844 0.667 -10.381 1.00 0.32 N ATOM 724 CA LEU A 51 4.027 0.015 -9.831 1.00 0.27 C ATOM 725 C LEU A 51 5.214 0.170 -10.779 1.00 0.27 C ATOM 726 O LEU A 51 5.038 0.474 -11.959 1.00 0.42 O ATOM 727 CB LEU A 51 3.745 -1.469 -9.583 1.00 0.30 C ATOM 728 CG LEU A 51 2.654 -1.762 -8.551 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.290 -3.238 -8.569 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.109 -1.345 -7.160 1.00 0.32 C ATOM 0 H LEU A 51 2.704 0.507 -11.379 1.00 0.32 H new ATOM 0 HA LEU A 51 4.274 0.492 -8.883 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.462 -1.931 -10.529 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.668 -1.948 -9.258 1.00 0.30 H new ATOM 0 HG LEU A 51 1.768 -1.183 -8.812 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.513 -3.430 -7.829 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.924 -3.510 -9.559 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.172 -3.833 -8.332 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.320 -1.561 -6.439 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.008 -1.898 -6.890 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.325 -0.277 -7.153 1.00 0.32 H new ATOM 742 N ILE A 52 6.419 -0.039 -10.259 1.00 0.24 N ATOM 743 CA ILE A 52 7.630 0.081 -11.062 1.00 0.24 C ATOM 744 C ILE A 52 8.230 -1.293 -11.368 1.00 0.23 C ATOM 745 O ILE A 52 8.877 -1.895 -10.510 1.00 0.28 O ATOM 746 CB ILE A 52 8.684 0.952 -10.354 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.137 2.367 -10.155 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.980 0.980 -11.157 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.091 3.292 -9.433 1.00 1.26 C ATOM 0 H ILE A 52 6.583 -0.292 -9.285 1.00 0.24 H new ATOM 0 HA ILE A 52 7.346 0.560 -11.999 1.00 0.24 H new ATOM 0 HB ILE A 52 8.903 0.521 -9.377 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.897 2.795 -11.129 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.205 2.311 -9.593 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.714 1.600 -10.642 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.368 -0.034 -11.257 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.786 1.394 -12.147 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.635 4.276 -9.329 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.312 2.888 -8.445 1.00 1.26 H new ATOM 0 HD13 ILE A 52 10.015 3.379 -10.004 1.00 1.26 H new ATOM 761 N PRO A 53 8.022 -1.810 -12.597 1.00 0.31 N ATOM 762 CA PRO A 53 8.546 -3.121 -13.003 1.00 0.35 C ATOM 763 C PRO A 53 10.057 -3.225 -12.822 1.00 0.34 C ATOM 764 O PRO A 53 10.807 -2.359 -13.271 1.00 0.46 O ATOM 765 CB PRO A 53 8.180 -3.213 -14.488 1.00 0.43 C ATOM 766 CG PRO A 53 7.029 -2.284 -14.656 1.00 0.82 C ATOM 767 CD PRO A 53 7.261 -1.164 -13.684 1.00 0.47 C ATOM 0 HA PRO A 53 8.130 -3.926 -12.398 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.019 -2.922 -15.121 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.910 -4.232 -14.766 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.975 -1.909 -15.678 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.085 -2.790 -14.452 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.822 -0.347 -14.138 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.322 -0.744 -13.323 1.00 0.47 H new ATOM 775 N GLY A 54 10.495 -4.292 -12.160 1.00 0.39 N ATOM 776 CA GLY A 54 11.914 -4.493 -11.930 1.00 0.41 C ATOM 777 C GLY A 54 12.289 -4.337 -10.470 1.00 0.39 C ATOM 778 O GLY A 54 13.358 -4.776 -10.046 1.00 0.49 O ATOM 0 H GLY A 54 9.892 -5.021 -11.779 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.197 -5.489 -12.271 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.481 -3.778 -12.527 1.00 0.41 H new ATOM 782 N SER A 55 11.406 -3.709 -9.700 1.00 0.35 N ATOM 783 CA SER A 55 11.649 -3.493 -8.279 1.00 0.35 C ATOM 784 C SER A 55 11.219 -4.708 -7.464 1.00 0.32 C ATOM 785 O SER A 55 10.795 -5.721 -8.021 1.00 0.36 O ATOM 786 CB SER A 55 10.903 -2.248 -7.796 1.00 0.37 C ATOM 787 OG SER A 55 11.339 -1.091 -8.490 1.00 1.23 O ATOM 0 H SER A 55 10.516 -3.341 -10.037 1.00 0.35 H new ATOM 0 HA SER A 55 12.719 -3.343 -8.137 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.831 -2.382 -7.943 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.063 -2.116 -6.726 1.00 0.37 H new ATOM 0 HG SER A 55 10.846 -0.309 -8.164 1.00 1.23 H new ATOM 793 N ALA A 56 11.329 -4.602 -6.143 1.00 0.35 N ATOM 794 CA ALA A 56 10.950 -5.695 -5.256 1.00 0.36 C ATOM 795 C ALA A 56 9.443 -5.922 -5.275 1.00 0.32 C ATOM 796 O ALA A 56 8.974 -7.039 -5.498 1.00 0.34 O ATOM 797 CB ALA A 56 11.425 -5.413 -3.837 1.00 0.42 C ATOM 0 H ALA A 56 11.677 -3.771 -5.664 1.00 0.35 H new ATOM 0 HA ALA A 56 11.432 -6.604 -5.616 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.135 -6.237 -3.186 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.510 -5.310 -3.830 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.970 -4.490 -3.478 1.00 0.42 H new ATOM 803 N ALA A 57 8.688 -4.851 -5.045 1.00 0.30 N ATOM 804 CA ALA A 57 7.232 -4.925 -5.029 1.00 0.30 C ATOM 805 C ALA A 57 6.680 -5.449 -6.352 1.00 0.30 C ATOM 806 O ALA A 57 5.708 -6.205 -6.375 1.00 0.35 O ATOM 807 CB ALA A 57 6.640 -3.559 -4.719 1.00 0.32 C ATOM 0 H ALA A 57 9.063 -3.919 -4.867 1.00 0.30 H new ATOM 0 HA ALA A 57 6.945 -5.628 -4.247 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.552 -3.627 -4.710 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.991 -3.223 -3.743 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.952 -2.846 -5.482 1.00 0.32 H new ATOM 813 N ALA A 58 7.305 -5.043 -7.455 1.00 0.31 N ATOM 814 CA ALA A 58 6.870 -5.466 -8.782 1.00 0.33 C ATOM 815 C ALA A 58 7.134 -6.951 -9.012 1.00 0.34 C ATOM 816 O ALA A 58 6.225 -7.706 -9.357 1.00 0.44 O ATOM 817 CB ALA A 58 7.561 -4.635 -9.851 1.00 0.37 C ATOM 0 H ALA A 58 8.114 -4.422 -7.455 1.00 0.31 H new ATOM 0 HA ALA A 58 5.794 -5.307 -8.846 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.228 -4.960 -10.837 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.311 -3.583 -9.712 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.640 -4.765 -9.772 1.00 0.37 H new ATOM 823 N LEU A 59 8.385 -7.365 -8.822 1.00 0.35 N ATOM 824 CA LEU A 59 8.767 -8.761 -9.011 1.00 0.39 C ATOM 825 C LEU A 59 7.990 -9.675 -8.069 1.00 0.42 C ATOM 826 O LEU A 59 7.880 -10.878 -8.308 1.00 0.57 O ATOM 827 CB LEU A 59 10.270 -8.935 -8.783 1.00 0.47 C ATOM 828 CG LEU A 59 11.170 -8.233 -9.804 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.632 -8.371 -9.408 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.939 -8.800 -11.198 1.00 0.61 C ATOM 0 H LEU A 59 9.150 -6.754 -8.538 1.00 0.35 H new ATOM 0 HA LEU A 59 8.525 -9.040 -10.037 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.516 -8.562 -7.789 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.501 -10.000 -8.790 1.00 0.47 H new ATOM 0 HG LEU A 59 10.915 -7.173 -9.817 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.258 -7.866 -10.144 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.788 -7.919 -8.429 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.900 -9.427 -9.367 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.587 -8.289 -11.910 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.167 -9.866 -11.200 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.898 -8.651 -11.483 1.00 0.61 H new ATOM 842 N ASP A 60 7.453 -9.097 -6.999 1.00 0.44 N ATOM 843 CA ASP A 60 6.687 -9.860 -6.019 1.00 0.52 C ATOM 844 C ASP A 60 5.480 -10.528 -6.671 1.00 0.61 C ATOM 845 O ASP A 60 5.248 -11.724 -6.490 1.00 0.79 O ATOM 846 CB ASP A 60 6.235 -8.951 -4.877 1.00 0.74 C ATOM 847 CG ASP A 60 5.494 -9.709 -3.793 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.152 -10.440 -3.024 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.256 -9.566 -3.711 1.00 1.86 O ATOM 0 H ASP A 60 7.534 -8.102 -6.788 1.00 0.44 H new ATOM 0 HA ASP A 60 7.332 -10.641 -5.616 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.105 -8.459 -4.442 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.590 -8.167 -5.274 1.00 0.74 H new ATOM 854 N GLY A 61 4.715 -9.749 -7.430 1.00 0.72 N ATOM 855 CA GLY A 61 3.547 -10.284 -8.107 1.00 1.06 C ATOM 856 C GLY A 61 2.283 -10.190 -7.274 1.00 0.83 C ATOM 857 O GLY A 61 1.230 -9.799 -7.778 1.00 0.94 O ATOM 0 H GLY A 61 4.883 -8.756 -7.588 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.399 -9.746 -9.044 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.729 -11.327 -8.364 1.00 1.06 H new ATOM 861 N ARG A 62 2.382 -10.551 -5.997 1.00 0.63 N ATOM 862 CA ARG A 62 1.232 -10.512 -5.099 1.00 0.59 C ATOM 863 C ARG A 62 0.692 -9.091 -4.960 1.00 0.52 C ATOM 864 O ARG A 62 -0.468 -8.892 -4.596 1.00 0.69 O ATOM 865 CB ARG A 62 1.609 -11.060 -3.723 1.00 0.67 C ATOM 866 CG ARG A 62 2.247 -12.437 -3.770 1.00 0.81 C ATOM 867 CD ARG A 62 2.702 -12.884 -2.391 1.00 1.05 C ATOM 868 NE ARG A 62 1.584 -13.002 -1.458 1.00 1.31 N ATOM 869 CZ ARG A 62 1.730 -13.282 -0.166 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.941 -13.466 0.343 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.664 -13.376 0.618 1.00 2.59 N ATOM 0 H ARG A 62 3.246 -10.873 -5.562 1.00 0.63 H new ATOM 0 HA ARG A 62 0.451 -11.138 -5.531 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.298 -10.366 -3.241 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.715 -11.104 -3.102 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.533 -13.157 -4.171 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.100 -12.422 -4.449 1.00 0.81 H new ATOM 0 HD2 ARG A 62 3.211 -13.845 -2.471 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.427 -12.171 -2.000 1.00 1.05 H new ATOM 0 HE ARG A 62 0.640 -12.862 -1.817 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.763 -13.393 -0.257 1.00 2.26 H new ATOM 0 HH12 ARG A 62 3.050 -13.681 1.334 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.269 -13.234 0.230 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.777 -13.591 1.609 1.00 2.59 H new ATOM 885 N ILE A 63 1.539 -8.107 -5.247 1.00 0.48 N ATOM 886 CA ILE A 63 1.141 -6.708 -5.153 1.00 0.48 C ATOM 887 C ILE A 63 0.564 -6.211 -6.474 1.00 0.49 C ATOM 888 O ILE A 63 1.260 -6.160 -7.488 1.00 0.59 O ATOM 889 CB ILE A 63 2.326 -5.808 -4.750 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.960 -6.315 -3.452 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.863 -4.364 -4.594 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.227 -5.582 -3.066 1.00 0.92 C ATOM 0 H ILE A 63 2.503 -8.253 -5.546 1.00 0.48 H new ATOM 0 HA ILE A 63 0.375 -6.650 -4.380 1.00 0.48 H new ATOM 0 HB ILE A 63 3.079 -5.845 -5.538 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.235 -6.220 -2.643 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.183 -7.377 -3.558 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.710 -3.739 -4.309 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.452 -4.010 -5.539 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.096 -4.309 -3.822 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.618 -5.996 -2.137 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.969 -5.698 -3.856 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.007 -4.524 -2.927 1.00 0.92 H new ATOM 904 N GLU A 64 -0.713 -5.846 -6.452 1.00 0.51 N ATOM 905 CA GLU A 64 -1.395 -5.352 -7.642 1.00 0.58 C ATOM 906 C GLU A 64 -1.860 -3.910 -7.434 1.00 0.56 C ATOM 907 O GLU A 64 -2.326 -3.560 -6.350 1.00 0.66 O ATOM 908 CB GLU A 64 -2.592 -6.249 -7.971 1.00 0.79 C ATOM 909 CG GLU A 64 -3.331 -5.849 -9.240 1.00 1.09 C ATOM 910 CD GLU A 64 -4.542 -6.719 -9.512 1.00 1.39 C ATOM 911 OE1 GLU A 64 -4.368 -7.816 -10.084 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.664 -6.307 -9.150 1.00 1.98 O ATOM 0 H GLU A 64 -1.299 -5.883 -5.618 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.695 -5.373 -8.477 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.246 -7.278 -8.073 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.290 -6.229 -7.134 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.647 -4.809 -9.159 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.648 -5.909 -10.087 1.00 1.09 H new ATOM 919 N PRO A 65 -1.738 -3.050 -8.466 1.00 0.56 N ATOM 920 CA PRO A 65 -2.159 -1.645 -8.379 1.00 0.64 C ATOM 921 C PRO A 65 -3.619 -1.503 -7.956 1.00 0.72 C ATOM 922 O PRO A 65 -4.302 -2.498 -7.707 1.00 1.44 O ATOM 923 CB PRO A 65 -1.959 -1.108 -9.804 1.00 0.77 C ATOM 924 CG PRO A 65 -1.805 -2.317 -10.665 1.00 0.83 C ATOM 925 CD PRO A 65 -1.179 -3.362 -9.792 1.00 0.62 C ATOM 0 HA PRO A 65 -1.587 -1.101 -7.627 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.811 -0.506 -10.120 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.078 -0.469 -9.863 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.770 -2.652 -11.045 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.178 -2.103 -11.531 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.440 -4.370 -10.115 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.091 -3.297 -9.799 1.00 0.62 H new ATOM 933 N ASN A 66 -4.091 -0.262 -7.881 1.00 0.60 N ATOM 934 CA ASN A 66 -5.469 0.013 -7.482 1.00 0.59 C ATOM 935 C ASN A 66 -5.734 -0.501 -6.069 1.00 0.51 C ATOM 936 O ASN A 66 -6.761 -1.128 -5.806 1.00 0.73 O ATOM 937 CB ASN A 66 -6.456 -0.625 -8.467 1.00 0.66 C ATOM 938 CG ASN A 66 -6.512 0.103 -9.798 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.388 0.678 -10.214 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -7.556 0.144 -10.449 1.00 2.01 N flip ATOM 0 H ASN A 66 -3.540 0.570 -8.091 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.614 1.093 -7.493 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.172 -1.663 -8.638 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.451 -0.636 -8.022 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -8.397 -0.311 -10.093 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.580 0.633 -11.344 1.00 2.01 H new ATOM 947 N ASP A 67 -4.798 -0.232 -5.164 1.00 0.36 N ATOM 948 CA ASP A 67 -4.922 -0.664 -3.777 1.00 0.34 C ATOM 949 C ASP A 67 -4.751 0.517 -2.826 1.00 0.30 C ATOM 950 O ASP A 67 -4.494 1.640 -3.259 1.00 0.38 O ATOM 951 CB ASP A 67 -3.882 -1.740 -3.463 1.00 0.41 C ATOM 952 CG ASP A 67 -2.465 -1.260 -3.706 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.006 -1.328 -4.866 1.00 2.02 O ATOM 954 OD2 ASP A 67 -1.813 -0.819 -2.737 1.00 1.46 O ATOM 0 H ASP A 67 -3.943 0.285 -5.368 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.919 -1.081 -3.637 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.985 -2.049 -2.423 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -4.076 -2.619 -4.077 1.00 0.41 H new ATOM 959 N LYS A 68 -4.898 0.259 -1.529 1.00 0.27 N ATOM 960 CA LYS A 68 -4.755 1.307 -0.525 1.00 0.28 C ATOM 961 C LYS A 68 -3.823 0.867 0.600 1.00 0.26 C ATOM 962 O LYS A 68 -4.060 -0.150 1.254 1.00 0.38 O ATOM 963 CB LYS A 68 -6.122 1.683 0.048 1.00 0.37 C ATOM 964 CG LYS A 68 -6.052 2.741 1.135 1.00 0.53 C ATOM 965 CD LYS A 68 -7.405 2.958 1.791 1.00 0.53 C ATOM 966 CE LYS A 68 -7.307 3.948 2.937 1.00 0.58 C ATOM 967 NZ LYS A 68 -8.610 4.118 3.638 1.00 1.02 N ATOM 0 H LYS A 68 -5.115 -0.663 -1.151 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.318 2.180 -1.011 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -6.759 2.044 -0.759 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.596 0.789 0.452 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.325 2.441 1.890 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -5.699 3.680 0.708 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.116 3.324 1.051 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -7.790 2.007 2.160 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -6.554 3.607 3.648 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -6.972 4.912 2.556 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -8.500 4.802 4.414 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.323 4.468 2.966 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -8.918 3.203 4.024 1.00 1.02 H new ATOM 981 N ILE A 69 -2.763 1.638 0.819 1.00 0.24 N ATOM 982 CA ILE A 69 -1.800 1.335 1.871 1.00 0.21 C ATOM 983 C ILE A 69 -2.374 1.681 3.240 1.00 0.21 C ATOM 984 O ILE A 69 -3.104 2.663 3.385 1.00 0.29 O ATOM 985 CB ILE A 69 -0.480 2.106 1.665 1.00 0.23 C ATOM 986 CG1 ILE A 69 0.065 1.873 0.252 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.545 1.694 2.711 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.400 0.425 -0.044 1.00 0.28 C ATOM 0 H ILE A 69 -2.549 2.478 0.281 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.593 0.266 1.822 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.680 3.171 1.782 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.671 2.221 -0.473 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.961 2.479 0.114 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.470 2.247 2.551 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.158 1.914 3.706 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.742 0.625 2.626 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.780 0.340 -1.062 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.159 0.077 0.656 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.497 -0.185 0.061 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.044 0.872 4.242 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.539 1.098 5.596 1.00 0.21 C ATOM 1002 C LEU A 70 -1.393 1.249 6.590 1.00 0.20 C ATOM 1003 O LEU A 70 -1.188 2.322 7.163 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.447 -0.058 6.024 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.616 -0.349 5.082 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.407 -1.553 5.570 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.520 0.869 4.956 1.00 0.38 C ATOM 0 H LEU A 70 -1.438 0.057 4.143 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.109 2.027 5.592 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.842 -0.960 6.116 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.845 0.161 7.015 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.212 -0.579 4.096 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.235 -1.745 4.888 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.756 -2.426 5.605 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.798 -1.351 6.567 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.345 0.641 4.282 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.915 1.132 5.937 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -4.948 1.707 4.559 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.644 0.169 6.791 1.00 0.20 N ATOM 1020 CA ARG A 71 0.471 0.184 7.728 1.00 0.25 C ATOM 1021 C ARG A 71 1.714 -0.467 7.132 1.00 0.18 C ATOM 1022 O ARG A 71 1.633 -1.502 6.471 1.00 0.26 O ATOM 1023 CB ARG A 71 0.079 -0.536 9.019 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.036 0.155 9.788 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.497 -0.679 10.971 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.387 -1.063 11.840 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.495 -1.202 13.158 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.654 -0.967 13.761 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.555 -1.574 13.877 1.00 2.61 N ATOM 0 H ARG A 71 -0.789 -0.724 6.319 1.00 0.20 H new ATOM 0 HA ARG A 71 0.708 1.225 7.946 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.233 -1.552 8.778 1.00 0.38 H new ATOM 0 HB3 ARG A 71 0.956 -0.616 9.661 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.689 1.126 10.140 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.879 0.340 9.122 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.230 -0.115 11.548 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.999 -1.576 10.608 1.00 0.77 H new ATOM 0 HE ARG A 71 0.523 -1.234 11.411 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.465 -0.679 13.213 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.734 -1.074 14.772 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.449 -1.754 13.419 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.469 -1.680 14.888 1.00 2.61 H new ATOM 1043 N VAL A 72 2.862 0.154 7.372 1.00 0.21 N ATOM 1044 CA VAL A 72 4.137 -0.359 6.888 1.00 0.17 C ATOM 1045 C VAL A 72 4.916 -0.976 8.049 1.00 0.17 C ATOM 1046 O VAL A 72 4.493 -0.875 9.199 1.00 0.20 O ATOM 1047 CB VAL A 72 4.976 0.761 6.231 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.146 0.185 5.443 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.101 1.624 5.334 1.00 0.28 C ATOM 0 H VAL A 72 2.936 1.021 7.904 1.00 0.21 H new ATOM 0 HA VAL A 72 3.936 -1.120 6.134 1.00 0.17 H new ATOM 0 HB VAL A 72 5.384 1.385 7.026 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.717 0.997 4.993 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.791 -0.384 6.113 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.769 -0.471 4.659 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.707 2.408 4.879 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.661 1.006 4.552 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.307 2.078 5.928 1.00 0.28 H new ATOM 1059 N ASP A 73 6.033 -1.629 7.747 1.00 0.18 N ATOM 1060 CA ASP A 73 6.858 -2.256 8.777 1.00 0.21 C ATOM 1061 C ASP A 73 7.097 -1.318 9.961 1.00 0.22 C ATOM 1062 O ASP A 73 7.851 -0.350 9.858 1.00 0.23 O ATOM 1063 CB ASP A 73 8.201 -2.681 8.184 1.00 0.26 C ATOM 1064 CG ASP A 73 8.958 -3.634 9.085 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.746 -4.859 8.964 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.766 -3.158 9.910 1.00 0.56 O ATOM 0 H ASP A 73 6.389 -1.739 6.798 1.00 0.18 H new ATOM 0 HA ASP A 73 6.320 -3.131 9.142 1.00 0.21 H new ATOM 0 HB2 ASP A 73 8.034 -3.156 7.217 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.811 -1.796 8.003 1.00 0.26 H new ATOM 1071 N ASP A 74 6.451 -1.624 11.086 1.00 0.25 N ATOM 1072 CA ASP A 74 6.589 -0.833 12.310 1.00 0.29 C ATOM 1073 C ASP A 74 6.409 0.665 12.054 1.00 0.25 C ATOM 1074 O ASP A 74 6.877 1.492 12.838 1.00 0.29 O ATOM 1075 CB ASP A 74 7.957 -1.086 12.950 1.00 0.35 C ATOM 1076 CG ASP A 74 8.160 -2.539 13.331 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.788 -2.915 14.463 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.691 -3.303 12.497 1.00 2.01 O ATOM 0 H ASP A 74 5.821 -2.421 11.175 1.00 0.25 H new ATOM 0 HA ASP A 74 5.798 -1.150 12.990 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.741 -0.783 12.256 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.060 -0.463 13.839 1.00 0.35 H new ATOM 1083 N VAL A 75 5.730 1.014 10.965 1.00 0.27 N ATOM 1084 CA VAL A 75 5.502 2.418 10.627 1.00 0.27 C ATOM 1085 C VAL A 75 4.133 2.626 9.986 1.00 0.37 C ATOM 1086 O VAL A 75 3.929 2.300 8.817 1.00 0.79 O ATOM 1087 CB VAL A 75 6.585 2.953 9.665 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.307 4.404 9.300 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.969 2.812 10.277 1.00 0.41 C ATOM 0 H VAL A 75 5.329 0.349 10.304 1.00 0.27 H new ATOM 0 HA VAL A 75 5.548 2.970 11.566 1.00 0.27 H new ATOM 0 HB VAL A 75 6.554 2.356 8.753 1.00 0.36 H new ATOM 0 HG11 VAL A 75 7.081 4.763 8.622 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.335 4.477 8.813 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.306 5.013 10.204 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.715 3.195 9.581 1.00 0.41 H new ATOM 0 HG22 VAL A 75 8.015 3.379 11.207 1.00 0.41 H new ATOM 0 HG23 VAL A 75 8.171 1.761 10.482 1.00 0.41 H new ATOM 1099 N ASN A 76 3.200 3.180 10.755 1.00 0.30 N ATOM 1100 CA ASN A 76 1.853 3.445 10.258 1.00 0.37 C ATOM 1101 C ASN A 76 1.875 4.589 9.247 1.00 0.42 C ATOM 1102 O ASN A 76 2.651 5.535 9.392 1.00 0.58 O ATOM 1103 CB ASN A 76 0.920 3.797 11.419 1.00 0.46 C ATOM 1104 CG ASN A 76 0.906 2.730 12.495 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -0.025 1.791 12.383 1.00 2.24 O flip ATOM 1106 ND2 ASN A 76 1.719 2.751 13.419 1.00 2.08 N flip ATOM 0 H ASN A 76 3.352 3.454 11.726 1.00 0.30 H new ATOM 0 HA ASN A 76 1.484 2.545 9.765 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.231 4.746 11.856 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.092 3.938 11.038 1.00 0.46 H new ATOM 0 HD21 ASN A 76 2.418 3.492 13.466 1.00 2.08 H new ATOM 0 HD22 ASN A 76 1.693 2.027 14.137 1.00 2.08 H new ATOM 1113 N VAL A 77 1.026 4.503 8.226 1.00 0.35 N ATOM 1114 CA VAL A 77 0.967 5.542 7.201 1.00 0.43 C ATOM 1115 C VAL A 77 -0.458 6.043 6.996 1.00 0.53 C ATOM 1116 O VAL A 77 -0.843 6.415 5.887 1.00 0.67 O ATOM 1117 CB VAL A 77 1.525 5.042 5.857 1.00 0.47 C ATOM 1118 CG1 VAL A 77 3.024 4.806 5.955 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.810 3.775 5.419 1.00 0.53 C ATOM 0 H VAL A 77 0.374 3.731 8.086 1.00 0.35 H new ATOM 0 HA VAL A 77 1.586 6.365 7.557 1.00 0.43 H new ATOM 0 HB VAL A 77 1.348 5.811 5.105 1.00 0.47 H new ATOM 0 HG11 VAL A 77 3.400 4.453 4.995 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.523 5.739 6.219 1.00 0.45 H new ATOM 0 HG13 VAL A 77 3.225 4.057 6.721 1.00 0.45 H new ATOM 0 HG21 VAL A 77 1.219 3.437 4.467 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.952 2.999 6.171 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.255 3.979 5.305 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.235 6.052 8.071 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.618 6.510 8.013 1.00 0.72 C ATOM 1131 C GLN A 78 -2.746 7.940 8.533 1.00 0.61 C ATOM 1132 O GLN A 78 -3.771 8.313 9.104 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.518 5.576 8.823 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.564 4.159 8.276 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.095 4.100 6.857 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.198 4.231 5.885 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.295 3.943 6.636 1.00 1.05 N flip ATOM 0 H GLN A 78 -0.931 5.747 8.996 1.00 0.59 H new ATOM 0 HA GLN A 78 -2.935 6.497 6.970 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.166 5.548 9.854 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.529 5.983 8.842 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.562 3.730 8.304 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.192 3.544 8.921 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.948 3.847 7.413 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -5.637 3.909 5.675 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.698 8.736 8.332 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.722 10.115 8.788 1.00 0.48 C ATOM 1148 C GLY A 79 -0.455 10.873 8.439 1.00 0.41 C ATOM 1149 O GLY A 79 0.048 11.654 9.248 1.00 0.55 O ATOM 0 H GLY A 79 -0.837 8.452 7.864 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.578 10.624 8.345 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.864 10.133 9.869 1.00 0.48 H new ATOM 1153 N MET A 80 0.062 10.648 7.234 1.00 0.32 N ATOM 1154 CA MET A 80 1.276 11.325 6.787 1.00 0.33 C ATOM 1155 C MET A 80 1.147 11.769 5.334 1.00 0.30 C ATOM 1156 O MET A 80 0.523 11.089 4.519 1.00 0.34 O ATOM 1157 CB MET A 80 2.489 10.409 6.949 1.00 0.39 C ATOM 1158 CG MET A 80 2.792 10.052 8.396 1.00 0.46 C ATOM 1159 SD MET A 80 4.380 9.219 8.590 1.00 0.52 S ATOM 1160 CE MET A 80 4.137 7.778 7.558 1.00 0.48 C ATOM 0 H MET A 80 -0.339 10.005 6.552 1.00 0.32 H new ATOM 0 HA MET A 80 1.417 12.210 7.407 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.319 9.492 6.385 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.362 10.895 6.513 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.787 10.960 8.999 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.000 9.410 8.781 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.380 6.879 8.125 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.097 7.733 7.235 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.786 7.843 6.684 1.00 0.48 H new ATOM 1170 N ALA A 81 1.743 12.917 5.018 1.00 0.29 N ATOM 1171 CA ALA A 81 1.696 13.457 3.663 1.00 0.31 C ATOM 1172 C ALA A 81 2.470 12.574 2.692 1.00 0.26 C ATOM 1173 O ALA A 81 3.312 11.777 3.105 1.00 0.23 O ATOM 1174 CB ALA A 81 2.243 14.876 3.639 1.00 0.39 C ATOM 0 H ALA A 81 2.264 13.490 5.682 1.00 0.29 H new ATOM 0 HA ALA A 81 0.654 13.476 3.344 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.201 15.265 2.622 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.643 15.508 4.294 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.277 14.873 3.984 1.00 0.39 H new ATOM 1180 N GLN A 82 2.181 12.726 1.402 1.00 0.33 N ATOM 1181 CA GLN A 82 2.840 11.939 0.363 1.00 0.35 C ATOM 1182 C GLN A 82 4.357 11.922 0.550 1.00 0.31 C ATOM 1183 O GLN A 82 4.970 10.855 0.601 1.00 0.31 O ATOM 1184 CB GLN A 82 2.492 12.498 -1.019 1.00 0.42 C ATOM 1185 CG GLN A 82 3.142 11.742 -2.165 1.00 0.51 C ATOM 1186 CD GLN A 82 2.720 12.268 -3.523 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.346 13.176 -4.071 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.654 11.699 -4.073 1.00 0.74 N ATOM 0 H GLN A 82 1.492 13.390 1.050 1.00 0.33 H new ATOM 0 HA GLN A 82 2.479 10.913 0.442 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.410 12.476 -1.148 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.797 13.543 -1.066 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.226 11.812 -2.073 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.883 10.686 -2.092 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.166 10.949 -3.583 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.323 12.011 -4.986 1.00 0.74 H new ATOM 1197 N SER A 83 4.951 13.107 0.653 1.00 0.32 N ATOM 1198 CA SER A 83 6.396 13.232 0.829 1.00 0.35 C ATOM 1199 C SER A 83 6.889 12.388 2.001 1.00 0.30 C ATOM 1200 O SER A 83 7.960 11.784 1.936 1.00 0.35 O ATOM 1201 CB SER A 83 6.778 14.697 1.051 1.00 0.44 C ATOM 1202 OG SER A 83 8.176 14.836 1.240 1.00 1.48 O ATOM 0 H SER A 83 4.454 13.997 0.618 1.00 0.32 H new ATOM 0 HA SER A 83 6.874 12.866 -0.080 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.463 15.292 0.194 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.250 15.086 1.921 1.00 0.44 H new ATOM 0 HG SER A 83 8.395 15.781 1.378 1.00 1.48 H new ATOM 1208 N ASP A 84 6.101 12.348 3.071 1.00 0.24 N ATOM 1209 CA ASP A 84 6.465 11.582 4.257 1.00 0.24 C ATOM 1210 C ASP A 84 6.418 10.080 3.984 1.00 0.20 C ATOM 1211 O ASP A 84 7.263 9.327 4.469 1.00 0.24 O ATOM 1212 CB ASP A 84 5.536 11.931 5.420 1.00 0.27 C ATOM 1213 CG ASP A 84 5.677 13.376 5.858 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.003 14.245 5.267 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.463 13.639 6.794 1.00 0.97 O ATOM 0 H ASP A 84 5.208 12.836 3.141 1.00 0.24 H new ATOM 0 HA ASP A 84 7.488 11.847 4.524 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.503 11.742 5.126 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.752 11.276 6.264 1.00 0.27 H new ATOM 1220 N VAL A 85 5.427 9.649 3.207 1.00 0.19 N ATOM 1221 CA VAL A 85 5.279 8.235 2.876 1.00 0.22 C ATOM 1222 C VAL A 85 6.485 7.730 2.092 1.00 0.21 C ATOM 1223 O VAL A 85 6.987 6.633 2.344 1.00 0.24 O ATOM 1224 CB VAL A 85 4.003 7.975 2.050 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.745 6.482 1.919 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.805 8.673 2.675 1.00 0.30 C ATOM 0 H VAL A 85 4.718 10.256 2.797 1.00 0.19 H new ATOM 0 HA VAL A 85 5.204 7.697 3.821 1.00 0.22 H new ATOM 0 HB VAL A 85 4.154 8.386 1.052 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.840 6.319 1.333 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.591 6.009 1.420 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.619 6.046 2.910 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.916 8.476 2.076 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.652 8.297 3.687 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.988 9.747 2.711 1.00 0.30 H new ATOM 1236 N VAL A 86 6.946 8.538 1.143 1.00 0.22 N ATOM 1237 CA VAL A 86 8.094 8.177 0.321 1.00 0.25 C ATOM 1238 C VAL A 86 9.364 8.091 1.162 1.00 0.24 C ATOM 1239 O VAL A 86 10.223 7.241 0.923 1.00 0.26 O ATOM 1240 CB VAL A 86 8.308 9.188 -0.822 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.486 8.776 -1.694 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.044 9.322 -1.656 1.00 0.34 C ATOM 0 H VAL A 86 6.541 9.448 0.924 1.00 0.22 H new ATOM 0 HA VAL A 86 7.882 7.199 -0.110 1.00 0.25 H new ATOM 0 HB VAL A 86 8.536 10.159 -0.382 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.618 9.504 -2.494 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.391 8.735 -1.088 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.293 7.794 -2.125 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.212 10.040 -2.459 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.786 8.353 -2.084 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.226 9.669 -1.024 1.00 0.34 H new ATOM 1252 N GLU A 87 9.477 8.977 2.148 1.00 0.25 N ATOM 1253 CA GLU A 87 10.642 8.996 3.028 1.00 0.26 C ATOM 1254 C GLU A 87 10.801 7.661 3.747 1.00 0.24 C ATOM 1255 O GLU A 87 11.886 7.079 3.762 1.00 0.26 O ATOM 1256 CB GLU A 87 10.520 10.130 4.049 1.00 0.32 C ATOM 1257 CG GLU A 87 10.825 11.503 3.473 1.00 0.75 C ATOM 1258 CD GLU A 87 12.281 11.658 3.075 1.00 1.04 C ATOM 1259 OE1 GLU A 87 12.624 11.301 1.928 1.00 1.51 O ATOM 1260 OE2 GLU A 87 13.077 12.138 3.909 1.00 1.19 O ATOM 0 H GLU A 87 8.778 9.690 2.357 1.00 0.25 H new ATOM 0 HA GLU A 87 11.527 9.165 2.415 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.509 10.133 4.457 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.199 9.935 4.879 1.00 0.32 H new ATOM 0 HG2 GLU A 87 10.194 11.676 2.602 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.570 12.266 4.208 1.00 0.75 H new ATOM 1267 N VAL A 88 9.714 7.179 4.341 1.00 0.22 N ATOM 1268 CA VAL A 88 9.733 5.911 5.062 1.00 0.22 C ATOM 1269 C VAL A 88 10.176 4.765 4.159 1.00 0.23 C ATOM 1270 O VAL A 88 11.102 4.022 4.491 1.00 0.25 O ATOM 1271 CB VAL A 88 8.345 5.580 5.649 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.307 4.151 6.172 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.984 6.567 6.750 1.00 0.27 C ATOM 0 H VAL A 88 8.808 7.648 4.337 1.00 0.22 H new ATOM 0 HA VAL A 88 10.450 6.023 5.876 1.00 0.22 H new ATOM 0 HB VAL A 88 7.606 5.668 4.853 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.319 3.939 6.581 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.518 3.459 5.356 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.057 4.030 6.954 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.002 6.319 7.153 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.727 6.513 7.545 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.964 7.577 6.341 1.00 0.27 H new ATOM 1283 N LEU A 89 9.509 4.627 3.018 1.00 0.24 N ATOM 1284 CA LEU A 89 9.826 3.564 2.073 1.00 0.28 C ATOM 1285 C LEU A 89 11.278 3.650 1.604 1.00 0.32 C ATOM 1286 O LEU A 89 11.903 2.631 1.310 1.00 0.39 O ATOM 1287 CB LEU A 89 8.887 3.628 0.866 1.00 0.32 C ATOM 1288 CG LEU A 89 7.395 3.507 1.190 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.567 3.583 -0.083 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.110 2.211 1.935 1.00 0.35 C ATOM 0 H LEU A 89 8.746 5.238 2.726 1.00 0.24 H new ATOM 0 HA LEU A 89 9.689 2.613 2.587 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.054 4.572 0.347 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.157 2.831 0.174 1.00 0.32 H new ATOM 0 HG LEU A 89 7.116 4.340 1.835 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.509 3.495 0.165 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.746 4.538 -0.577 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.851 2.770 -0.751 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.045 2.145 2.156 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.406 1.363 1.317 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.675 2.195 2.867 1.00 0.35 H new ATOM 1302 N ARG A 90 11.810 4.869 1.535 1.00 0.31 N ATOM 1303 CA ARG A 90 13.187 5.076 1.095 1.00 0.37 C ATOM 1304 C ARG A 90 14.167 4.924 2.254 1.00 0.37 C ATOM 1305 O ARG A 90 15.378 4.842 2.047 1.00 0.48 O ATOM 1306 CB ARG A 90 13.344 6.457 0.454 1.00 0.41 C ATOM 1307 CG ARG A 90 12.696 6.566 -0.914 1.00 0.49 C ATOM 1308 CD ARG A 90 13.146 7.820 -1.648 1.00 0.72 C ATOM 1309 NE ARG A 90 12.682 9.041 -0.994 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.862 10.259 -1.499 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.502 10.414 -2.650 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.403 11.321 -0.852 1.00 2.10 N ATOM 0 H ARG A 90 11.310 5.725 1.777 1.00 0.31 H new ATOM 0 HA ARG A 90 13.416 4.312 0.352 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.909 7.207 1.114 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.405 6.689 0.364 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.947 5.687 -1.507 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.612 6.577 -0.804 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.234 7.833 -1.707 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.772 7.794 -2.671 1.00 0.72 H new ATOM 0 HE ARG A 90 12.194 8.955 -0.102 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.857 9.599 -3.150 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.639 11.348 -3.036 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.911 11.205 0.034 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.542 12.254 -1.240 1.00 2.10 H new ATOM 1326 N ASN A 91 13.637 4.888 3.472 1.00 0.32 N ATOM 1327 CA ASN A 91 14.466 4.744 4.663 1.00 0.36 C ATOM 1328 C ASN A 91 14.508 3.290 5.126 1.00 0.36 C ATOM 1329 O ASN A 91 15.316 2.926 5.981 1.00 0.42 O ATOM 1330 CB ASN A 91 13.940 5.636 5.790 1.00 0.38 C ATOM 1331 CG ASN A 91 14.315 7.096 5.603 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.444 7.525 4.352 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.485 7.831 6.575 1.00 1.14 N flip ATOM 0 H ASN A 91 12.637 4.957 3.660 1.00 0.32 H new ATOM 0 HA ASN A 91 15.479 5.054 4.408 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.855 5.547 5.842 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.335 5.282 6.742 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.376 7.461 7.519 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.735 8.810 6.436 1.00 1.14 H new ATOM 1340 N ALA A 92 13.632 2.466 4.556 1.00 0.32 N ATOM 1341 CA ALA A 92 13.565 1.051 4.908 1.00 0.34 C ATOM 1342 C ALA A 92 14.922 0.367 4.742 1.00 0.46 C ATOM 1343 O ALA A 92 15.688 0.257 5.700 1.00 0.55 O ATOM 1344 CB ALA A 92 12.510 0.348 4.067 1.00 0.32 C ATOM 0 H ALA A 92 12.958 2.755 3.847 1.00 0.32 H new ATOM 0 HA ALA A 92 13.285 0.981 5.959 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.471 -0.707 4.340 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.537 0.806 4.246 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.765 0.440 3.011 1.00 0.32 H new ATOM 1350 N GLY A 93 15.218 -0.089 3.526 1.00 0.53 N ATOM 1351 CA GLY A 93 16.484 -0.757 3.272 1.00 0.68 C ATOM 1352 C GLY A 93 16.632 -2.044 4.063 1.00 0.66 C ATOM 1353 O GLY A 93 17.744 -2.539 4.259 1.00 0.76 O ATOM 0 H GLY A 93 14.605 -0.008 2.715 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.568 -0.977 2.208 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.303 -0.084 3.524 1.00 0.68 H new ATOM 1357 N ASN A 94 15.508 -2.583 4.519 1.00 0.54 N ATOM 1358 CA ASN A 94 15.504 -3.817 5.298 1.00 0.54 C ATOM 1359 C ASN A 94 14.233 -4.623 5.015 1.00 0.43 C ATOM 1360 O ASN A 94 13.314 -4.116 4.371 1.00 0.39 O ATOM 1361 CB ASN A 94 15.585 -3.476 6.788 1.00 0.59 C ATOM 1362 CG ASN A 94 14.348 -2.749 7.271 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.295 -3.507 7.554 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.333 -1.523 7.379 1.00 2.52 N flip ATOM 0 H ASN A 94 14.583 -2.183 4.362 1.00 0.54 H new ATOM 0 HA ASN A 94 16.366 -4.421 5.014 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.715 -4.393 7.363 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.464 -2.858 6.971 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.166 -0.981 7.150 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.488 -1.049 7.697 1.00 2.52 H new ATOM 1371 N PRO A 95 14.166 -5.897 5.465 1.00 0.41 N ATOM 1372 CA PRO A 95 12.974 -6.730 5.272 1.00 0.35 C ATOM 1373 C PRO A 95 11.751 -6.112 5.942 1.00 0.32 C ATOM 1374 O PRO A 95 11.462 -6.385 7.107 1.00 0.45 O ATOM 1375 CB PRO A 95 13.338 -8.064 5.939 1.00 0.44 C ATOM 1376 CG PRO A 95 14.499 -7.757 6.822 1.00 0.64 C ATOM 1377 CD PRO A 95 15.240 -6.635 6.154 1.00 0.51 C ATOM 0 HA PRO A 95 12.714 -6.839 4.219 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.500 -8.458 6.514 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.597 -8.818 5.196 1.00 0.44 H new ATOM 0 HG2 PRO A 95 14.166 -7.466 7.818 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.140 -8.631 6.943 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.762 -6.008 6.877 1.00 0.51 H new ATOM 0 HD3 PRO A 95 15.989 -7.005 5.454 1.00 0.51 H new ATOM 1385 N VAL A 96 11.033 -5.281 5.192 1.00 0.28 N ATOM 1386 CA VAL A 96 9.856 -4.599 5.714 1.00 0.33 C ATOM 1387 C VAL A 96 8.561 -5.282 5.287 1.00 0.28 C ATOM 1388 O VAL A 96 8.497 -5.922 4.238 1.00 0.30 O ATOM 1389 CB VAL A 96 9.818 -3.128 5.253 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.933 -2.332 5.913 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.917 -3.039 3.738 1.00 0.38 C ATOM 0 H VAL A 96 11.247 -5.064 4.219 1.00 0.28 H new ATOM 0 HA VAL A 96 9.932 -4.643 6.800 1.00 0.33 H new ATOM 0 HB VAL A 96 8.864 -2.697 5.558 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.890 -1.297 5.575 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.812 -2.366 6.996 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.897 -2.762 5.642 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.888 -1.993 3.432 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.854 -3.488 3.408 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.080 -3.572 3.287 1.00 0.38 H new ATOM 1401 N ARG A 97 7.530 -5.137 6.115 1.00 0.24 N ATOM 1402 CA ARG A 97 6.226 -5.719 5.835 1.00 0.22 C ATOM 1403 C ARG A 97 5.306 -4.670 5.226 1.00 0.18 C ATOM 1404 O ARG A 97 5.356 -3.496 5.599 1.00 0.18 O ATOM 1405 CB ARG A 97 5.604 -6.279 7.115 1.00 0.27 C ATOM 1406 CG ARG A 97 6.430 -7.376 7.767 1.00 0.69 C ATOM 1407 CD ARG A 97 5.775 -7.881 9.042 1.00 0.71 C ATOM 1408 NE ARG A 97 4.415 -8.356 8.805 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.709 -9.054 9.691 1.00 1.38 C ATOM 1410 NH1 ARG A 97 4.234 -9.359 10.870 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.478 -9.447 9.396 1.00 2.37 N ATOM 0 H ARG A 97 7.576 -4.617 6.991 1.00 0.24 H new ATOM 0 HA ARG A 97 6.356 -6.535 5.124 1.00 0.22 H new ATOM 0 HB2 ARG A 97 5.468 -5.466 7.828 1.00 0.27 H new ATOM 0 HB3 ARG A 97 4.613 -6.670 6.886 1.00 0.27 H new ATOM 0 HG2 ARG A 97 6.555 -8.203 7.068 1.00 0.69 H new ATOM 0 HG3 ARG A 97 7.427 -6.997 7.994 1.00 0.69 H new ATOM 0 HD2 ARG A 97 6.374 -8.689 9.462 1.00 0.71 H new ATOM 0 HD3 ARG A 97 5.756 -7.081 9.782 1.00 0.71 H new ATOM 0 HE ARG A 97 3.981 -8.140 7.908 1.00 1.21 H new ATOM 0 HH11 ARG A 97 5.181 -9.058 11.100 1.00 0.88 H new ATOM 0 HH12 ARG A 97 3.691 -9.894 11.547 1.00 0.88 H new ATOM 0 HH21 ARG A 97 2.072 -9.214 8.490 1.00 2.37 H new ATOM 0 HH22 ARG A 97 1.937 -9.982 10.075 1.00 2.37 H new ATOM 1425 N LEU A 98 4.467 -5.102 4.293 1.00 0.19 N ATOM 1426 CA LEU A 98 3.538 -4.201 3.622 1.00 0.18 C ATOM 1427 C LEU A 98 2.092 -4.606 3.889 1.00 0.18 C ATOM 1428 O LEU A 98 1.592 -5.572 3.312 1.00 0.30 O ATOM 1429 CB LEU A 98 3.808 -4.203 2.117 1.00 0.23 C ATOM 1430 CG LEU A 98 5.254 -3.908 1.710 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.453 -4.181 0.229 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.621 -2.468 2.034 1.00 0.37 C ATOM 0 H LEU A 98 4.411 -6.072 3.983 1.00 0.19 H new ATOM 0 HA LEU A 98 3.690 -3.197 4.018 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.527 -5.177 1.716 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.158 -3.465 1.647 1.00 0.23 H new ATOM 0 HG LEU A 98 5.910 -4.567 2.279 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.486 -3.967 -0.045 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.232 -5.227 0.019 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.784 -3.545 -0.351 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.653 -2.280 1.737 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.958 -1.793 1.492 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.515 -2.298 3.105 1.00 0.37 H new ATOM 1444 N LEU A 99 1.423 -3.862 4.765 1.00 0.18 N ATOM 1445 CA LEU A 99 0.031 -4.143 5.101 1.00 0.19 C ATOM 1446 C LEU A 99 -0.904 -3.204 4.346 1.00 0.19 C ATOM 1447 O LEU A 99 -1.098 -2.053 4.741 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.190 -4.006 6.611 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.603 -4.335 7.098 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.953 -5.785 6.799 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.727 -4.053 8.588 1.00 0.36 C ATOM 0 H LEU A 99 1.822 -3.061 5.254 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.193 -5.167 4.804 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.515 -4.659 7.125 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.049 -2.984 6.905 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.308 -3.698 6.563 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.962 -5.996 7.154 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.903 -5.957 5.724 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.245 -6.442 7.305 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.737 -4.292 8.921 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.011 -4.666 9.135 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.522 -2.999 8.777 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.482 -3.704 3.259 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.395 -2.913 2.441 1.00 0.23 C ATOM 1465 C LEU A 100 -3.692 -3.670 2.171 1.00 0.24 C ATOM 1466 O LEU A 100 -3.715 -4.900 2.158 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.722 -2.530 1.119 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.735 -3.562 0.559 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.453 -4.843 0.165 1.00 0.27 C ATOM 1470 CD2 LEU A 100 0.017 -2.989 -0.631 1.00 0.31 C ATOM 0 H LEU A 100 -1.334 -4.656 2.923 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.642 -2.006 2.992 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.498 -2.353 0.374 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.194 -1.587 1.260 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.016 -3.802 1.343 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.731 -5.558 -0.229 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.945 -5.268 1.040 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.199 -4.622 -0.599 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.713 -3.735 -1.015 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.692 -2.717 -1.413 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.570 -2.103 -0.319 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.772 -2.925 1.960 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.071 -3.525 1.686 1.00 0.29 C ATOM 1484 C ILE A 101 -6.312 -3.632 0.183 1.00 0.32 C ATOM 1485 O ILE A 101 -6.038 -2.694 -0.570 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.214 -2.716 2.332 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.560 -3.410 2.093 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.235 -1.296 1.784 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.721 -2.755 2.812 1.00 0.45 C ATOM 0 H ILE A 101 -4.773 -1.905 1.974 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.062 -4.524 2.122 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.041 -2.665 3.407 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.767 -3.422 1.023 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.485 -4.449 2.415 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.047 -0.738 2.250 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.286 -0.807 2.004 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.387 -1.325 0.705 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.639 -3.302 2.595 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.537 -2.767 3.886 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.824 -1.724 2.473 1.00 0.45 H new ATOM 1501 N ARG A 102 -6.822 -4.781 -0.246 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.095 -5.015 -1.657 1.00 0.46 C ATOM 1503 C ARG A 102 -8.570 -5.322 -1.884 1.00 0.60 C ATOM 1504 O ARG A 102 -9.218 -5.957 -1.051 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.240 -6.172 -2.175 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.229 -6.290 -3.689 1.00 1.27 C ATOM 1507 CD ARG A 102 -5.453 -5.150 -4.329 1.00 1.35 C ATOM 1508 NE ARG A 102 -4.094 -5.054 -3.803 1.00 1.49 N ATOM 1509 CZ ARG A 102 -3.117 -5.902 -4.114 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -3.345 -6.911 -4.945 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -1.910 -5.742 -3.593 1.00 2.20 N ATOM 0 H ARG A 102 -7.054 -5.565 0.364 1.00 0.39 H new ATOM 0 HA ARG A 102 -6.843 -4.107 -2.205 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.217 -6.043 -1.822 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.609 -7.105 -1.749 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.784 -7.242 -3.978 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -7.253 -6.290 -4.063 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -5.415 -5.298 -5.408 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -5.977 -4.211 -4.154 1.00 1.35 H new ATOM 0 HE ARG A 102 -3.881 -4.292 -3.159 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -4.273 -7.039 -5.349 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -2.592 -7.558 -5.180 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -1.729 -4.969 -2.953 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -1.161 -6.392 -3.832 1.00 2.20 H new