USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 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 30 SER OG : rot -130:sc= 0.135 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.0177 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 36:sc= 0.404 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 108:sc= 0.55 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.107 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+ 162:sc= -0.0764 (180deg=-0.369) USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.39) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.048) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.06 F(o=-2.3!,f=-1.1) USER MOD Single : A 80 MET CE :methyl -111:sc= -2.99! (180deg=-3.93) 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= -0.164 F(o=-2.6!,f=-0.16) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.28 F(o=-3.9!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -11.403 -6.968 2.478 1.00 0.55 N ATOM 139 CA SER A 12 -10.570 -7.924 3.197 1.00 0.45 C ATOM 140 C SER A 12 -9.173 -7.358 3.430 1.00 0.39 C ATOM 141 O SER A 12 -8.607 -6.697 2.557 1.00 0.38 O ATOM 142 CB SER A 12 -10.479 -9.238 2.420 1.00 0.51 C ATOM 143 OG SER A 12 -9.655 -10.173 3.096 1.00 0.90 O ATOM 0 HA SER A 12 -11.031 -8.115 4.166 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.477 -9.656 2.288 1.00 0.51 H new ATOM 0 HB3 SER A 12 -10.079 -9.049 1.424 1.00 0.51 H new ATOM 0 HG SER A 12 -9.614 -11.005 2.580 1.00 0.90 H new ATOM 149 N LEU A 13 -8.628 -7.620 4.613 1.00 0.41 N ATOM 150 CA LEU A 13 -7.296 -7.144 4.965 1.00 0.40 C ATOM 151 C LEU A 13 -6.223 -8.030 4.347 1.00 0.45 C ATOM 152 O LEU A 13 -6.177 -9.236 4.599 1.00 0.68 O ATOM 153 CB LEU A 13 -7.126 -7.105 6.485 1.00 0.56 C ATOM 154 CG LEU A 13 -8.006 -6.088 7.212 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.936 -6.304 8.715 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.579 -4.672 6.856 1.00 0.79 C ATOM 0 H LEU A 13 -9.089 -8.160 5.345 1.00 0.41 H new ATOM 0 HA LEU A 13 -7.184 -6.135 4.569 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -7.339 -8.097 6.884 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.083 -6.887 6.712 1.00 0.56 H new ATOM 0 HG LEU A 13 -9.039 -6.229 6.893 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.568 -5.572 9.218 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.284 -7.309 8.955 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.906 -6.186 9.052 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.214 -3.958 7.380 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.541 -4.520 7.151 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.676 -4.522 5.781 1.00 0.79 H new ATOM 168 N TYR A 14 -5.360 -7.426 3.540 1.00 0.36 N ATOM 169 CA TYR A 14 -4.285 -8.156 2.883 1.00 0.50 C ATOM 170 C TYR A 14 -2.923 -7.704 3.400 1.00 0.31 C ATOM 171 O TYR A 14 -2.757 -6.561 3.826 1.00 0.37 O ATOM 172 CB TYR A 14 -4.366 -7.964 1.368 1.00 0.80 C ATOM 173 CG TYR A 14 -5.402 -8.845 0.702 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.740 -8.471 0.683 1.00 0.71 C ATOM 175 CD2 TYR A 14 -5.046 -10.044 0.090 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.694 -9.265 0.075 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.996 -10.841 -0.519 1.00 1.90 C ATOM 178 CZ TYR A 14 -7.293 -10.478 -0.520 1.00 1.98 C ATOM 179 OH TYR A 14 -8.265 -11.238 -1.130 1.00 2.73 O ATOM 0 H TYR A 14 -5.384 -6.429 3.325 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.402 -9.215 3.113 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.596 -6.920 1.154 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.389 -8.171 0.931 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -7.039 -7.545 1.151 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -4.012 -10.356 0.091 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.730 -8.961 0.056 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.697 -11.762 -0.998 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.860 -12.049 -1.503 1.00 2.73 H new ATOM 189 N SER A 15 -1.950 -8.610 3.364 1.00 0.43 N ATOM 190 CA SER A 15 -0.604 -8.303 3.834 1.00 0.38 C ATOM 191 C SER A 15 0.440 -9.123 3.082 1.00 0.33 C ATOM 192 O SER A 15 0.267 -10.323 2.869 1.00 0.41 O ATOM 193 CB SER A 15 -0.496 -8.574 5.336 1.00 0.59 C ATOM 194 OG SER A 15 0.808 -8.293 5.814 1.00 1.19 O ATOM 0 H SER A 15 -2.069 -9.561 3.015 1.00 0.43 H new ATOM 0 HA SER A 15 -0.412 -7.247 3.644 1.00 0.38 H new ATOM 0 HB2 SER A 15 -1.222 -7.963 5.872 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.744 -9.616 5.539 1.00 0.59 H new ATOM 0 HG SER A 15 1.168 -7.513 5.342 1.00 1.19 H new ATOM 200 N VAL A 16 1.524 -8.463 2.682 1.00 0.32 N ATOM 201 CA VAL A 16 2.604 -9.125 1.959 1.00 0.33 C ATOM 202 C VAL A 16 3.955 -8.805 2.591 1.00 0.31 C ATOM 203 O VAL A 16 4.158 -7.712 3.118 1.00 0.44 O ATOM 204 CB VAL A 16 2.634 -8.707 0.475 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.636 -9.549 -0.300 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.248 -8.813 -0.141 1.00 0.56 C ATOM 0 H VAL A 16 1.677 -7.468 2.847 1.00 0.32 H new ATOM 0 HA VAL A 16 2.415 -10.197 2.019 1.00 0.33 H new ATOM 0 HB VAL A 16 2.951 -7.666 0.419 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.642 -9.238 -1.345 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.631 -9.413 0.124 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.355 -10.600 -0.236 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.291 -8.514 -1.188 1.00 0.56 H new ATOM 0 HG22 VAL A 16 0.897 -9.843 -0.072 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.561 -8.159 0.395 1.00 0.56 H new ATOM 216 N GLU A 17 4.878 -9.760 2.534 1.00 0.33 N ATOM 217 CA GLU A 17 6.206 -9.571 3.107 1.00 0.34 C ATOM 218 C GLU A 17 7.220 -9.194 2.030 1.00 0.32 C ATOM 219 O GLU A 17 7.467 -9.959 1.099 1.00 0.38 O ATOM 220 CB GLU A 17 6.661 -10.838 3.834 1.00 0.45 C ATOM 221 CG GLU A 17 5.811 -11.185 5.045 1.00 0.71 C ATOM 222 CD GLU A 17 4.430 -11.686 4.670 1.00 1.18 C ATOM 223 OE1 GLU A 17 4.299 -12.887 4.350 1.00 1.42 O ATOM 224 OE2 GLU A 17 3.479 -10.876 4.692 1.00 1.74 O ATOM 0 H GLU A 17 4.731 -10.670 2.098 1.00 0.33 H new ATOM 0 HA GLU A 17 6.147 -8.753 3.825 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.641 -11.674 3.135 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.696 -10.712 4.151 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.321 -11.947 5.635 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.713 -10.304 5.679 1.00 0.71 H new ATOM 231 N LEU A 18 7.803 -8.007 2.170 1.00 0.31 N ATOM 232 CA LEU A 18 8.793 -7.517 1.217 1.00 0.34 C ATOM 233 C LEU A 18 10.147 -7.326 1.893 1.00 0.38 C ATOM 234 O LEU A 18 10.248 -7.353 3.118 1.00 0.68 O ATOM 235 CB LEU A 18 8.327 -6.198 0.594 1.00 0.40 C ATOM 236 CG LEU A 18 7.514 -6.332 -0.698 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.373 -6.904 -1.814 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.285 -7.201 -0.472 1.00 0.71 C ATOM 0 H LEU A 18 7.606 -7.365 2.937 1.00 0.31 H new ATOM 0 HA LEU A 18 8.902 -8.261 0.428 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.725 -5.662 1.328 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.203 -5.583 0.390 1.00 0.40 H new ATOM 0 HG LEU A 18 7.181 -5.338 -0.996 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.778 -6.991 -2.723 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.220 -6.242 -1.997 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.738 -7.889 -1.523 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.722 -7.283 -1.402 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.596 -8.194 -0.147 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.656 -6.749 0.295 1.00 0.71 H new ATOM 250 N PHE A 19 11.186 -7.145 1.086 1.00 0.41 N ATOM 251 CA PHE A 19 12.531 -6.949 1.612 1.00 0.43 C ATOM 252 C PHE A 19 13.438 -6.303 0.574 1.00 0.49 C ATOM 253 O PHE A 19 13.499 -6.748 -0.573 1.00 0.59 O ATOM 254 CB PHE A 19 13.125 -8.286 2.066 1.00 0.48 C ATOM 255 CG PHE A 19 13.120 -9.346 0.999 1.00 0.82 C ATOM 256 CD1 PHE A 19 11.975 -10.085 0.745 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.258 -9.600 0.252 1.00 1.50 C ATOM 258 CE1 PHE A 19 11.967 -11.059 -0.236 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.256 -10.573 -0.730 1.00 2.08 C ATOM 260 CZ PHE A 19 13.113 -11.307 -0.970 1.00 1.94 C ATOM 0 H PHE A 19 11.123 -7.130 0.068 1.00 0.41 H new ATOM 0 HA PHE A 19 12.461 -6.279 2.469 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.150 -8.123 2.399 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.564 -8.648 2.928 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.080 -9.898 1.320 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.157 -9.032 0.439 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.068 -11.625 -0.429 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.149 -10.758 -1.309 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.113 -12.074 -1.730 1.00 1.94 H new ATOM 270 N ARG A 20 14.140 -5.247 0.977 1.00 0.52 N ATOM 271 CA ARG A 20 15.047 -4.553 0.070 1.00 0.66 C ATOM 272 C ARG A 20 16.498 -4.736 0.505 1.00 0.68 C ATOM 273 O ARG A 20 16.987 -4.025 1.384 1.00 0.83 O ATOM 274 CB ARG A 20 14.704 -3.063 -0.010 1.00 0.73 C ATOM 275 CG ARG A 20 15.521 -2.311 -1.049 1.00 0.99 C ATOM 276 CD ARG A 20 14.995 -0.902 -1.271 1.00 1.19 C ATOM 277 NE ARG A 20 15.187 -0.051 -0.101 1.00 1.60 N ATOM 278 CZ ARG A 20 14.712 1.186 -0.002 1.00 2.26 C ATOM 279 NH1 ARG A 20 13.998 1.709 -0.991 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.948 1.902 1.088 1.00 3.06 N ATOM 0 H ARG A 20 14.098 -4.856 1.918 1.00 0.52 H new ATOM 0 HA ARG A 20 14.925 -4.990 -0.921 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.645 -2.953 -0.242 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.865 -2.608 0.967 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.562 -2.264 -0.728 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.502 -2.858 -1.991 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.501 -0.458 -2.128 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.934 -0.947 -1.516 1.00 1.19 H new ATOM 0 HE ARG A 20 15.716 -0.427 0.686 1.00 1.60 H new ATOM 0 HH11 ARG A 20 13.812 1.161 -1.831 1.00 2.52 H new ATOM 0 HH12 ARG A 20 13.635 2.659 -0.911 1.00 2.52 H new ATOM 0 HH21 ARG A 20 15.495 1.504 1.851 1.00 3.06 H new ATOM 0 HH22 ARG A 20 14.583 2.852 1.163 1.00 3.06 H new ATOM 294 N GLU A 21 17.179 -5.695 -0.116 1.00 0.82 N ATOM 295 CA GLU A 21 18.574 -5.974 0.206 1.00 0.93 C ATOM 296 C GLU A 21 19.505 -5.247 -0.757 1.00 1.16 C ATOM 297 O GLU A 21 20.680 -5.032 -0.458 1.00 1.57 O ATOM 298 CB GLU A 21 18.841 -7.479 0.150 1.00 1.09 C ATOM 299 CG GLU A 21 17.931 -8.294 1.056 1.00 1.62 C ATOM 300 CD GLU A 21 18.034 -7.881 2.512 1.00 2.00 C ATOM 301 OE1 GLU A 21 18.906 -8.424 3.222 1.00 2.21 O ATOM 302 OE2 GLU A 21 17.245 -7.013 2.940 1.00 2.58 O ATOM 0 H GLU A 21 16.787 -6.291 -0.845 1.00 0.82 H new ATOM 0 HA GLU A 21 18.768 -5.615 1.217 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.719 -7.823 -0.877 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.878 -7.666 0.428 1.00 1.09 H new ATOM 0 HG2 GLU A 21 16.899 -8.183 0.723 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.184 -9.350 0.963 1.00 1.62 H new ATOM 309 N LYS A 22 18.970 -4.869 -1.913 1.00 1.11 N ATOM 310 CA LYS A 22 19.750 -4.166 -2.925 1.00 1.40 C ATOM 311 C LYS A 22 19.797 -2.669 -2.635 1.00 1.31 C ATOM 312 O LYS A 22 18.966 -2.143 -1.895 1.00 1.38 O ATOM 313 CB LYS A 22 19.157 -4.408 -4.315 1.00 1.65 C ATOM 314 CG LYS A 22 19.151 -5.872 -4.726 1.00 2.00 C ATOM 315 CD LYS A 22 20.563 -6.418 -4.862 1.00 2.54 C ATOM 316 CE LYS A 22 20.557 -7.869 -5.312 1.00 3.05 C ATOM 317 NZ LYS A 22 21.936 -8.416 -5.443 1.00 3.72 N ATOM 0 H LYS A 22 17.998 -5.038 -2.173 1.00 1.11 H new ATOM 0 HA LYS A 22 20.768 -4.555 -2.897 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.135 -4.029 -4.336 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.725 -3.835 -5.048 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.603 -6.456 -3.987 1.00 2.00 H new ATOM 0 HG3 LYS A 22 18.624 -5.983 -5.674 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.120 -5.816 -5.580 1.00 2.54 H new ATOM 0 HD3 LYS A 22 21.080 -6.334 -3.906 1.00 2.54 H new ATOM 0 HE2 LYS A 22 19.995 -8.469 -4.596 1.00 3.05 H new ATOM 0 HE3 LYS A 22 20.042 -7.950 -6.269 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 21.888 -9.408 -5.752 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 22.465 -7.860 -6.145 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 22.419 -8.363 -4.524 1.00 3.72 H new ATOM 331 N ASP A 23 20.776 -1.991 -3.225 1.00 1.46 N ATOM 332 CA ASP A 23 20.938 -0.556 -3.032 1.00 1.51 C ATOM 333 C ASP A 23 20.260 0.224 -4.154 1.00 1.31 C ATOM 334 O ASP A 23 20.794 1.222 -4.643 1.00 1.58 O ATOM 335 CB ASP A 23 22.424 -0.196 -2.968 1.00 1.91 C ATOM 336 CG ASP A 23 23.141 -0.905 -1.836 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.632 -2.032 -2.058 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.212 -0.333 -0.728 1.00 2.87 O ATOM 0 H ASP A 23 21.470 -2.414 -3.842 1.00 1.46 H new ATOM 0 HA ASP A 23 20.464 -0.284 -2.089 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.899 -0.455 -3.914 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.529 0.882 -2.843 1.00 1.91 H new ATOM 343 N THR A 24 19.082 -0.237 -4.560 1.00 1.02 N ATOM 344 CA THR A 24 18.331 0.417 -5.625 1.00 0.98 C ATOM 345 C THR A 24 17.747 1.744 -5.151 1.00 1.01 C ATOM 346 O THR A 24 17.300 2.560 -5.956 1.00 1.16 O ATOM 347 CB THR A 24 17.190 -0.479 -6.141 1.00 1.17 C ATOM 348 OG1 THR A 24 16.272 -0.766 -5.079 1.00 1.38 O ATOM 349 CG2 THR A 24 17.740 -1.782 -6.705 1.00 1.19 C ATOM 0 H THR A 24 18.627 -1.061 -4.168 1.00 1.02 H new ATOM 0 HA THR A 24 19.032 0.602 -6.439 1.00 0.98 H new ATOM 0 HB THR A 24 16.670 0.055 -6.936 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.436 -0.277 -5.228 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.917 -2.399 -7.064 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.417 -1.564 -7.531 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.281 -2.317 -5.924 1.00 1.19 H new ATOM 357 N SER A 25 17.754 1.946 -3.835 1.00 1.05 N ATOM 358 CA SER A 25 17.230 3.170 -3.234 1.00 1.35 C ATOM 359 C SER A 25 15.769 3.390 -3.612 1.00 1.17 C ATOM 360 O SER A 25 15.253 4.503 -3.504 1.00 1.39 O ATOM 361 CB SER A 25 18.068 4.377 -3.666 1.00 1.79 C ATOM 362 OG SER A 25 19.427 4.213 -3.297 1.00 2.45 O ATOM 0 H SER A 25 18.119 1.273 -3.161 1.00 1.05 H new ATOM 0 HA SER A 25 17.290 3.061 -2.151 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.994 4.507 -4.746 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.670 5.283 -3.208 1.00 1.79 H new ATOM 0 HG SER A 25 19.941 4.996 -3.585 1.00 2.45 H new ATOM 368 N SER A 26 15.104 2.325 -4.050 1.00 0.84 N ATOM 369 CA SER A 26 13.702 2.409 -4.445 1.00 0.72 C ATOM 370 C SER A 26 13.014 1.054 -4.311 1.00 0.58 C ATOM 371 O SER A 26 13.663 0.009 -4.368 1.00 0.69 O ATOM 372 CB SER A 26 13.588 2.913 -5.884 1.00 0.81 C ATOM 373 OG SER A 26 14.177 4.194 -6.025 1.00 1.40 O ATOM 0 H SER A 26 15.513 1.395 -4.140 1.00 0.84 H new ATOM 0 HA SER A 26 13.204 3.114 -3.779 1.00 0.72 H new ATOM 0 HB2 SER A 26 14.075 2.209 -6.559 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.538 2.958 -6.175 1.00 0.81 H new ATOM 0 HG SER A 26 14.092 4.493 -6.955 1.00 1.40 H new ATOM 379 N LEU A 27 11.695 1.082 -4.133 1.00 0.42 N ATOM 380 CA LEU A 27 10.913 -0.141 -3.989 1.00 0.32 C ATOM 381 C LEU A 27 9.961 -0.327 -5.166 1.00 0.29 C ATOM 382 O LEU A 27 9.553 -1.447 -5.474 1.00 0.41 O ATOM 383 CB LEU A 27 10.125 -0.120 -2.676 1.00 0.35 C ATOM 384 CG LEU A 27 10.949 -0.396 -1.415 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.105 -0.183 -0.169 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.508 -1.811 -1.443 1.00 0.43 C ATOM 0 H LEU A 27 11.146 1.940 -4.085 1.00 0.42 H new ATOM 0 HA LEU A 27 11.607 -0.982 -3.974 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.648 0.855 -2.573 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.327 -0.860 -2.738 1.00 0.35 H new ATOM 0 HG LEU A 27 11.784 0.305 -1.390 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.707 -0.384 0.717 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.751 0.847 -0.141 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.251 -0.860 -0.188 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.091 -1.990 -0.539 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.687 -2.526 -1.492 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.148 -1.932 -2.317 1.00 0.43 H new ATOM 398 N GLY A 28 9.606 0.776 -5.818 1.00 0.29 N ATOM 399 CA GLY A 28 8.708 0.707 -6.958 1.00 0.31 C ATOM 400 C GLY A 28 7.285 1.097 -6.611 1.00 0.29 C ATOM 401 O GLY A 28 6.497 1.440 -7.493 1.00 0.52 O ATOM 0 H GLY A 28 9.923 1.715 -5.578 1.00 0.29 H new ATOM 0 HA2 GLY A 28 9.078 1.363 -7.746 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.714 -0.307 -7.359 1.00 0.31 H new ATOM 405 N ILE A 29 6.951 1.041 -5.324 1.00 0.35 N ATOM 406 CA ILE A 29 5.612 1.391 -4.865 1.00 0.32 C ATOM 407 C ILE A 29 5.288 2.848 -5.185 1.00 0.30 C ATOM 408 O ILE A 29 5.857 3.764 -4.589 1.00 0.35 O ATOM 409 CB ILE A 29 5.462 1.158 -3.349 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.830 -0.286 -2.999 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.041 1.475 -2.901 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.882 -0.559 -1.512 1.00 0.84 C ATOM 0 H ILE A 29 7.590 0.756 -4.582 1.00 0.35 H new ATOM 0 HA ILE A 29 4.912 0.743 -5.393 1.00 0.32 H new ATOM 0 HB ILE A 29 6.143 1.826 -2.822 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.104 -0.957 -3.457 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.801 -0.520 -3.436 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.951 1.305 -1.828 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.813 2.517 -3.124 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.340 0.829 -3.430 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.149 -1.602 -1.343 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.629 0.086 -1.050 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.906 -0.358 -1.071 1.00 0.84 H new ATOM 424 N SER A 30 4.370 3.053 -6.125 1.00 0.27 N ATOM 425 CA SER A 30 3.972 4.398 -6.525 1.00 0.29 C ATOM 426 C SER A 30 2.533 4.687 -6.111 1.00 0.28 C ATOM 427 O SER A 30 1.588 4.167 -6.705 1.00 0.35 O ATOM 428 CB SER A 30 4.124 4.571 -8.038 1.00 0.33 C ATOM 429 OG SER A 30 3.761 5.882 -8.441 1.00 0.95 O ATOM 0 H SER A 30 3.888 2.305 -6.624 1.00 0.27 H new ATOM 0 HA SER A 30 4.626 5.107 -6.018 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.155 4.370 -8.328 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.500 3.842 -8.555 1.00 0.33 H new ATOM 0 HG SER A 30 3.134 5.831 -9.193 1.00 0.95 H new ATOM 435 N ILE A 31 2.377 5.519 -5.085 1.00 0.25 N ATOM 436 CA ILE A 31 1.056 5.879 -4.587 1.00 0.27 C ATOM 437 C ILE A 31 0.485 7.069 -5.352 1.00 0.31 C ATOM 438 O ILE A 31 1.109 7.575 -6.285 1.00 0.41 O ATOM 439 CB ILE A 31 1.097 6.213 -3.082 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.052 7.382 -2.819 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.520 4.987 -2.287 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.025 7.878 -1.389 1.00 0.39 C ATOM 0 H ILE A 31 3.150 5.956 -4.583 1.00 0.25 H new ATOM 0 HA ILE A 31 0.411 5.014 -4.740 1.00 0.27 H new ATOM 0 HB ILE A 31 0.099 6.509 -2.761 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.067 7.074 -3.068 1.00 0.31 H new ATOM 0 HG13 ILE A 31 1.796 8.206 -3.485 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.546 5.233 -1.225 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.807 4.180 -2.455 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.511 4.668 -2.610 1.00 0.35 H new ATOM 0 HD11 ILE A 31 2.726 8.706 -1.278 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.020 8.218 -1.141 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.310 7.068 -0.718 1.00 0.39 H new ATOM 454 N SER A 32 -0.702 7.513 -4.952 1.00 0.37 N ATOM 455 CA SER A 32 -1.356 8.640 -5.607 1.00 0.44 C ATOM 456 C SER A 32 -2.349 9.319 -4.671 1.00 0.55 C ATOM 457 O SER A 32 -2.984 8.665 -3.843 1.00 0.59 O ATOM 458 CB SER A 32 -2.075 8.171 -6.872 1.00 0.48 C ATOM 459 OG SER A 32 -2.696 9.256 -7.539 1.00 1.32 O ATOM 0 H SER A 32 -1.230 7.110 -4.178 1.00 0.37 H new ATOM 0 HA SER A 32 -0.587 9.364 -5.876 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.362 7.689 -7.541 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.824 7.423 -6.612 1.00 0.48 H new ATOM 0 HG SER A 32 -3.147 8.929 -8.345 1.00 1.32 H new ATOM 465 N GLY A 33 -2.478 10.636 -4.809 1.00 0.70 N ATOM 466 CA GLY A 33 -3.400 11.384 -3.976 1.00 0.87 C ATOM 467 C GLY A 33 -4.825 11.308 -4.488 1.00 0.88 C ATOM 468 O GLY A 33 -5.073 11.507 -5.678 1.00 0.95 O ATOM 0 H GLY A 33 -1.959 11.198 -5.484 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.361 10.999 -2.957 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.086 12.427 -3.935 1.00 0.87 H new ATOM 634 N ILE A 46 -4.236 7.717 1.008 1.00 0.46 N ATOM 635 CA ILE A 46 -3.072 7.155 0.331 1.00 0.39 C ATOM 636 C ILE A 46 -3.388 5.776 -0.243 1.00 0.39 C ATOM 637 O ILE A 46 -3.908 4.908 0.458 1.00 0.57 O ATOM 638 CB ILE A 46 -1.869 7.042 1.292 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.549 8.405 1.917 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.652 6.487 0.564 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.212 9.481 0.906 1.00 0.55 C ATOM 0 HA ILE A 46 -2.814 7.832 -0.483 1.00 0.39 H new ATOM 0 HB ILE A 46 -2.133 6.351 2.093 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.404 8.732 2.509 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.711 8.291 2.604 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.185 6.415 1.258 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.884 5.497 0.170 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.386 7.151 -0.258 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.998 10.415 1.426 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.338 9.178 0.330 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -2.057 9.626 0.233 1.00 0.55 H new ATOM 653 N TYR A 47 -3.071 5.583 -1.521 1.00 0.30 N ATOM 654 CA TYR A 47 -3.327 4.309 -2.186 1.00 0.30 C ATOM 655 C TYR A 47 -2.420 4.134 -3.403 1.00 0.26 C ATOM 656 O TYR A 47 -2.142 5.091 -4.125 1.00 0.29 O ATOM 657 CB TYR A 47 -4.796 4.222 -2.611 1.00 0.36 C ATOM 658 CG TYR A 47 -5.183 5.216 -3.686 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.503 6.530 -3.365 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.233 4.837 -5.022 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.861 7.436 -4.346 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.589 5.737 -6.008 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.903 7.035 -5.665 1.00 0.58 C ATOM 664 OH TYR A 47 -6.258 7.934 -6.644 1.00 0.70 O ATOM 0 H TYR A 47 -2.638 6.290 -2.115 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.110 3.508 -1.480 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.001 3.214 -2.971 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.427 4.383 -1.737 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.471 6.848 -2.333 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.989 3.821 -5.294 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.107 8.454 -4.081 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.621 5.426 -7.042 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.237 7.491 -7.518 1.00 0.70 H new ATOM 674 N VAL A 48 -1.963 2.903 -3.622 1.00 0.26 N ATOM 675 CA VAL A 48 -1.091 2.600 -4.753 1.00 0.25 C ATOM 676 C VAL A 48 -1.894 2.498 -6.043 1.00 0.28 C ATOM 677 O VAL A 48 -2.873 1.755 -6.121 1.00 0.39 O ATOM 678 CB VAL A 48 -0.314 1.285 -4.535 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.522 0.944 -5.762 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.567 1.386 -3.301 1.00 0.29 C ATOM 0 H VAL A 48 -2.182 2.101 -3.032 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.376 3.419 -4.832 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.035 0.483 -4.380 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.062 0.013 -5.587 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.131 0.828 -6.627 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.235 1.747 -5.951 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.108 0.450 -3.162 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.279 2.201 -3.428 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.053 1.580 -2.426 1.00 0.29 H new ATOM 690 N LYS A 49 -1.469 3.248 -7.056 1.00 0.31 N ATOM 691 CA LYS A 49 -2.148 3.248 -8.344 1.00 0.38 C ATOM 692 C LYS A 49 -1.254 2.672 -9.437 1.00 0.32 C ATOM 693 O LYS A 49 -1.743 2.192 -10.461 1.00 0.37 O ATOM 694 CB LYS A 49 -2.577 4.670 -8.713 1.00 0.49 C ATOM 695 CG LYS A 49 -3.419 4.747 -9.978 1.00 0.61 C ATOM 696 CD LYS A 49 -3.813 6.180 -10.303 1.00 0.84 C ATOM 697 CE LYS A 49 -2.614 7.002 -10.749 1.00 1.65 C ATOM 698 NZ LYS A 49 -2.023 6.481 -12.012 1.00 2.40 N ATOM 0 H LYS A 49 -0.657 3.863 -7.008 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.032 2.616 -8.260 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.143 5.096 -7.884 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.687 5.286 -8.841 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.861 4.324 -10.813 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.317 4.141 -9.855 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -4.568 6.181 -11.089 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.265 6.642 -9.425 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -2.917 8.039 -10.891 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -1.857 6.996 -9.964 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -1.425 7.214 -12.444 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -1.446 5.641 -11.805 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -2.785 6.223 -12.671 1.00 2.40 H new ATOM 712 N SER A 50 0.058 2.717 -9.217 1.00 0.28 N ATOM 713 CA SER A 50 1.009 2.199 -10.196 1.00 0.35 C ATOM 714 C SER A 50 2.234 1.588 -9.522 1.00 0.28 C ATOM 715 O SER A 50 2.514 1.850 -8.350 1.00 0.25 O ATOM 716 CB SER A 50 1.445 3.312 -11.149 1.00 0.49 C ATOM 717 OG SER A 50 2.046 4.384 -10.443 1.00 1.28 O ATOM 0 H SER A 50 0.484 3.104 -8.375 1.00 0.28 H new ATOM 0 HA SER A 50 0.506 1.413 -10.759 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.149 2.914 -11.880 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.582 3.678 -11.705 1.00 0.49 H new ATOM 0 HG SER A 50 2.317 5.081 -11.076 1.00 1.28 H new ATOM 723 N LEU A 51 2.960 0.770 -10.279 1.00 0.32 N ATOM 724 CA LEU A 51 4.163 0.115 -9.775 1.00 0.27 C ATOM 725 C LEU A 51 5.303 0.239 -10.782 1.00 0.27 C ATOM 726 O LEU A 51 5.069 0.384 -11.982 1.00 0.42 O ATOM 727 CB LEU A 51 3.884 -1.363 -9.490 1.00 0.30 C ATOM 728 CG LEU A 51 2.836 -1.633 -8.410 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.503 -3.116 -8.351 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.326 -1.143 -7.056 1.00 0.32 C ATOM 0 H LEU A 51 2.735 0.544 -11.248 1.00 0.32 H new ATOM 0 HA LEU A 51 4.457 0.608 -8.848 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.560 -1.840 -10.415 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.818 -1.842 -9.195 1.00 0.30 H new ATOM 0 HG LEU A 51 1.929 -1.085 -8.666 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.756 -3.291 -7.577 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.110 -3.439 -9.315 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.405 -3.682 -8.119 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.567 -1.344 -6.300 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.247 -1.663 -6.792 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.516 -0.071 -7.104 1.00 0.32 H new ATOM 742 N ILE A 52 6.535 0.181 -10.288 1.00 0.24 N ATOM 743 CA ILE A 52 7.706 0.282 -11.148 1.00 0.24 C ATOM 744 C ILE A 52 8.251 -1.106 -11.491 1.00 0.23 C ATOM 745 O ILE A 52 8.733 -1.820 -10.611 1.00 0.28 O ATOM 746 CB ILE A 52 8.822 1.116 -10.486 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.324 2.533 -10.179 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.056 1.161 -11.376 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.918 3.319 -11.410 1.00 1.26 C ATOM 0 H ILE A 52 6.747 0.065 -9.297 1.00 0.24 H new ATOM 0 HA ILE A 52 7.389 0.783 -12.063 1.00 0.24 H new ATOM 0 HB ILE A 52 9.097 0.638 -9.546 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.472 2.470 -9.502 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.108 3.078 -9.654 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.832 1.754 -10.892 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.423 0.148 -11.541 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.798 1.614 -12.333 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.577 4.311 -11.112 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.773 3.415 -12.079 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.111 2.797 -11.925 1.00 1.26 H new ATOM 761 N PRO A 53 8.183 -1.511 -12.775 1.00 0.31 N ATOM 762 CA PRO A 53 8.674 -2.822 -13.213 1.00 0.35 C ATOM 763 C PRO A 53 10.169 -2.986 -12.968 1.00 0.34 C ATOM 764 O PRO A 53 10.955 -2.077 -13.238 1.00 0.46 O ATOM 765 CB PRO A 53 8.371 -2.847 -14.716 1.00 0.43 C ATOM 766 CG PRO A 53 8.208 -1.418 -15.102 1.00 0.82 C ATOM 767 CD PRO A 53 7.632 -0.731 -13.899 1.00 0.47 C ATOM 0 HA PRO A 53 8.200 -3.635 -12.663 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.181 -3.316 -15.274 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.467 -3.418 -14.927 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.165 -0.978 -15.383 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.547 -1.319 -15.963 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.933 0.316 -13.850 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.542 -0.750 -13.907 1.00 0.47 H new ATOM 775 N GLY A 54 10.557 -4.151 -12.458 1.00 0.39 N ATOM 776 CA GLY A 54 11.957 -4.413 -12.181 1.00 0.41 C ATOM 777 C GLY A 54 12.308 -4.184 -10.724 1.00 0.39 C ATOM 778 O GLY A 54 13.283 -4.740 -10.218 1.00 0.49 O ATOM 0 H GLY A 54 9.925 -4.919 -12.231 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.192 -5.442 -12.452 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.575 -3.770 -12.807 1.00 0.41 H new ATOM 782 N SER A 55 11.508 -3.363 -10.049 1.00 0.35 N ATOM 783 CA SER A 55 11.734 -3.060 -8.640 1.00 0.35 C ATOM 784 C SER A 55 11.365 -4.247 -7.758 1.00 0.32 C ATOM 785 O SER A 55 10.781 -5.222 -8.231 1.00 0.36 O ATOM 786 CB SER A 55 10.925 -1.831 -8.223 1.00 0.37 C ATOM 787 OG SER A 55 11.322 -0.685 -8.957 1.00 1.23 O ATOM 0 H SER A 55 10.698 -2.896 -10.456 1.00 0.35 H new ATOM 0 HA SER A 55 12.796 -2.850 -8.509 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.863 -2.019 -8.383 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.059 -1.648 -7.157 1.00 0.37 H new ATOM 0 HG SER A 55 11.041 0.123 -8.479 1.00 1.23 H new ATOM 793 N ALA A 56 11.703 -4.159 -6.477 1.00 0.35 N ATOM 794 CA ALA A 56 11.412 -5.231 -5.532 1.00 0.36 C ATOM 795 C ALA A 56 9.911 -5.492 -5.428 1.00 0.32 C ATOM 796 O ALA A 56 9.454 -6.618 -5.631 1.00 0.34 O ATOM 797 CB ALA A 56 11.989 -4.898 -4.164 1.00 0.42 C ATOM 0 H ALA A 56 12.180 -3.355 -6.068 1.00 0.35 H new ATOM 0 HA ALA A 56 11.882 -6.142 -5.903 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.765 -5.706 -3.468 1.00 0.42 H new ATOM 0 HB2 ALA A 56 13.069 -4.778 -4.244 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.547 -3.971 -3.798 1.00 0.42 H new ATOM 803 N ALA A 57 9.153 -4.445 -5.110 1.00 0.30 N ATOM 804 CA ALA A 57 7.703 -4.557 -4.974 1.00 0.30 C ATOM 805 C ALA A 57 7.080 -5.217 -6.200 1.00 0.30 C ATOM 806 O ALA A 57 6.155 -6.022 -6.081 1.00 0.35 O ATOM 807 CB ALA A 57 7.087 -3.185 -4.749 1.00 0.32 C ATOM 0 H ALA A 57 9.520 -3.508 -4.942 1.00 0.30 H new ATOM 0 HA ALA A 57 7.496 -5.188 -4.109 1.00 0.30 H new ATOM 0 HB1 ALA A 57 6.006 -3.283 -4.649 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.497 -2.747 -3.839 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.316 -2.540 -5.597 1.00 0.32 H new ATOM 813 N ALA A 58 7.593 -4.873 -7.376 1.00 0.31 N ATOM 814 CA ALA A 58 7.086 -5.426 -8.627 1.00 0.33 C ATOM 815 C ALA A 58 7.415 -6.911 -8.754 1.00 0.34 C ATOM 816 O ALA A 58 6.554 -7.719 -9.101 1.00 0.44 O ATOM 817 CB ALA A 58 7.654 -4.657 -9.810 1.00 0.37 C ATOM 0 H ALA A 58 8.362 -4.212 -7.489 1.00 0.31 H new ATOM 0 HA ALA A 58 6.001 -5.324 -8.623 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.268 -5.079 -10.738 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.360 -3.610 -9.738 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.742 -4.730 -9.803 1.00 0.37 H new ATOM 823 N LEU A 59 8.668 -7.262 -8.473 1.00 0.35 N ATOM 824 CA LEU A 59 9.116 -8.648 -8.563 1.00 0.39 C ATOM 825 C LEU A 59 8.373 -9.533 -7.568 1.00 0.42 C ATOM 826 O LEU A 59 8.335 -10.755 -7.718 1.00 0.57 O ATOM 827 CB LEU A 59 10.624 -8.739 -8.314 1.00 0.47 C ATOM 828 CG LEU A 59 11.499 -8.016 -9.341 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.955 -8.026 -8.902 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.351 -8.655 -10.714 1.00 0.61 C ATOM 0 H LEU A 59 9.391 -6.604 -8.181 1.00 0.35 H new ATOM 0 HA LEU A 59 8.897 -9.004 -9.570 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.838 -8.331 -7.326 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.910 -9.791 -8.293 1.00 0.47 H new ATOM 0 HG LEU A 59 11.166 -6.980 -9.407 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.562 -7.508 -9.644 1.00 0.66 H new ATOM 0 HD12 LEU A 59 13.049 -7.522 -7.940 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.299 -9.056 -8.807 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.980 -8.127 -11.431 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.656 -9.700 -10.664 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.310 -8.596 -11.033 1.00 0.61 H new ATOM 842 N ASP A 60 7.787 -8.911 -6.550 1.00 0.44 N ATOM 843 CA ASP A 60 7.047 -9.646 -5.531 1.00 0.52 C ATOM 844 C ASP A 60 5.849 -10.365 -6.144 1.00 0.61 C ATOM 845 O ASP A 60 5.658 -11.563 -5.933 1.00 0.79 O ATOM 846 CB ASP A 60 6.583 -8.699 -4.424 1.00 0.74 C ATOM 847 CG ASP A 60 5.916 -9.432 -3.278 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.628 -9.824 -2.332 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.681 -9.613 -3.327 1.00 1.86 O ATOM 0 H ASP A 60 7.810 -7.901 -6.409 1.00 0.44 H new ATOM 0 HA ASP A 60 7.713 -10.393 -5.100 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.439 -8.140 -4.045 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.887 -7.971 -4.841 1.00 0.74 H new ATOM 854 N GLY A 61 5.046 -9.625 -6.904 1.00 0.72 N ATOM 855 CA GLY A 61 3.882 -10.211 -7.545 1.00 1.06 C ATOM 856 C GLY A 61 2.601 -10.003 -6.760 1.00 0.83 C ATOM 857 O GLY A 61 1.585 -9.590 -7.319 1.00 0.94 O ATOM 0 H GLY A 61 5.181 -8.631 -7.087 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.766 -9.779 -8.539 1.00 1.06 H new ATOM 0 HA3 GLY A 61 4.049 -11.280 -7.680 1.00 1.06 H new ATOM 861 N ARG A 62 2.648 -10.291 -5.463 1.00 0.63 N ATOM 862 CA ARG A 62 1.478 -10.140 -4.602 1.00 0.59 C ATOM 863 C ARG A 62 0.985 -8.696 -4.589 1.00 0.52 C ATOM 864 O ARG A 62 -0.206 -8.441 -4.406 1.00 0.69 O ATOM 865 CB ARG A 62 1.806 -10.588 -3.177 1.00 0.67 C ATOM 866 CG ARG A 62 2.264 -12.035 -3.080 1.00 0.81 C ATOM 867 CD ARG A 62 1.140 -12.999 -3.420 1.00 1.05 C ATOM 868 NE ARG A 62 -0.018 -12.816 -2.548 1.00 1.31 N ATOM 869 CZ ARG A 62 -1.056 -13.646 -2.514 1.00 1.93 C ATOM 870 NH1 ARG A 62 -1.084 -14.712 -3.302 1.00 2.26 N ATOM 871 NH2 ARG A 62 -2.069 -13.408 -1.692 1.00 2.59 N ATOM 0 H ARG A 62 3.483 -10.630 -4.985 1.00 0.63 H new ATOM 0 HA ARG A 62 0.685 -10.770 -5.004 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.585 -9.942 -2.773 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.924 -10.453 -2.551 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.102 -12.199 -3.757 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.625 -12.237 -2.071 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.839 -12.854 -4.458 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.502 -14.024 -3.333 1.00 1.05 H new ATOM 0 HE ARG A 62 -0.031 -12.005 -1.930 1.00 1.31 H new ATOM 0 HH11 ARG A 62 -0.308 -14.897 -3.937 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -1.882 -15.347 -3.273 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -2.052 -12.588 -1.086 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -2.865 -14.045 -1.666 1.00 2.59 H new ATOM 885 N ILE A 63 1.903 -7.755 -4.785 1.00 0.48 N ATOM 886 CA ILE A 63 1.553 -6.340 -4.790 1.00 0.48 C ATOM 887 C ILE A 63 0.890 -5.939 -6.104 1.00 0.49 C ATOM 888 O ILE A 63 1.528 -5.928 -7.156 1.00 0.59 O ATOM 889 CB ILE A 63 2.793 -5.452 -4.555 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.487 -5.855 -3.252 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.394 -3.982 -4.520 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.792 -5.128 -3.005 1.00 0.92 C ATOM 0 H ILE A 63 2.892 -7.946 -4.942 1.00 0.48 H new ATOM 0 HA ILE A 63 0.848 -6.187 -3.973 1.00 0.48 H new ATOM 0 HB ILE A 63 3.491 -5.596 -5.379 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.812 -5.664 -2.418 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.677 -6.928 -3.269 1.00 0.66 H new ATOM 0 HG21 ILE A 63 3.279 -3.369 -4.353 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.935 -3.707 -5.470 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.681 -3.818 -3.712 1.00 0.66 H new ATOM 0 HD11 ILE A 63 5.224 -5.466 -2.063 1.00 0.92 H new ATOM 0 HD12 ILE A 63 5.485 -5.338 -3.819 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.607 -4.055 -2.954 1.00 0.92 H new ATOM 904 N GLU A 64 -0.397 -5.615 -6.032 1.00 0.51 N ATOM 905 CA GLU A 64 -1.156 -5.206 -7.208 1.00 0.58 C ATOM 906 C GLU A 64 -1.192 -3.680 -7.312 1.00 0.56 C ATOM 907 O GLU A 64 -1.315 -2.994 -6.297 1.00 0.66 O ATOM 908 CB GLU A 64 -2.582 -5.765 -7.133 1.00 0.79 C ATOM 909 CG GLU A 64 -3.422 -5.475 -8.367 1.00 1.09 C ATOM 910 CD GLU A 64 -4.834 -6.012 -8.254 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.032 -7.219 -8.504 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.745 -5.224 -7.919 1.00 1.98 O ATOM 0 H GLU A 64 -0.938 -5.628 -5.167 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.667 -5.604 -8.097 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.532 -6.844 -6.985 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.081 -5.346 -6.259 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.460 -4.398 -8.531 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.940 -5.914 -9.241 1.00 1.09 H new ATOM 919 N PRO A 65 -1.067 -3.120 -8.536 1.00 0.56 N ATOM 920 CA PRO A 65 -1.092 -1.666 -8.745 1.00 0.64 C ATOM 921 C PRO A 65 -2.492 -1.068 -8.609 1.00 0.72 C ATOM 922 O PRO A 65 -2.907 -0.245 -9.425 1.00 1.44 O ATOM 923 CB PRO A 65 -0.582 -1.511 -10.179 1.00 0.77 C ATOM 924 CG PRO A 65 -0.973 -2.778 -10.853 1.00 0.83 C ATOM 925 CD PRO A 65 -0.869 -3.853 -9.805 1.00 0.62 C ATOM 0 HA PRO A 65 -0.495 -1.141 -7.999 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -1.030 -0.646 -10.668 1.00 0.77 H new ATOM 0 HB3 PRO A 65 0.498 -1.366 -10.203 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.987 -2.714 -11.247 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.316 -2.990 -11.697 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.626 -4.624 -9.945 1.00 0.62 H new ATOM 0 HD3 PRO A 65 0.101 -4.349 -9.834 1.00 0.62 H new ATOM 933 N ASN A 66 -3.213 -1.486 -7.572 1.00 0.60 N ATOM 934 CA ASN A 66 -4.562 -0.989 -7.319 1.00 0.59 C ATOM 935 C ASN A 66 -5.027 -1.398 -5.924 1.00 0.51 C ATOM 936 O ASN A 66 -5.916 -2.237 -5.775 1.00 0.73 O ATOM 937 CB ASN A 66 -5.535 -1.518 -8.376 1.00 0.66 C ATOM 938 CG ASN A 66 -6.930 -0.941 -8.220 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.768 -1.495 -7.509 1.00 2.15 O ATOM 940 ND2 ASN A 66 -7.185 0.177 -8.889 1.00 2.01 N ATOM 0 H ASN A 66 -2.884 -2.170 -6.891 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.544 0.099 -7.376 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.154 -1.278 -9.369 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -5.585 -2.605 -8.308 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -8.106 0.611 -8.825 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -6.460 0.602 -9.467 1.00 2.01 H new ATOM 947 N ASP A 67 -4.414 -0.804 -4.905 1.00 0.36 N ATOM 948 CA ASP A 67 -4.761 -1.108 -3.519 1.00 0.34 C ATOM 949 C ASP A 67 -4.619 0.129 -2.641 1.00 0.30 C ATOM 950 O ASP A 67 -4.098 1.155 -3.079 1.00 0.38 O ATOM 951 CB ASP A 67 -3.865 -2.225 -2.983 1.00 0.41 C ATOM 952 CG ASP A 67 -2.413 -1.800 -2.881 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.063 -1.116 -1.896 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.626 -2.152 -3.784 1.00 2.02 O ATOM 0 H ASP A 67 -3.675 -0.109 -5.012 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.800 -1.436 -3.494 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -4.221 -2.533 -2.000 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.942 -3.094 -3.636 1.00 0.41 H new ATOM 959 N LYS A 68 -5.086 0.027 -1.399 1.00 0.27 N ATOM 960 CA LYS A 68 -5.007 1.140 -0.461 1.00 0.28 C ATOM 961 C LYS A 68 -4.090 0.802 0.713 1.00 0.26 C ATOM 962 O LYS A 68 -4.467 0.046 1.608 1.00 0.38 O ATOM 963 CB LYS A 68 -6.404 1.493 0.048 1.00 0.37 C ATOM 964 CG LYS A 68 -6.445 2.765 0.875 1.00 0.53 C ATOM 965 CD LYS A 68 -7.865 3.111 1.289 1.00 0.53 C ATOM 966 CE LYS A 68 -7.913 4.426 2.042 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.303 4.799 2.425 1.00 1.02 N ATOM 0 H LYS A 68 -5.522 -0.814 -1.021 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.587 2.000 -0.983 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.075 1.601 -0.804 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.782 0.666 0.649 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.825 2.644 1.763 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.021 3.588 0.300 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.499 3.172 0.405 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.268 2.315 1.916 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.297 4.353 2.938 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.484 5.214 1.423 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.291 5.704 2.938 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.885 4.894 1.569 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.705 4.060 3.037 1.00 1.02 H new ATOM 981 N ILE A 69 -2.885 1.369 0.699 1.00 0.24 N ATOM 982 CA ILE A 69 -1.909 1.130 1.759 1.00 0.21 C ATOM 983 C ILE A 69 -2.466 1.540 3.120 1.00 0.21 C ATOM 984 O ILE A 69 -3.224 2.505 3.225 1.00 0.29 O ATOM 985 CB ILE A 69 -0.597 1.900 1.499 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.010 1.514 0.137 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.411 1.634 2.610 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.360 0.049 0.022 1.00 0.28 C ATOM 0 H ILE A 69 -2.561 1.998 -0.036 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.699 0.060 1.762 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.821 2.967 1.489 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.732 1.759 -0.642 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.877 2.119 -0.050 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.329 2.186 2.408 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.005 1.958 3.564 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.631 0.567 2.654 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.768 -0.146 -0.970 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.106 -0.198 0.777 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.528 -0.564 0.176 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.085 0.800 4.159 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.549 1.086 5.512 1.00 0.21 C ATOM 1002 C LEU A 70 -1.380 1.283 6.473 1.00 0.20 C ATOM 1003 O LEU A 70 -1.158 2.386 6.976 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.449 -0.044 6.014 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.708 -0.294 5.179 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.488 -1.477 5.733 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.584 0.951 5.142 1.00 0.38 C ATOM 0 H LEU A 70 -1.457 -0.001 4.089 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.120 2.014 5.477 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.866 -0.964 6.047 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.750 0.180 7.038 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.402 -0.528 4.159 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.380 -1.641 5.128 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.863 -2.369 5.707 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.781 -1.270 6.762 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.473 0.753 4.544 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.881 1.217 6.156 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.026 1.776 4.699 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.632 0.211 6.725 1.00 0.20 N ATOM 1020 CA ARG A 71 0.505 0.276 7.637 1.00 0.25 C ATOM 1021 C ARG A 71 1.747 -0.375 7.037 1.00 0.18 C ATOM 1022 O ARG A 71 1.680 -1.463 6.467 1.00 0.26 O ATOM 1023 CB ARG A 71 0.159 -0.405 8.964 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.115 0.121 9.607 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.350 -0.504 10.973 1.00 0.77 C ATOM 1026 NE ARG A 71 -1.326 -1.963 10.924 1.00 1.38 N ATOM 1027 CZ ARG A 71 -2.062 -2.741 11.712 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -2.883 -2.200 12.603 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -1.981 -4.060 11.608 1.00 2.61 N ATOM 0 H ARG A 71 -0.792 -0.708 6.312 1.00 0.20 H new ATOM 0 HA ARG A 71 0.725 1.329 7.812 1.00 0.25 H new ATOM 0 HB2 ARG A 71 0.055 -1.477 8.796 1.00 0.38 H new ATOM 0 HB3 ARG A 71 0.988 -0.270 9.658 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.052 1.205 9.708 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.965 -0.090 8.958 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -0.587 -0.153 11.667 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -2.312 -0.171 11.362 1.00 0.77 H new ATOM 0 HE ARG A 71 -0.709 -2.411 10.246 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.950 -1.185 12.684 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -3.447 -2.799 13.207 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -1.353 -4.480 10.923 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -2.546 -4.655 12.213 1.00 2.61 H new ATOM 1043 N VAL A 72 2.879 0.306 7.174 1.00 0.21 N ATOM 1044 CA VAL A 72 4.150 -0.195 6.669 1.00 0.17 C ATOM 1045 C VAL A 72 4.937 -0.859 7.799 1.00 0.17 C ATOM 1046 O VAL A 72 4.522 -0.814 8.955 1.00 0.20 O ATOM 1047 CB VAL A 72 4.992 0.946 6.055 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.116 0.396 5.186 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.107 1.888 5.254 1.00 0.28 C ATOM 0 H VAL A 72 2.941 1.214 7.635 1.00 0.21 H new ATOM 0 HA VAL A 72 3.938 -0.928 5.890 1.00 0.17 H new ATOM 0 HB VAL A 72 5.446 1.506 6.872 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.691 1.223 4.768 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.770 -0.231 5.791 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.692 -0.197 4.376 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.716 2.686 4.829 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.620 1.335 4.451 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.349 2.320 5.908 1.00 0.28 H new ATOM 1059 N ASP A 73 6.055 -1.493 7.459 1.00 0.18 N ATOM 1060 CA ASP A 73 6.897 -2.153 8.453 1.00 0.21 C ATOM 1061 C ASP A 73 7.227 -1.217 9.616 1.00 0.22 C ATOM 1062 O ASP A 73 7.997 -0.270 9.463 1.00 0.23 O ATOM 1063 CB ASP A 73 8.193 -2.634 7.805 1.00 0.26 C ATOM 1064 CG ASP A 73 9.039 -3.467 8.748 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.689 -4.644 8.977 1.00 0.79 O ATOM 1066 OD2 ASP A 73 10.052 -2.943 9.257 1.00 0.56 O ATOM 0 H ASP A 73 6.400 -1.564 6.502 1.00 0.18 H new ATOM 0 HA ASP A 73 6.342 -3.005 8.845 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.956 -3.223 6.919 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.770 -1.772 7.470 1.00 0.26 H new ATOM 1071 N ASP A 74 6.634 -1.494 10.776 1.00 0.25 N ATOM 1072 CA ASP A 74 6.866 -0.694 11.981 1.00 0.29 C ATOM 1073 C ASP A 74 6.475 0.770 11.776 1.00 0.25 C ATOM 1074 O ASP A 74 6.835 1.633 12.577 1.00 0.29 O ATOM 1075 CB ASP A 74 8.335 -0.787 12.401 1.00 0.35 C ATOM 1076 CG ASP A 74 8.753 -2.207 12.730 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.573 -2.626 13.892 1.00 1.34 O ATOM 1078 OD2 ASP A 74 9.260 -2.901 11.822 1.00 2.01 O ATOM 0 H ASP A 74 5.986 -2.270 10.909 1.00 0.25 H new ATOM 0 HA ASP A 74 6.234 -1.100 12.771 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.965 -0.402 11.599 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.503 -0.151 13.270 1.00 0.35 H new ATOM 1083 N VAL A 75 5.738 1.043 10.705 1.00 0.27 N ATOM 1084 CA VAL A 75 5.299 2.404 10.404 1.00 0.27 C ATOM 1085 C VAL A 75 3.828 2.422 9.990 1.00 0.37 C ATOM 1086 O VAL A 75 3.285 1.407 9.557 1.00 0.79 O ATOM 1087 CB VAL A 75 6.152 3.031 9.279 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.764 4.485 9.051 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.634 2.917 9.602 1.00 0.41 C ATOM 0 H VAL A 75 5.431 0.342 10.030 1.00 0.27 H new ATOM 0 HA VAL A 75 5.425 2.993 11.313 1.00 0.27 H new ATOM 0 HB VAL A 75 5.958 2.479 8.359 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.378 4.905 8.254 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.713 4.541 8.767 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.922 5.052 9.968 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.217 3.364 8.797 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.844 3.439 10.536 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.904 1.866 9.705 1.00 0.41 H new ATOM 1099 N ASN A 76 3.186 3.577 10.139 1.00 0.30 N ATOM 1100 CA ASN A 76 1.781 3.726 9.771 1.00 0.37 C ATOM 1101 C ASN A 76 1.589 4.941 8.870 1.00 0.42 C ATOM 1102 O ASN A 76 2.032 6.042 9.199 1.00 0.58 O ATOM 1103 CB ASN A 76 0.911 3.857 11.024 1.00 0.46 C ATOM 1104 CG ASN A 76 1.356 4.993 11.924 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.189 4.809 12.811 1.00 2.24 O ATOM 1106 ND2 ASN A 76 0.801 6.179 11.699 1.00 2.08 N ATOM 0 H ASN A 76 3.616 4.423 10.512 1.00 0.30 H new ATOM 0 HA ASN A 76 1.475 2.835 9.223 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.126 4.017 10.727 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.941 2.922 11.583 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.062 6.981 12.273 1.00 2.08 H new ATOM 0 HD22 ASN A 76 0.114 6.287 10.953 1.00 2.08 H new ATOM 1113 N VAL A 77 0.925 4.739 7.734 1.00 0.35 N ATOM 1114 CA VAL A 77 0.689 5.825 6.788 1.00 0.43 C ATOM 1115 C VAL A 77 -0.760 6.300 6.836 1.00 0.53 C ATOM 1116 O VAL A 77 -1.274 6.854 5.865 1.00 0.67 O ATOM 1117 CB VAL A 77 1.037 5.403 5.347 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.500 5.004 5.246 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.135 4.268 4.886 1.00 0.53 C ATOM 0 H VAL A 77 0.543 3.838 7.448 1.00 0.35 H new ATOM 0 HA VAL A 77 1.342 6.646 7.085 1.00 0.43 H new ATOM 0 HB VAL A 77 0.870 6.257 4.690 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.727 4.709 4.221 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.128 5.849 5.528 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.696 4.167 5.916 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.398 3.986 3.866 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.265 3.410 5.545 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.905 4.594 4.916 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.414 6.081 7.973 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.802 6.493 8.145 1.00 0.72 C ATOM 1131 C GLN A 78 -2.880 7.903 8.720 1.00 0.61 C ATOM 1132 O GLN A 78 -3.793 8.223 9.484 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.540 5.510 9.058 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.599 4.094 8.509 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.263 4.023 7.148 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.463 4.141 6.094 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.478 3.862 7.044 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.006 5.622 8.787 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.281 6.493 7.166 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.049 5.493 10.031 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.556 5.870 9.220 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.588 3.694 8.437 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.144 3.460 9.208 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.055 3.776 7.881 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -5.909 3.814 6.121 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.920 8.743 8.347 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.899 10.110 8.834 1.00 0.48 C ATOM 1148 C GLY A 79 -0.612 10.836 8.493 1.00 0.41 C ATOM 1149 O GLY A 79 -0.241 11.800 9.163 1.00 0.55 O ATOM 0 H GLY A 79 -1.156 8.501 7.716 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.742 10.655 8.409 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.034 10.108 9.916 1.00 0.48 H new ATOM 1153 N MET A 80 0.074 10.375 7.450 1.00 0.32 N ATOM 1154 CA MET A 80 1.323 10.994 7.022 1.00 0.33 C ATOM 1155 C MET A 80 1.202 11.520 5.595 1.00 0.30 C ATOM 1156 O MET A 80 0.587 10.883 4.738 1.00 0.34 O ATOM 1157 CB MET A 80 2.476 9.991 7.117 1.00 0.39 C ATOM 1158 CG MET A 80 2.633 9.375 8.499 1.00 0.46 C ATOM 1159 SD MET A 80 4.201 8.505 8.700 1.00 0.52 S ATOM 1160 CE MET A 80 4.137 7.356 7.329 1.00 0.48 C ATOM 0 H MET A 80 -0.215 9.575 6.887 1.00 0.32 H new ATOM 0 HA MET A 80 1.532 11.834 7.685 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.316 9.195 6.389 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.405 10.491 6.843 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.558 10.159 9.252 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.812 8.681 8.678 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.022 6.341 7.710 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.290 7.601 6.688 1.00 0.48 H new ATOM 0 HE3 MET A 80 5.060 7.425 6.753 1.00 0.48 H new ATOM 1170 N ALA A 81 1.791 12.688 5.348 1.00 0.29 N ATOM 1171 CA ALA A 81 1.745 13.306 4.027 1.00 0.31 C ATOM 1172 C ALA A 81 2.351 12.397 2.964 1.00 0.26 C ATOM 1173 O ALA A 81 3.164 11.527 3.273 1.00 0.23 O ATOM 1174 CB ALA A 81 2.463 14.647 4.045 1.00 0.39 C ATOM 0 H ALA A 81 2.306 13.225 6.046 1.00 0.29 H new ATOM 0 HA ALA A 81 0.698 13.467 3.772 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.420 15.096 3.053 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.980 15.309 4.764 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.504 14.498 4.332 1.00 0.39 H new ATOM 1180 N GLN A 82 1.951 12.608 1.714 1.00 0.33 N ATOM 1181 CA GLN A 82 2.450 11.806 0.599 1.00 0.35 C ATOM 1182 C GLN A 82 3.974 11.736 0.606 1.00 0.31 C ATOM 1183 O GLN A 82 4.556 10.651 0.657 1.00 0.31 O ATOM 1184 CB GLN A 82 1.962 12.388 -0.729 1.00 0.42 C ATOM 1185 CG GLN A 82 2.397 11.584 -1.944 1.00 0.51 C ATOM 1186 CD GLN A 82 1.946 12.207 -3.249 1.00 0.76 C ATOM 1187 OE1 GLN A 82 2.660 13.014 -3.845 1.00 1.52 O ATOM 1188 NE2 GLN A 82 0.754 11.837 -3.701 1.00 0.74 N ATOM 0 H GLN A 82 1.281 13.329 1.446 1.00 0.33 H new ATOM 0 HA GLN A 82 2.062 10.794 0.714 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.874 12.445 -0.713 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.333 13.408 -0.827 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.483 11.494 -1.945 1.00 0.51 H new ATOM 0 HG3 GLN A 82 1.994 10.574 -1.870 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.195 11.165 -3.175 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.397 12.225 -4.574 1.00 0.74 H new ATOM 1197 N SER A 83 4.612 12.902 0.553 1.00 0.32 N ATOM 1198 CA SER A 83 6.069 12.982 0.547 1.00 0.35 C ATOM 1199 C SER A 83 6.672 12.224 1.725 1.00 0.30 C ATOM 1200 O SER A 83 7.703 11.566 1.589 1.00 0.35 O ATOM 1201 CB SER A 83 6.516 14.444 0.587 1.00 0.44 C ATOM 1202 OG SER A 83 6.033 15.093 1.750 1.00 1.48 O ATOM 0 H SER A 83 4.141 13.806 0.514 1.00 0.32 H new ATOM 0 HA SER A 83 6.425 12.519 -0.373 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.605 14.496 0.563 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.153 14.963 -0.300 1.00 0.44 H new ATOM 0 HG SER A 83 6.334 16.026 1.753 1.00 1.48 H new ATOM 1208 N ASP A 84 6.020 12.317 2.881 1.00 0.24 N ATOM 1209 CA ASP A 84 6.496 11.644 4.085 1.00 0.24 C ATOM 1210 C ASP A 84 6.536 10.130 3.887 1.00 0.20 C ATOM 1211 O ASP A 84 7.506 9.471 4.264 1.00 0.24 O ATOM 1212 CB ASP A 84 5.600 11.989 5.274 1.00 0.27 C ATOM 1213 CG ASP A 84 6.105 11.386 6.571 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.817 10.197 6.823 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.786 12.102 7.333 1.00 0.97 O ATOM 0 H ASP A 84 5.161 12.852 3.009 1.00 0.24 H new ATOM 0 HA ASP A 84 7.509 11.992 4.287 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.541 13.072 5.379 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.589 11.632 5.080 1.00 0.27 H new ATOM 1220 N VAL A 85 5.476 9.587 3.296 1.00 0.19 N ATOM 1221 CA VAL A 85 5.385 8.152 3.051 1.00 0.22 C ATOM 1222 C VAL A 85 6.534 7.673 2.168 1.00 0.21 C ATOM 1223 O VAL A 85 7.109 6.611 2.403 1.00 0.24 O ATOM 1224 CB VAL A 85 4.045 7.779 2.386 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.934 6.274 2.206 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.876 8.307 3.204 1.00 0.30 C ATOM 0 H VAL A 85 4.667 10.120 2.978 1.00 0.19 H new ATOM 0 HA VAL A 85 5.447 7.659 4.021 1.00 0.22 H new ATOM 0 HB VAL A 85 4.013 8.244 1.401 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.981 6.033 1.735 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.750 5.922 1.575 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.992 5.786 3.179 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.939 8.034 2.718 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.906 7.874 4.204 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.944 9.392 3.277 1.00 0.30 H new ATOM 1236 N VAL A 86 6.864 8.466 1.152 1.00 0.22 N ATOM 1237 CA VAL A 86 7.945 8.126 0.235 1.00 0.25 C ATOM 1238 C VAL A 86 9.278 8.044 0.971 1.00 0.24 C ATOM 1239 O VAL A 86 10.102 7.174 0.688 1.00 0.26 O ATOM 1240 CB VAL A 86 8.060 9.157 -0.904 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.174 8.773 -1.868 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.735 9.291 -1.638 1.00 0.34 C ATOM 0 H VAL A 86 6.397 9.349 0.944 1.00 0.22 H new ATOM 0 HA VAL A 86 7.707 7.152 -0.192 1.00 0.25 H new ATOM 0 HB VAL A 86 8.309 10.124 -0.467 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.238 9.514 -2.664 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.122 8.734 -1.332 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.961 7.795 -2.299 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.835 10.023 -2.439 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.454 8.327 -2.061 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.964 9.619 -0.941 1.00 0.34 H new ATOM 1252 N GLU A 87 9.483 8.957 1.916 1.00 0.25 N ATOM 1253 CA GLU A 87 10.714 8.987 2.695 1.00 0.26 C ATOM 1254 C GLU A 87 10.903 7.680 3.459 1.00 0.24 C ATOM 1255 O GLU A 87 11.996 7.115 3.479 1.00 0.26 O ATOM 1256 CB GLU A 87 10.698 10.167 3.670 1.00 0.32 C ATOM 1257 CG GLU A 87 10.694 11.523 2.983 1.00 0.75 C ATOM 1258 CD GLU A 87 10.651 12.675 3.968 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.724 13.066 4.471 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.543 13.187 4.236 1.00 1.51 O ATOM 0 H GLU A 87 8.812 9.685 2.160 1.00 0.25 H new ATOM 0 HA GLU A 87 11.550 9.109 2.006 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.817 10.089 4.307 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.570 10.101 4.321 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.585 11.614 2.362 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.833 11.587 2.317 1.00 0.75 H new ATOM 1267 N VAL A 88 9.828 7.204 4.083 1.00 0.22 N ATOM 1268 CA VAL A 88 9.871 5.961 4.844 1.00 0.22 C ATOM 1269 C VAL A 88 10.340 4.800 3.974 1.00 0.23 C ATOM 1270 O VAL A 88 11.291 4.094 4.317 1.00 0.25 O ATOM 1271 CB VAL A 88 8.487 5.613 5.430 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.485 4.208 6.016 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.078 6.635 6.479 1.00 0.27 C ATOM 0 H VAL A 88 8.917 7.662 4.076 1.00 0.22 H new ATOM 0 HA VAL A 88 10.579 6.115 5.659 1.00 0.22 H new ATOM 0 HB VAL A 88 7.757 5.642 4.621 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.499 3.985 6.423 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.726 3.487 5.235 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.228 4.144 6.811 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.099 6.372 6.881 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.811 6.642 7.286 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.030 7.624 6.024 1.00 0.27 H new ATOM 1283 N LEU A 89 9.662 4.608 2.849 1.00 0.24 N ATOM 1284 CA LEU A 89 9.991 3.531 1.928 1.00 0.28 C ATOM 1285 C LEU A 89 11.453 3.599 1.492 1.00 0.32 C ATOM 1286 O LEU A 89 12.093 2.570 1.275 1.00 0.39 O ATOM 1287 CB LEU A 89 9.077 3.590 0.701 1.00 0.32 C ATOM 1288 CG LEU A 89 7.585 3.417 0.994 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.766 3.623 -0.271 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.311 2.041 1.587 1.00 0.35 C ATOM 0 H LEU A 89 8.877 5.188 2.553 1.00 0.24 H new ATOM 0 HA LEU A 89 9.837 2.586 2.449 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.225 4.548 0.203 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.386 2.815 -0.000 1.00 0.32 H new ATOM 0 HG LEU A 89 7.290 4.171 1.724 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.708 3.496 -0.044 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.937 4.629 -0.655 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.066 2.892 -1.022 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.245 1.937 1.788 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.623 1.272 0.881 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.869 1.928 2.517 1.00 0.35 H new ATOM 1302 N ARG A 90 11.974 4.816 1.365 1.00 0.31 N ATOM 1303 CA ARG A 90 13.360 5.014 0.952 1.00 0.37 C ATOM 1304 C ARG A 90 14.320 4.823 2.121 1.00 0.37 C ATOM 1305 O ARG A 90 15.522 4.640 1.924 1.00 0.48 O ATOM 1306 CB ARG A 90 13.541 6.408 0.350 1.00 0.41 C ATOM 1307 CG ARG A 90 12.874 6.573 -1.005 1.00 0.49 C ATOM 1308 CD ARG A 90 13.118 7.956 -1.585 1.00 0.72 C ATOM 1309 NE ARG A 90 12.530 9.008 -0.760 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.441 10.279 -1.139 1.00 1.59 C ATOM 1311 NH1 ARG A 90 12.904 10.655 -2.324 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.889 11.176 -0.334 1.00 2.10 N ATOM 0 H ARG A 90 11.459 5.678 1.542 1.00 0.31 H new ATOM 0 HA ARG A 90 13.592 4.264 0.196 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.135 7.148 1.039 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.606 6.617 0.250 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.254 5.817 -1.693 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.802 6.403 -0.906 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.191 8.126 -1.678 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.699 8.007 -2.590 1.00 0.72 H new ATOM 0 HE ARG A 90 12.167 8.753 0.159 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.329 9.968 -2.947 1.00 1.82 H new ATOM 0 HH12 ARG A 90 12.834 11.631 -2.612 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.532 10.891 0.578 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.822 12.151 -0.627 1.00 2.10 H new ATOM 1326 N ASN A 91 13.787 4.868 3.337 1.00 0.32 N ATOM 1327 CA ASN A 91 14.602 4.696 4.535 1.00 0.36 C ATOM 1328 C ASN A 91 14.686 3.227 4.937 1.00 0.36 C ATOM 1329 O ASN A 91 15.535 2.842 5.740 1.00 0.42 O ATOM 1330 CB ASN A 91 14.036 5.524 5.691 1.00 0.38 C ATOM 1331 CG ASN A 91 14.373 6.999 5.575 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.506 7.486 4.346 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.509 7.695 6.581 1.00 1.14 N flip ATOM 0 H ASN A 91 12.795 5.022 3.520 1.00 0.32 H new ATOM 0 HA ASN A 91 15.609 5.047 4.307 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.953 5.404 5.722 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.426 5.139 6.633 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.398 7.281 7.507 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.732 8.686 6.489 1.00 1.14 H new ATOM 1340 N ALA A 92 13.794 2.410 4.378 1.00 0.32 N ATOM 1341 CA ALA A 92 13.770 0.982 4.676 1.00 0.34 C ATOM 1342 C ALA A 92 15.131 0.333 4.421 1.00 0.46 C ATOM 1343 O ALA A 92 15.949 0.216 5.333 1.00 0.55 O ATOM 1344 CB ALA A 92 12.693 0.291 3.854 1.00 0.32 C ATOM 0 H ALA A 92 13.079 2.714 3.717 1.00 0.32 H new ATOM 0 HA ALA A 92 13.540 0.866 5.735 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.686 -0.774 4.086 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.721 0.721 4.093 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.900 0.430 2.793 1.00 0.32 H new ATOM 1350 N GLY A 93 15.368 -0.087 3.180 1.00 0.53 N ATOM 1351 CA GLY A 93 16.629 -0.725 2.841 1.00 0.68 C ATOM 1352 C GLY A 93 16.823 -2.040 3.572 1.00 0.66 C ATOM 1353 O GLY A 93 17.933 -2.570 3.634 1.00 0.76 O ATOM 0 H GLY A 93 14.711 0.003 2.405 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.668 -0.900 1.766 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.451 -0.052 3.084 1.00 0.68 H new ATOM 1357 N ASN A 94 15.736 -2.560 4.129 1.00 0.54 N ATOM 1358 CA ASN A 94 15.770 -3.816 4.869 1.00 0.54 C ATOM 1359 C ASN A 94 14.450 -4.577 4.692 1.00 0.43 C ATOM 1360 O ASN A 94 13.528 -4.070 4.050 1.00 0.39 O ATOM 1361 CB ASN A 94 16.036 -3.523 6.352 1.00 0.59 C ATOM 1362 CG ASN A 94 15.261 -2.321 6.863 1.00 1.57 C ATOM 1363 OD1 ASN A 94 14.064 -2.107 6.328 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 15.735 -1.591 7.735 1.00 2.52 N flip ATOM 0 H ASN A 94 14.813 -2.128 4.082 1.00 0.54 H new ATOM 0 HA ASN A 94 16.572 -4.444 4.481 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.771 -4.399 6.944 1.00 0.59 H new ATOM 0 HB3 ASN A 94 17.102 -3.351 6.498 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.658 -1.790 8.120 1.00 2.52 H new ATOM 0 HD22 ASN A 94 15.204 -0.788 8.072 1.00 2.52 H new ATOM 1371 N PRO A 95 14.346 -5.823 5.209 1.00 0.41 N ATOM 1372 CA PRO A 95 13.104 -6.599 5.118 1.00 0.35 C ATOM 1373 C PRO A 95 11.938 -5.864 5.768 1.00 0.32 C ATOM 1374 O PRO A 95 11.861 -5.768 6.994 1.00 0.45 O ATOM 1375 CB PRO A 95 13.420 -7.888 5.881 1.00 0.44 C ATOM 1376 CG PRO A 95 14.905 -7.997 5.850 1.00 0.64 C ATOM 1377 CD PRO A 95 15.420 -6.586 5.875 1.00 0.51 C ATOM 0 HA PRO A 95 12.803 -6.776 4.085 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.048 -7.842 6.905 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.950 -8.751 5.410 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.273 -8.563 6.706 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.240 -8.520 4.954 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.589 -6.237 6.894 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.368 -6.494 5.345 1.00 0.51 H new ATOM 1385 N VAL A 96 11.032 -5.347 4.944 1.00 0.28 N ATOM 1386 CA VAL A 96 9.883 -4.602 5.446 1.00 0.33 C ATOM 1387 C VAL A 96 8.562 -5.288 5.113 1.00 0.28 C ATOM 1388 O VAL A 96 8.389 -5.845 4.029 1.00 0.30 O ATOM 1389 CB VAL A 96 9.858 -3.172 4.875 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.996 -2.347 5.453 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.933 -3.201 3.355 1.00 0.38 C ATOM 0 H VAL A 96 11.071 -5.430 3.928 1.00 0.28 H new ATOM 0 HA VAL A 96 9.993 -4.565 6.530 1.00 0.33 H new ATOM 0 HB VAL A 96 8.916 -2.704 5.161 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.962 -1.340 5.038 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.895 -2.297 6.537 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.948 -2.812 5.199 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.914 -2.181 2.970 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.857 -3.688 3.046 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.081 -3.754 2.959 1.00 0.38 H new ATOM 1401 N ARG A 97 7.631 -5.236 6.060 1.00 0.24 N ATOM 1402 CA ARG A 97 6.315 -5.830 5.885 1.00 0.22 C ATOM 1403 C ARG A 97 5.337 -4.774 5.386 1.00 0.18 C ATOM 1404 O ARG A 97 5.433 -3.603 5.760 1.00 0.18 O ATOM 1405 CB ARG A 97 5.824 -6.429 7.205 1.00 0.27 C ATOM 1406 CG ARG A 97 4.519 -7.200 7.085 1.00 0.69 C ATOM 1407 CD ARG A 97 4.109 -7.807 8.418 1.00 0.71 C ATOM 1408 NE ARG A 97 2.882 -8.592 8.313 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.172 -8.991 9.364 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.560 -8.670 10.591 1.00 0.88 N ATOM 1411 NH2 ARG A 97 1.071 -9.711 9.190 1.00 2.37 N ATOM 0 H ARG A 97 7.768 -4.784 6.964 1.00 0.24 H new ATOM 0 HA ARG A 97 6.380 -6.630 5.147 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.593 -7.094 7.599 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.695 -5.626 7.931 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.733 -6.534 6.729 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.628 -7.990 6.342 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.914 -8.442 8.789 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.968 -7.011 9.149 1.00 0.71 H new ATOM 0 HE ARG A 97 2.552 -8.848 7.383 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.405 -8.116 10.730 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.013 -8.977 11.396 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.768 -9.960 8.248 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.528 -10.016 9.998 1.00 2.37 H new ATOM 1425 N LEU A 98 4.403 -5.187 4.540 1.00 0.19 N ATOM 1426 CA LEU A 98 3.424 -4.264 3.984 1.00 0.18 C ATOM 1427 C LEU A 98 1.999 -4.699 4.315 1.00 0.18 C ATOM 1428 O LEU A 98 1.659 -5.877 4.212 1.00 0.30 O ATOM 1429 CB LEU A 98 3.599 -4.171 2.468 1.00 0.23 C ATOM 1430 CG LEU A 98 5.048 -4.107 1.975 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.091 -4.122 0.455 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.748 -2.867 2.510 1.00 0.37 C ATOM 0 H LEU A 98 4.303 -6.152 4.225 1.00 0.19 H new ATOM 0 HA LEU A 98 3.591 -3.285 4.432 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.115 -5.034 2.010 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.073 -3.285 2.113 1.00 0.23 H new ATOM 0 HG LEU A 98 5.574 -4.985 2.350 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.127 -4.076 0.120 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.631 -5.039 0.087 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.546 -3.262 0.067 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.775 -2.844 2.146 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.222 -1.976 2.168 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.749 -2.892 3.600 1.00 0.37 H new ATOM 1444 N LEU A 99 1.173 -3.736 4.712 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.221 -4.007 5.051 1.00 0.19 C ATOM 1446 C LEU A 99 -1.153 -3.138 4.213 1.00 0.19 C ATOM 1447 O LEU A 99 -1.300 -1.944 4.472 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.470 -3.754 6.539 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.897 -4.041 7.015 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.173 -5.535 7.005 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -2.122 -3.466 8.404 1.00 0.36 C ATOM 0 H LEU A 99 1.446 -2.758 4.807 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.427 -5.055 4.834 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.220 -4.369 7.117 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.232 -2.714 6.760 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.592 -3.559 6.327 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.192 -5.719 7.346 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -2.054 -5.920 5.992 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.471 -6.039 7.669 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -3.141 -3.680 8.726 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.419 -3.918 9.103 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.968 -2.387 8.381 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.779 -3.744 3.211 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.690 -3.020 2.331 1.00 0.23 C ATOM 1465 C LEU A 100 -4.029 -3.740 2.214 1.00 0.24 C ATOM 1466 O LEU A 100 -4.093 -4.968 2.265 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.060 -2.845 0.944 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.011 -3.896 0.562 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.647 -5.272 0.432 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.315 -3.507 -0.733 1.00 0.31 C ATOM 0 H LEU A 100 -1.673 -4.734 2.987 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.871 -2.037 2.766 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.854 -2.861 0.198 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.597 -1.859 0.895 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.266 -3.939 1.357 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.884 -6.001 0.160 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.098 -5.556 1.383 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.415 -5.246 -0.341 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.426 -4.264 -0.989 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.051 -3.434 -1.534 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.179 -2.544 -0.605 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.100 -2.967 2.060 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.438 -3.534 1.940 1.00 0.29 C ATOM 1484 C ILE A 101 -6.868 -3.619 0.477 1.00 0.32 C ATOM 1485 O ILE A 101 -6.541 -2.745 -0.330 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.475 -2.707 2.729 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.859 -3.358 2.635 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.518 -1.275 2.216 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.909 -2.690 3.497 1.00 0.45 C ATOM 0 H ILE A 101 -5.067 -1.949 2.016 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.397 -4.538 2.361 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.176 -2.684 3.777 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.189 -3.339 1.596 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.778 -4.406 2.924 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.255 -0.707 2.784 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.536 -0.816 2.334 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.794 -1.274 1.161 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.861 -3.207 3.377 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.602 -2.732 4.542 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -10.020 -1.649 3.194 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.598 -4.679 0.145 1.00 0.39 N ATOM 1502 CA ARG A 102 -8.078 -4.888 -1.217 1.00 0.46 C ATOM 1503 C ARG A 102 -9.558 -5.253 -1.225 1.00 0.60 C ATOM 1504 O ARG A 102 -10.019 -6.030 -0.389 1.00 0.81 O ATOM 1505 CB ARG A 102 -7.268 -5.990 -1.903 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.990 -5.495 -2.559 1.00 1.27 C ATOM 1507 CD ARG A 102 -6.288 -4.656 -3.792 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.049 -5.402 -4.791 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.084 -4.900 -5.458 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -8.487 -3.657 -5.226 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.717 -5.641 -6.358 1.00 2.20 N ATOM 0 H ARG A 102 -7.871 -5.409 0.803 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.949 -3.955 -1.765 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -7.015 -6.754 -1.167 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.891 -6.469 -2.658 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.418 -4.904 -1.844 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -5.369 -6.346 -2.838 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -6.847 -3.768 -3.499 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -5.352 -4.313 -4.232 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.770 -6.363 -4.988 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.003 -3.084 -4.535 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.281 -3.274 -5.739 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.410 -6.597 -6.539 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.511 -5.255 -6.869 1.00 2.20 H new