USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 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 -136:sc= 0.00587 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.00607 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 81:sc= 1.22 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 30:sc= 0.0766 USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= -0.725 (180deg=-1.43) USER MOD Single : A 24 THR OG1 : rot 109:sc= 0.134 USER MOD Single : A 25 SER OG : rot 6:sc= 0.727 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0405 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -80:sc= 1.12 USER MOD Single : A 66 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.442 K(o=-0.44,f=-6.1!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.955 F(o=-2.2!,f=-0.95) USER MOD Single : A 80 MET CE :methyl -124:sc= -2.4 (180deg=-3.63) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 91 ASN : amide:sc= -0.767 K(o=-0.77,f=-1.6) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.331 F(o=-1.7,f=0.33) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.869 -7.190 1.877 1.00 0.55 N ATOM 139 CA SER A 12 -10.082 -8.188 2.590 1.00 0.45 C ATOM 140 C SER A 12 -8.675 -7.666 2.868 1.00 0.39 C ATOM 141 O SER A 12 -8.091 -6.958 2.045 1.00 0.38 O ATOM 142 CB SER A 12 -10.017 -9.487 1.785 1.00 0.51 C ATOM 143 OG SER A 12 -9.517 -9.255 0.482 1.00 0.90 O ATOM 0 HA SER A 12 -10.568 -8.391 3.544 1.00 0.45 H new ATOM 0 HB2 SER A 12 -9.379 -10.206 2.300 1.00 0.51 H new ATOM 0 HB3 SER A 12 -11.011 -9.930 1.723 1.00 0.51 H new ATOM 0 HG SER A 12 -8.539 -9.205 0.511 1.00 0.90 H new ATOM 149 N LEU A 13 -8.139 -8.019 4.033 1.00 0.41 N ATOM 150 CA LEU A 13 -6.804 -7.581 4.430 1.00 0.40 C ATOM 151 C LEU A 13 -5.721 -8.395 3.727 1.00 0.45 C ATOM 152 O LEU A 13 -5.742 -9.625 3.747 1.00 0.68 O ATOM 153 CB LEU A 13 -6.641 -7.699 5.948 1.00 0.56 C ATOM 154 CG LEU A 13 -7.616 -6.857 6.771 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.517 -7.217 8.245 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.341 -5.376 6.563 1.00 0.79 C ATOM 0 H LEU A 13 -8.610 -8.608 4.720 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.691 -6.538 4.134 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.760 -8.745 6.231 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.623 -7.411 6.212 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.630 -7.071 6.433 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.218 -6.608 8.816 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.759 -8.271 8.379 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.503 -7.030 8.598 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.043 -4.789 7.155 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.322 -5.148 6.876 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.460 -5.128 5.508 1.00 0.79 H new ATOM 168 N TYR A 14 -4.774 -7.693 3.110 1.00 0.36 N ATOM 169 CA TYR A 14 -3.674 -8.337 2.399 1.00 0.50 C ATOM 170 C TYR A 14 -2.338 -8.040 3.072 1.00 0.31 C ATOM 171 O TYR A 14 -2.036 -6.891 3.396 1.00 0.37 O ATOM 172 CB TYR A 14 -3.636 -7.872 0.943 1.00 0.80 C ATOM 173 CG TYR A 14 -4.664 -8.544 0.063 1.00 0.68 C ATOM 174 CD1 TYR A 14 -5.977 -8.089 0.019 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.319 -9.632 -0.728 1.00 1.20 C ATOM 176 CE1 TYR A 14 -6.915 -8.703 -0.788 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.252 -10.249 -1.538 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.548 -9.782 -1.564 1.00 1.98 C ATOM 179 OH TYR A 14 -7.480 -10.395 -2.370 1.00 2.73 O ATOM 0 H TYR A 14 -4.747 -6.674 3.088 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.843 -9.414 2.426 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.793 -6.794 0.911 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.643 -8.062 0.536 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.268 -7.243 0.625 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.304 -10.002 -0.709 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -7.932 -8.339 -0.811 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -4.967 -11.093 -2.148 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.059 -11.137 -2.851 1.00 2.73 H new ATOM 189 N SER A 15 -1.540 -9.084 3.274 1.00 0.43 N ATOM 190 CA SER A 15 -0.235 -8.939 3.908 1.00 0.38 C ATOM 191 C SER A 15 0.868 -9.508 3.021 1.00 0.33 C ATOM 192 O SER A 15 0.782 -10.646 2.560 1.00 0.41 O ATOM 193 CB SER A 15 -0.224 -9.642 5.266 1.00 0.59 C ATOM 194 OG SER A 15 -0.473 -11.029 5.125 1.00 1.19 O ATOM 0 H SER A 15 -1.775 -10.040 3.007 1.00 0.43 H new ATOM 0 HA SER A 15 -0.047 -7.875 4.054 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.741 -9.490 5.750 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.979 -9.198 5.915 1.00 0.59 H new ATOM 0 HG SER A 15 -0.146 -11.333 4.253 1.00 1.19 H new ATOM 200 N VAL A 16 1.902 -8.707 2.787 1.00 0.32 N ATOM 201 CA VAL A 16 3.025 -9.127 1.956 1.00 0.33 C ATOM 202 C VAL A 16 4.355 -8.798 2.630 1.00 0.31 C ATOM 203 O VAL A 16 4.455 -7.824 3.374 1.00 0.44 O ATOM 204 CB VAL A 16 2.981 -8.449 0.573 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.050 -9.023 -0.344 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.600 -8.595 -0.050 1.00 0.56 C ATOM 0 H VAL A 16 1.986 -7.762 3.162 1.00 0.32 H new ATOM 0 HA VAL A 16 2.942 -10.206 1.826 1.00 0.33 H new ATOM 0 HB VAL A 16 3.186 -7.387 0.706 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.000 -8.529 -1.315 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.033 -8.859 0.096 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.884 -10.093 -0.472 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.588 -8.110 -1.026 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.364 -9.653 -0.167 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.858 -8.127 0.597 1.00 0.56 H new ATOM 216 N GLU A 17 5.373 -9.613 2.365 1.00 0.33 N ATOM 217 CA GLU A 17 6.694 -9.398 2.949 1.00 0.34 C ATOM 218 C GLU A 17 7.702 -8.982 1.882 1.00 0.32 C ATOM 219 O GLU A 17 7.938 -9.711 0.918 1.00 0.38 O ATOM 220 CB GLU A 17 7.174 -10.665 3.659 1.00 0.45 C ATOM 221 CG GLU A 17 6.263 -11.110 4.790 1.00 0.71 C ATOM 222 CD GLU A 17 6.742 -12.386 5.456 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.405 -13.480 4.956 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.455 -12.290 6.477 1.00 1.74 O ATOM 0 H GLU A 17 5.309 -10.426 1.752 1.00 0.33 H new ATOM 0 HA GLU A 17 6.614 -8.591 3.678 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.255 -11.471 2.930 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.174 -10.492 4.056 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.201 -10.317 5.535 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.256 -11.263 4.402 1.00 0.71 H new ATOM 231 N LEU A 18 8.292 -7.804 2.064 1.00 0.31 N ATOM 232 CA LEU A 18 9.275 -7.282 1.121 1.00 0.34 C ATOM 233 C LEU A 18 10.613 -7.024 1.808 1.00 0.38 C ATOM 234 O LEU A 18 10.703 -7.016 3.035 1.00 0.68 O ATOM 235 CB LEU A 18 8.762 -5.988 0.482 1.00 0.40 C ATOM 236 CG LEU A 18 8.142 -6.145 -0.910 1.00 0.46 C ATOM 237 CD1 LEU A 18 9.183 -6.638 -1.904 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.951 -7.091 -0.865 1.00 0.71 C ATOM 0 H LEU A 18 8.105 -7.192 2.858 1.00 0.31 H new ATOM 0 HA LEU A 18 9.426 -8.032 0.344 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.019 -5.545 1.145 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.590 -5.282 0.415 1.00 0.40 H new ATOM 0 HG LEU A 18 7.787 -5.169 -1.240 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.725 -6.744 -2.888 1.00 0.81 H new ATOM 0 HD12 LEU A 18 10.001 -5.920 -1.960 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.569 -7.604 -1.578 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.526 -7.188 -1.864 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.277 -8.070 -0.512 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.196 -6.694 -0.186 1.00 0.71 H new ATOM 250 N PHE A 19 11.650 -6.817 1.004 1.00 0.41 N ATOM 251 CA PHE A 19 12.985 -6.556 1.528 1.00 0.43 C ATOM 252 C PHE A 19 13.760 -5.627 0.599 1.00 0.49 C ATOM 253 O PHE A 19 13.833 -5.863 -0.607 1.00 0.59 O ATOM 254 CB PHE A 19 13.749 -7.870 1.716 1.00 0.48 C ATOM 255 CG PHE A 19 13.801 -8.726 0.480 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.759 -9.587 0.172 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.892 -8.669 -0.375 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.803 -10.374 -0.963 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.942 -9.454 -1.511 1.00 2.08 C ATOM 260 CZ PHE A 19 13.896 -10.307 -1.806 1.00 1.94 C ATOM 0 H PHE A 19 11.591 -6.825 -0.014 1.00 0.41 H new ATOM 0 HA PHE A 19 12.881 -6.066 2.496 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.767 -7.645 2.033 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.283 -8.438 2.521 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.902 -9.643 0.827 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.712 -8.003 -0.150 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.984 -11.041 -1.191 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.798 -9.401 -2.168 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.932 -10.921 -2.694 1.00 1.94 H new ATOM 270 N ARG A 20 14.330 -4.564 1.162 1.00 0.52 N ATOM 271 CA ARG A 20 15.097 -3.611 0.363 1.00 0.66 C ATOM 272 C ARG A 20 16.588 -3.725 0.659 1.00 0.68 C ATOM 273 O ARG A 20 17.035 -3.449 1.772 1.00 0.83 O ATOM 274 CB ARG A 20 14.613 -2.182 0.621 1.00 0.73 C ATOM 275 CG ARG A 20 14.877 -1.231 -0.538 1.00 0.99 C ATOM 276 CD ARG A 20 16.300 -0.698 -0.525 1.00 1.19 C ATOM 277 NE ARG A 20 16.491 0.319 0.504 1.00 1.60 N ATOM 278 CZ ARG A 20 17.601 1.041 0.631 1.00 2.26 C ATOM 279 NH1 ARG A 20 18.615 0.858 -0.204 1.00 2.52 N ATOM 280 NH2 ARG A 20 17.696 1.948 1.593 1.00 3.06 N ATOM 0 H ARG A 20 14.277 -4.342 2.156 1.00 0.52 H new ATOM 0 HA ARG A 20 14.939 -3.850 -0.689 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.543 -2.201 0.828 1.00 0.73 H new ATOM 0 HB3 ARG A 20 15.103 -1.797 1.515 1.00 0.73 H new ATOM 0 HG2 ARG A 20 14.692 -1.747 -1.480 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.177 -0.397 -0.489 1.00 0.99 H new ATOM 0 HD2 ARG A 20 16.994 -1.521 -0.355 1.00 1.19 H new ATOM 0 HD3 ARG A 20 16.538 -0.276 -1.501 1.00 1.19 H new ATOM 0 HE ARG A 20 15.730 0.486 1.163 1.00 1.60 H new ATOM 0 HH11 ARG A 20 18.545 0.162 -0.946 1.00 2.52 H new ATOM 0 HH12 ARG A 20 19.465 1.413 -0.104 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.918 2.093 2.236 1.00 3.06 H new ATOM 0 HH22 ARG A 20 18.547 2.501 1.690 1.00 3.06 H new ATOM 294 N GLU A 21 17.355 -4.134 -0.348 1.00 0.82 N ATOM 295 CA GLU A 21 18.798 -4.283 -0.203 1.00 0.93 C ATOM 296 C GLU A 21 19.507 -4.053 -1.536 1.00 1.16 C ATOM 297 O GLU A 21 20.686 -4.373 -1.687 1.00 1.57 O ATOM 298 CB GLU A 21 19.144 -5.672 0.341 1.00 1.09 C ATOM 299 CG GLU A 21 18.653 -6.814 -0.536 1.00 1.62 C ATOM 300 CD GLU A 21 19.030 -8.175 0.019 1.00 2.00 C ATOM 301 OE1 GLU A 21 18.265 -8.711 0.846 1.00 2.58 O ATOM 302 OE2 GLU A 21 20.091 -8.702 -0.376 1.00 2.21 O ATOM 0 H GLU A 21 16.999 -4.368 -1.275 1.00 0.82 H new ATOM 0 HA GLU A 21 19.143 -3.531 0.507 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.226 -5.750 0.451 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.714 -5.780 1.337 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.569 -6.753 -0.634 1.00 1.62 H new ATOM 0 HG3 GLU A 21 19.070 -6.705 -1.537 1.00 1.62 H new ATOM 309 N LYS A 22 18.779 -3.494 -2.500 1.00 1.11 N ATOM 310 CA LYS A 22 19.338 -3.218 -3.818 1.00 1.40 C ATOM 311 C LYS A 22 19.641 -1.731 -3.975 1.00 1.31 C ATOM 312 O LYS A 22 19.106 -0.899 -3.243 1.00 1.38 O ATOM 313 CB LYS A 22 18.368 -3.665 -4.913 1.00 1.65 C ATOM 314 CG LYS A 22 17.956 -5.125 -4.811 1.00 2.00 C ATOM 315 CD LYS A 22 19.141 -6.058 -5.009 1.00 2.54 C ATOM 316 CE LYS A 22 18.711 -7.516 -4.991 1.00 3.05 C ATOM 317 NZ LYS A 22 18.006 -7.874 -3.730 1.00 3.72 N ATOM 0 H LYS A 22 17.801 -3.224 -2.392 1.00 1.11 H new ATOM 0 HA LYS A 22 20.268 -3.778 -3.915 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.475 -3.042 -4.871 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.830 -3.495 -5.886 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.507 -5.309 -3.835 1.00 2.00 H new ATOM 0 HG3 LYS A 22 17.193 -5.341 -5.559 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.628 -5.833 -5.958 1.00 2.54 H new ATOM 0 HD3 LYS A 22 19.877 -5.885 -4.224 1.00 2.54 H new ATOM 0 HE2 LYS A 22 18.056 -7.711 -5.840 1.00 3.05 H new ATOM 0 HE3 LYS A 22 19.587 -8.154 -5.110 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.545 -8.607 -3.227 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 17.923 -7.031 -3.127 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 17.056 -8.235 -3.953 1.00 3.72 H new ATOM 331 N ASP A 23 20.500 -1.406 -4.935 1.00 1.46 N ATOM 332 CA ASP A 23 20.875 -0.020 -5.190 1.00 1.51 C ATOM 333 C ASP A 23 19.946 0.614 -6.220 1.00 1.31 C ATOM 334 O ASP A 23 20.392 1.089 -7.266 1.00 1.58 O ATOM 335 CB ASP A 23 22.324 0.056 -5.674 1.00 1.91 C ATOM 336 CG ASP A 23 23.303 -0.483 -4.649 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.716 0.289 -3.759 1.00 2.87 O ATOM 338 OD2 ASP A 23 23.658 -1.677 -4.739 1.00 2.58 O ATOM 0 H ASP A 23 20.950 -2.084 -5.550 1.00 1.46 H new ATOM 0 HA ASP A 23 20.782 0.534 -4.256 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.425 -0.508 -6.601 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.574 1.092 -5.902 1.00 1.91 H new ATOM 343 N THR A 24 18.651 0.617 -5.919 1.00 1.02 N ATOM 344 CA THR A 24 17.658 1.194 -6.817 1.00 0.98 C ATOM 345 C THR A 24 16.921 2.352 -6.150 1.00 1.01 C ATOM 346 O THR A 24 16.182 3.088 -6.803 1.00 1.16 O ATOM 347 CB THR A 24 16.630 0.139 -7.269 1.00 1.17 C ATOM 348 OG1 THR A 24 15.817 -0.259 -6.159 1.00 1.38 O ATOM 349 CG2 THR A 24 17.325 -1.079 -7.854 1.00 1.19 C ATOM 0 H THR A 24 18.265 0.226 -5.060 1.00 1.02 H new ATOM 0 HA THR A 24 18.197 1.564 -7.690 1.00 0.98 H new ATOM 0 HB THR A 24 16.001 0.584 -8.040 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.912 0.101 -6.270 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.578 -1.809 -8.166 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.921 -0.779 -8.716 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.975 -1.524 -7.101 1.00 1.19 H new ATOM 357 N SER A 25 17.133 2.497 -4.842 1.00 1.05 N ATOM 358 CA SER A 25 16.504 3.559 -4.058 1.00 1.35 C ATOM 359 C SER A 25 14.999 3.618 -4.306 1.00 1.17 C ATOM 360 O SER A 25 14.378 4.671 -4.153 1.00 1.39 O ATOM 361 CB SER A 25 17.143 4.913 -4.380 1.00 1.79 C ATOM 362 OG SER A 25 16.885 5.299 -5.718 1.00 2.45 O ATOM 0 H SER A 25 17.742 1.885 -4.299 1.00 1.05 H new ATOM 0 HA SER A 25 16.665 3.331 -3.004 1.00 1.35 H new ATOM 0 HB2 SER A 25 16.756 5.671 -3.699 1.00 1.79 H new ATOM 0 HB3 SER A 25 18.219 4.858 -4.216 1.00 1.79 H new ATOM 0 HG SER A 25 16.265 4.661 -6.129 1.00 2.45 H new ATOM 368 N SER A 26 14.416 2.481 -4.678 1.00 0.84 N ATOM 369 CA SER A 26 12.983 2.410 -4.947 1.00 0.72 C ATOM 370 C SER A 26 12.446 1.003 -4.693 1.00 0.58 C ATOM 371 O SER A 26 13.075 0.012 -5.062 1.00 0.69 O ATOM 372 CB SER A 26 12.695 2.820 -6.391 1.00 0.81 C ATOM 373 OG SER A 26 13.126 4.146 -6.642 1.00 1.40 O ATOM 0 H SER A 26 14.913 1.598 -4.800 1.00 0.84 H new ATOM 0 HA SER A 26 12.479 3.099 -4.269 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.199 2.136 -7.074 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.626 2.738 -6.589 1.00 0.81 H new ATOM 0 HG SER A 26 12.932 4.383 -7.573 1.00 1.40 H new ATOM 379 N LEU A 27 11.279 0.928 -4.058 1.00 0.42 N ATOM 380 CA LEU A 27 10.652 -0.356 -3.758 1.00 0.32 C ATOM 381 C LEU A 27 9.708 -0.772 -4.880 1.00 0.29 C ATOM 382 O LEU A 27 9.572 -1.958 -5.182 1.00 0.41 O ATOM 383 CB LEU A 27 9.880 -0.283 -2.437 1.00 0.35 C ATOM 384 CG LEU A 27 10.743 -0.188 -1.178 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.873 0.081 0.041 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.542 -1.467 -0.985 1.00 0.43 C ATOM 0 H LEU A 27 10.749 1.740 -3.742 1.00 0.42 H new ATOM 0 HA LEU A 27 11.442 -1.101 -3.668 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.218 0.583 -2.470 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.246 -1.166 -2.357 1.00 0.35 H new ATOM 0 HG LEU A 27 11.440 0.641 -1.298 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.501 0.146 0.929 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.338 1.021 -0.094 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.156 -0.731 0.162 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.151 -1.383 -0.085 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.859 -2.311 -0.884 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.189 -1.625 -1.848 1.00 0.43 H new ATOM 398 N GLY A 28 9.056 0.211 -5.492 1.00 0.29 N ATOM 399 CA GLY A 28 8.129 -0.070 -6.572 1.00 0.31 C ATOM 400 C GLY A 28 6.767 0.555 -6.343 1.00 0.29 C ATOM 401 O GLY A 28 6.044 0.851 -7.295 1.00 0.52 O ATOM 0 H GLY A 28 9.154 1.199 -5.259 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.544 0.302 -7.509 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.017 -1.149 -6.679 1.00 0.31 H new ATOM 405 N ILE A 29 6.416 0.757 -5.075 1.00 0.35 N ATOM 406 CA ILE A 29 5.132 1.350 -4.721 1.00 0.32 C ATOM 407 C ILE A 29 5.033 2.784 -5.236 1.00 0.30 C ATOM 408 O ILE A 29 5.759 3.668 -4.782 1.00 0.35 O ATOM 409 CB ILE A 29 4.914 1.342 -3.194 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.033 -0.086 -2.652 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.555 1.937 -2.849 1.00 0.36 C ATOM 412 CD1 ILE A 29 4.997 -0.169 -1.140 1.00 0.84 C ATOM 0 H ILE A 29 7.004 0.518 -4.277 1.00 0.35 H new ATOM 0 HA ILE A 29 4.357 0.745 -5.192 1.00 0.32 H new ATOM 0 HB ILE A 29 5.684 1.955 -2.726 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.221 -0.688 -3.059 1.00 0.46 H new ATOM 0 HG13 ILE A 29 5.965 -0.524 -3.009 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.416 1.924 -1.768 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.506 2.965 -3.209 1.00 0.36 H new ATOM 0 HG23 ILE A 29 2.769 1.348 -3.323 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.086 -1.210 -0.831 1.00 0.84 H new ATOM 0 HD12 ILE A 29 5.825 0.405 -0.724 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.054 0.238 -0.776 1.00 0.84 H new ATOM 424 N SER A 30 4.127 3.005 -6.185 1.00 0.27 N ATOM 425 CA SER A 30 3.936 4.330 -6.765 1.00 0.29 C ATOM 426 C SER A 30 2.560 4.889 -6.411 1.00 0.28 C ATOM 427 O SER A 30 1.558 4.542 -7.038 1.00 0.35 O ATOM 428 CB SER A 30 4.100 4.273 -8.285 1.00 0.33 C ATOM 429 OG SER A 30 3.921 5.553 -8.867 1.00 0.95 O ATOM 0 H SER A 30 3.515 2.284 -6.568 1.00 0.27 H new ATOM 0 HA SER A 30 4.695 4.993 -6.348 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.091 3.893 -8.533 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.377 3.575 -8.706 1.00 0.33 H new ATOM 0 HG SER A 30 3.357 5.474 -9.665 1.00 0.95 H new ATOM 435 N ILE A 31 2.523 5.756 -5.404 1.00 0.25 N ATOM 436 CA ILE A 31 1.276 6.369 -4.962 1.00 0.27 C ATOM 437 C ILE A 31 1.088 7.745 -5.592 1.00 0.31 C ATOM 438 O ILE A 31 2.049 8.370 -6.040 1.00 0.41 O ATOM 439 CB ILE A 31 1.231 6.505 -3.427 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.470 7.247 -2.923 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.124 5.132 -2.780 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.398 7.630 -1.460 1.00 0.39 C ATOM 0 H ILE A 31 3.345 6.050 -4.877 1.00 0.25 H new ATOM 0 HA ILE A 31 0.467 5.713 -5.284 1.00 0.27 H new ATOM 0 HB ILE A 31 0.350 7.084 -3.151 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.348 6.620 -3.082 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.610 8.149 -3.519 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.093 5.242 -1.696 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.213 4.639 -3.121 1.00 0.35 H new ATOM 0 HG23 ILE A 31 1.989 4.530 -3.059 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.311 8.152 -1.175 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.541 8.283 -1.297 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.290 6.731 -0.853 1.00 0.39 H new ATOM 454 N SER A 32 -0.157 8.213 -5.622 1.00 0.37 N ATOM 455 CA SER A 32 -0.473 9.515 -6.199 1.00 0.44 C ATOM 456 C SER A 32 -0.997 10.472 -5.132 1.00 0.55 C ATOM 457 O SER A 32 -1.665 10.057 -4.185 1.00 0.59 O ATOM 458 CB SER A 32 -1.510 9.362 -7.314 1.00 0.48 C ATOM 459 OG SER A 32 -1.830 10.618 -7.889 1.00 1.32 O ATOM 0 H SER A 32 -0.963 7.709 -5.253 1.00 0.37 H new ATOM 0 HA SER A 32 0.444 9.931 -6.616 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.125 8.694 -8.084 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.413 8.901 -6.914 1.00 0.48 H new ATOM 0 HG SER A 32 -2.493 10.493 -8.600 1.00 1.32 H new ATOM 465 N GLY A 33 -0.685 11.755 -5.294 1.00 0.70 N ATOM 466 CA GLY A 33 -1.131 12.757 -4.342 1.00 0.87 C ATOM 467 C GLY A 33 -2.640 12.856 -4.271 1.00 0.88 C ATOM 468 O GLY A 33 -3.338 12.475 -5.211 1.00 0.95 O ATOM 0 H GLY A 33 -0.130 12.119 -6.069 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -0.739 12.515 -3.354 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -0.719 13.727 -4.620 1.00 0.87 H new ATOM 634 N ILE A 46 -3.916 7.891 1.296 1.00 0.46 N ATOM 635 CA ILE A 46 -2.897 7.393 0.380 1.00 0.39 C ATOM 636 C ILE A 46 -3.329 6.076 -0.256 1.00 0.39 C ATOM 637 O ILE A 46 -3.878 5.201 0.416 1.00 0.57 O ATOM 638 CB ILE A 46 -1.545 7.195 1.098 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.006 8.538 1.602 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.538 6.520 0.177 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.737 9.545 0.501 1.00 0.55 C ATOM 0 HA ILE A 46 -2.774 8.144 -0.401 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.704 6.544 1.958 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.722 8.965 2.304 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.083 8.363 2.155 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.407 6.391 0.704 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.920 5.546 -0.128 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.380 7.140 -0.705 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.358 10.469 0.938 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.003 9.140 -0.190 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.662 9.751 -0.038 1.00 0.55 H new ATOM 653 N TYR A 47 -3.074 5.941 -1.554 1.00 0.30 N ATOM 654 CA TYR A 47 -3.440 4.732 -2.284 1.00 0.30 C ATOM 655 C TYR A 47 -2.493 4.490 -3.457 1.00 0.26 C ATOM 656 O TYR A 47 -2.040 5.433 -4.107 1.00 0.29 O ATOM 657 CB TYR A 47 -4.881 4.839 -2.791 1.00 0.36 C ATOM 658 CG TYR A 47 -5.132 6.052 -3.660 1.00 0.40 C ATOM 659 CD1 TYR A 47 -4.944 5.997 -5.036 1.00 0.48 C ATOM 660 CD2 TYR A 47 -5.558 7.252 -3.104 1.00 0.43 C ATOM 661 CE1 TYR A 47 -5.172 7.103 -5.833 1.00 0.57 C ATOM 662 CE2 TYR A 47 -5.789 8.362 -3.895 1.00 0.51 C ATOM 663 CZ TYR A 47 -5.596 8.283 -5.258 1.00 0.58 C ATOM 664 OH TYR A 47 -5.823 9.386 -6.048 1.00 0.70 O ATOM 0 H TYR A 47 -2.616 6.654 -2.122 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.360 3.887 -1.600 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.125 3.940 -3.358 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.556 4.870 -1.936 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -4.614 5.074 -5.490 1.00 0.48 H new ATOM 0 HD2 TYR A 47 -5.711 7.319 -2.037 1.00 0.43 H new ATOM 0 HE1 TYR A 47 -5.019 7.044 -6.900 1.00 0.57 H new ATOM 0 HE2 TYR A 47 -6.119 9.288 -3.447 1.00 0.51 H new ATOM 0 HH TYR A 47 -6.118 10.134 -5.488 1.00 0.70 H new ATOM 674 N VAL A 48 -2.193 3.220 -3.718 1.00 0.26 N ATOM 675 CA VAL A 48 -1.308 2.850 -4.817 1.00 0.25 C ATOM 676 C VAL A 48 -2.037 2.944 -6.153 1.00 0.28 C ATOM 677 O VAL A 48 -3.171 2.482 -6.286 1.00 0.39 O ATOM 678 CB VAL A 48 -0.757 1.421 -4.642 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.053 0.999 -5.860 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.087 1.329 -3.381 1.00 0.29 C ATOM 0 H VAL A 48 -2.551 2.429 -3.182 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.474 3.552 -4.806 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.602 0.739 -4.545 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.431 -0.013 -5.713 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.582 1.024 -6.746 1.00 0.29 H new ATOM 0 HG13 VAL A 48 0.891 1.683 -5.995 1.00 0.29 H new ATOM 0 HG21 VAL A 48 0.469 0.314 -3.272 1.00 0.29 H new ATOM 0 HG22 VAL A 48 0.923 2.025 -3.451 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.524 1.582 -2.515 1.00 0.29 H new ATOM 690 N LYS A 49 -1.372 3.539 -7.139 1.00 0.31 N ATOM 691 CA LYS A 49 -1.954 3.703 -8.465 1.00 0.38 C ATOM 692 C LYS A 49 -1.206 2.870 -9.502 1.00 0.32 C ATOM 693 O LYS A 49 -1.797 2.397 -10.473 1.00 0.37 O ATOM 694 CB LYS A 49 -1.936 5.179 -8.869 1.00 0.49 C ATOM 695 CG LYS A 49 -2.568 5.449 -10.225 1.00 0.61 C ATOM 696 CD LYS A 49 -2.623 6.938 -10.533 1.00 0.84 C ATOM 697 CE LYS A 49 -1.231 7.530 -10.698 1.00 1.65 C ATOM 698 NZ LYS A 49 -1.280 8.990 -10.982 1.00 2.40 N ATOM 0 H LYS A 49 -0.429 3.916 -7.043 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.985 3.353 -8.426 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.461 5.760 -8.111 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -0.904 5.530 -8.882 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -1.998 4.938 -11.001 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.576 5.036 -10.246 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -3.198 7.100 -11.445 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.146 7.457 -9.730 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -0.652 7.356 -9.791 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -0.713 7.019 -11.510 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -0.312 9.356 -11.088 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -1.811 9.155 -11.861 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -1.752 9.481 -10.196 1.00 2.40 H new ATOM 712 N SER A 50 0.095 2.693 -9.294 1.00 0.28 N ATOM 713 CA SER A 50 0.913 1.916 -10.221 1.00 0.35 C ATOM 714 C SER A 50 2.127 1.311 -9.520 1.00 0.28 C ATOM 715 O SER A 50 2.354 1.544 -8.332 1.00 0.25 O ATOM 716 CB SER A 50 1.369 2.796 -11.387 1.00 0.49 C ATOM 717 OG SER A 50 2.138 3.894 -10.928 1.00 1.28 O ATOM 0 H SER A 50 0.604 3.074 -8.497 1.00 0.28 H new ATOM 0 HA SER A 50 0.301 1.099 -10.603 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.958 2.202 -12.086 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.499 3.161 -11.933 1.00 0.49 H new ATOM 0 HG SER A 50 2.418 4.439 -11.692 1.00 1.28 H new ATOM 723 N LEU A 51 2.901 0.534 -10.272 1.00 0.32 N ATOM 724 CA LEU A 51 4.095 -0.113 -9.741 1.00 0.27 C ATOM 725 C LEU A 51 5.274 0.060 -10.692 1.00 0.27 C ATOM 726 O LEU A 51 5.094 0.145 -11.907 1.00 0.42 O ATOM 727 CB LEU A 51 3.833 -1.604 -9.509 1.00 0.30 C ATOM 728 CG LEU A 51 2.802 -1.926 -8.426 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.493 -3.415 -8.414 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.301 -1.475 -7.060 1.00 0.32 C ATOM 0 H LEU A 51 2.721 0.337 -11.256 1.00 0.32 H new ATOM 0 HA LEU A 51 4.341 0.360 -8.790 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.501 -2.048 -10.447 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.775 -2.085 -9.245 1.00 0.30 H new ATOM 0 HG LEU A 51 1.884 -1.383 -8.652 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.758 -3.628 -7.638 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.093 -3.711 -9.384 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.406 -3.975 -8.212 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.554 -1.713 -6.303 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.232 -1.990 -6.825 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.475 -0.399 -7.073 1.00 0.32 H new ATOM 742 N ILE A 52 6.479 0.109 -10.133 1.00 0.24 N ATOM 743 CA ILE A 52 7.687 0.272 -10.934 1.00 0.24 C ATOM 744 C ILE A 52 8.133 -1.061 -11.536 1.00 0.23 C ATOM 745 O ILE A 52 8.397 -2.016 -10.807 1.00 0.28 O ATOM 746 CB ILE A 52 8.839 0.859 -10.100 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.419 2.203 -9.502 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.089 1.013 -10.960 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.498 2.865 -8.675 1.00 1.26 C ATOM 0 H ILE A 52 6.645 0.038 -9.129 1.00 0.24 H new ATOM 0 HA ILE A 52 7.442 0.966 -11.738 1.00 0.24 H new ATOM 0 HB ILE A 52 9.072 0.176 -9.283 1.00 0.27 H new ATOM 0 HG12 ILE A 52 8.129 2.875 -10.310 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.537 2.054 -8.879 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.896 1.429 -10.357 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.389 0.038 -11.344 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.877 1.682 -11.794 1.00 0.31 H new ATOM 0 HD11 ILE A 52 9.127 3.813 -8.284 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.772 2.213 -7.846 1.00 1.26 H new ATOM 0 HD13 ILE A 52 10.374 3.047 -9.298 1.00 1.26 H new ATOM 761 N PRO A 53 8.228 -1.149 -12.879 1.00 0.31 N ATOM 762 CA PRO A 53 8.650 -2.378 -13.559 1.00 0.35 C ATOM 763 C PRO A 53 10.128 -2.681 -13.340 1.00 0.34 C ATOM 764 O PRO A 53 10.996 -1.936 -13.792 1.00 0.46 O ATOM 765 CB PRO A 53 8.380 -2.079 -15.035 1.00 0.43 C ATOM 766 CG PRO A 53 8.471 -0.597 -15.136 1.00 0.82 C ATOM 767 CD PRO A 53 7.932 -0.065 -13.839 1.00 0.47 C ATOM 0 HA PRO A 53 8.120 -3.254 -13.184 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.112 -2.567 -15.679 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.397 -2.438 -15.340 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.502 -0.278 -15.291 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.892 -0.226 -15.982 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.417 0.868 -13.554 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.863 0.137 -13.900 1.00 0.47 H new ATOM 775 N GLY A 54 10.406 -3.778 -12.642 1.00 0.39 N ATOM 776 CA GLY A 54 11.782 -4.159 -12.380 1.00 0.41 C ATOM 777 C GLY A 54 12.197 -3.899 -10.944 1.00 0.39 C ATOM 778 O GLY A 54 13.387 -3.876 -10.632 1.00 0.49 O ATOM 0 H GLY A 54 9.705 -4.409 -12.254 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.911 -5.218 -12.605 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.442 -3.608 -13.050 1.00 0.41 H new ATOM 782 N SER A 55 11.215 -3.699 -10.070 1.00 0.35 N ATOM 783 CA SER A 55 11.489 -3.442 -8.661 1.00 0.35 C ATOM 784 C SER A 55 11.118 -4.648 -7.806 1.00 0.32 C ATOM 785 O SER A 55 10.593 -5.640 -8.312 1.00 0.36 O ATOM 786 CB SER A 55 10.718 -2.209 -8.182 1.00 0.37 C ATOM 787 OG SER A 55 9.322 -2.379 -8.355 1.00 1.23 O ATOM 0 H SER A 55 10.224 -3.710 -10.313 1.00 0.35 H new ATOM 0 HA SER A 55 12.558 -3.257 -8.555 1.00 0.35 H new ATOM 0 HB2 SER A 55 10.937 -2.026 -7.130 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.051 -1.331 -8.735 1.00 0.37 H new ATOM 0 HG SER A 55 9.085 -2.206 -9.290 1.00 1.23 H new ATOM 793 N ALA A 56 11.392 -4.558 -6.510 1.00 0.35 N ATOM 794 CA ALA A 56 11.087 -5.646 -5.589 1.00 0.36 C ATOM 795 C ALA A 56 9.585 -5.898 -5.511 1.00 0.32 C ATOM 796 O ALA A 56 9.117 -7.005 -5.781 1.00 0.34 O ATOM 797 CB ALA A 56 11.647 -5.337 -4.208 1.00 0.42 C ATOM 0 H ALA A 56 11.824 -3.744 -6.074 1.00 0.35 H new ATOM 0 HA ALA A 56 11.559 -6.553 -5.967 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.413 -6.157 -3.529 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.728 -5.217 -4.272 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.201 -4.416 -3.832 1.00 0.42 H new ATOM 803 N ALA A 57 8.835 -4.861 -5.144 1.00 0.30 N ATOM 804 CA ALA A 57 7.382 -4.958 -5.024 1.00 0.30 C ATOM 805 C ALA A 57 6.753 -5.554 -6.281 1.00 0.30 C ATOM 806 O ALA A 57 5.707 -6.202 -6.215 1.00 0.35 O ATOM 807 CB ALA A 57 6.790 -3.586 -4.744 1.00 0.32 C ATOM 0 H ALA A 57 9.212 -3.939 -4.924 1.00 0.30 H new ATOM 0 HA ALA A 57 7.159 -5.626 -4.192 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.707 -3.668 -4.656 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.201 -3.196 -3.813 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.037 -2.909 -5.562 1.00 0.32 H new ATOM 813 N ALA A 58 7.394 -5.331 -7.422 1.00 0.31 N ATOM 814 CA ALA A 58 6.894 -5.840 -8.695 1.00 0.33 C ATOM 815 C ALA A 58 7.196 -7.327 -8.859 1.00 0.34 C ATOM 816 O ALA A 58 6.360 -8.089 -9.346 1.00 0.44 O ATOM 817 CB ALA A 58 7.490 -5.047 -9.848 1.00 0.37 C ATOM 0 H ALA A 58 8.262 -4.800 -7.493 1.00 0.31 H new ATOM 0 HA ALA A 58 5.811 -5.719 -8.703 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.109 -5.436 -10.792 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.212 -3.998 -9.750 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.576 -5.138 -9.829 1.00 0.37 H new ATOM 823 N LEU A 59 8.396 -7.733 -8.454 1.00 0.35 N ATOM 824 CA LEU A 59 8.809 -9.129 -8.562 1.00 0.39 C ATOM 825 C LEU A 59 7.909 -10.038 -7.732 1.00 0.42 C ATOM 826 O LEU A 59 7.617 -11.167 -8.127 1.00 0.57 O ATOM 827 CB LEU A 59 10.264 -9.289 -8.116 1.00 0.47 C ATOM 828 CG LEU A 59 11.304 -8.652 -9.042 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.686 -8.706 -8.409 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.313 -9.351 -10.394 1.00 0.61 C ATOM 0 H LEU A 59 9.099 -7.116 -8.048 1.00 0.35 H new ATOM 0 HA LEU A 59 8.720 -9.423 -9.608 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.372 -8.855 -7.122 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.485 -10.353 -8.026 1.00 0.47 H new ATOM 0 HG LEU A 59 11.034 -7.607 -9.194 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.412 -8.249 -9.081 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.675 -8.163 -7.464 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.963 -9.745 -8.228 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.058 -8.885 -11.039 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.559 -10.404 -10.257 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.329 -9.265 -10.855 1.00 0.61 H new ATOM 842 N ASP A 60 7.471 -9.540 -6.580 1.00 0.44 N ATOM 843 CA ASP A 60 6.604 -10.310 -5.695 1.00 0.52 C ATOM 844 C ASP A 60 5.284 -10.650 -6.379 1.00 0.61 C ATOM 845 O ASP A 60 4.832 -11.794 -6.342 1.00 0.79 O ATOM 846 CB ASP A 60 6.338 -9.535 -4.404 1.00 0.74 C ATOM 847 CG ASP A 60 7.566 -9.446 -3.520 1.00 1.08 C ATOM 848 OD1 ASP A 60 8.557 -8.818 -3.942 1.00 1.32 O ATOM 849 OD2 ASP A 60 7.533 -10.006 -2.403 1.00 1.86 O ATOM 0 H ASP A 60 7.702 -8.607 -6.238 1.00 0.44 H new ATOM 0 HA ASP A 60 7.115 -11.242 -5.453 1.00 0.52 H new ATOM 0 HB2 ASP A 60 5.998 -8.529 -4.651 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.531 -10.018 -3.853 1.00 0.74 H new ATOM 854 N GLY A 61 4.672 -9.648 -7.003 1.00 0.72 N ATOM 855 CA GLY A 61 3.410 -9.860 -7.688 1.00 1.06 C ATOM 856 C GLY A 61 2.225 -9.823 -6.744 1.00 0.83 C ATOM 857 O GLY A 61 1.090 -9.604 -7.171 1.00 0.94 O ATOM 0 H GLY A 61 5.028 -8.693 -7.046 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.284 -9.096 -8.455 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.434 -10.823 -8.198 1.00 1.06 H new ATOM 861 N ARG A 62 2.487 -10.035 -5.458 1.00 0.63 N ATOM 862 CA ARG A 62 1.435 -10.026 -4.447 1.00 0.59 C ATOM 863 C ARG A 62 0.765 -8.659 -4.372 1.00 0.52 C ATOM 864 O ARG A 62 -0.370 -8.537 -3.910 1.00 0.69 O ATOM 865 CB ARG A 62 2.010 -10.399 -3.079 1.00 0.67 C ATOM 866 CG ARG A 62 2.735 -11.736 -3.063 1.00 0.81 C ATOM 867 CD ARG A 62 1.773 -12.896 -3.265 1.00 1.05 C ATOM 868 NE ARG A 62 0.745 -12.939 -2.228 1.00 1.31 N ATOM 869 CZ ARG A 62 0.175 -14.063 -1.800 1.00 1.93 C ATOM 870 NH1 ARG A 62 0.542 -15.232 -2.309 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.758 -14.017 -0.858 1.00 2.59 N ATOM 0 H ARG A 62 3.421 -10.216 -5.091 1.00 0.63 H new ATOM 0 HA ARG A 62 0.685 -10.764 -4.733 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.700 -9.618 -2.760 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.200 -10.426 -2.350 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.492 -11.750 -3.847 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.257 -11.856 -2.114 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.299 -12.808 -4.243 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.329 -13.833 -3.264 1.00 1.05 H new ATOM 0 HE ARG A 62 0.447 -12.058 -1.808 1.00 1.31 H new ATOM 0 HH11 ARG A 62 1.262 -15.271 -3.030 1.00 2.26 H new ATOM 0 HH12 ARG A 62 0.104 -16.092 -1.979 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.039 -13.120 -0.462 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -1.195 -14.879 -0.530 1.00 2.59 H new ATOM 885 N ILE A 63 1.477 -7.632 -4.828 1.00 0.48 N ATOM 886 CA ILE A 63 0.951 -6.273 -4.811 1.00 0.48 C ATOM 887 C ILE A 63 0.230 -5.952 -6.117 1.00 0.49 C ATOM 888 O ILE A 63 0.854 -5.841 -7.172 1.00 0.59 O ATOM 889 CB ILE A 63 2.070 -5.234 -4.579 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.728 -5.444 -3.212 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.513 -3.820 -4.685 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.735 -6.575 -3.184 1.00 0.92 C ATOM 0 H ILE A 63 2.418 -7.716 -5.213 1.00 0.48 H new ATOM 0 HA ILE A 63 0.244 -6.216 -3.983 1.00 0.48 H new ATOM 0 HB ILE A 63 2.828 -5.370 -5.351 1.00 0.58 H new ATOM 0 HG12 ILE A 63 3.224 -4.521 -2.913 1.00 0.66 H new ATOM 0 HG13 ILE A 63 1.952 -5.643 -2.473 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.314 -3.100 -4.519 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.090 -3.669 -5.678 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.736 -3.678 -3.934 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.157 -6.661 -2.183 1.00 0.92 H new ATOM 0 HD12 ILE A 63 3.241 -7.509 -3.451 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.533 -6.370 -3.898 1.00 0.92 H new ATOM 904 N GLU A 64 -1.089 -5.807 -6.035 1.00 0.51 N ATOM 905 CA GLU A 64 -1.902 -5.496 -7.205 1.00 0.58 C ATOM 906 C GLU A 64 -2.211 -3.999 -7.261 1.00 0.56 C ATOM 907 O GLU A 64 -2.578 -3.404 -6.249 1.00 0.66 O ATOM 908 CB GLU A 64 -3.204 -6.299 -7.170 1.00 0.79 C ATOM 909 CG GLU A 64 -4.133 -6.010 -8.339 1.00 1.09 C ATOM 910 CD GLU A 64 -5.427 -6.797 -8.265 1.00 1.39 C ATOM 911 OE1 GLU A 64 -6.365 -6.335 -7.582 1.00 1.98 O ATOM 912 OE2 GLU A 64 -5.501 -7.876 -8.891 1.00 1.67 O ATOM 0 H GLU A 64 -1.618 -5.900 -5.168 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.341 -5.769 -8.099 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.964 -7.362 -7.162 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.728 -6.084 -6.239 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -4.361 -4.944 -8.362 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.621 -6.247 -9.272 1.00 1.09 H new ATOM 919 N PRO A 65 -2.067 -3.367 -8.445 1.00 0.56 N ATOM 920 CA PRO A 65 -2.338 -1.933 -8.612 1.00 0.64 C ATOM 921 C PRO A 65 -3.725 -1.544 -8.109 1.00 0.72 C ATOM 922 O PRO A 65 -4.606 -2.393 -7.974 1.00 1.44 O ATOM 923 CB PRO A 65 -2.242 -1.723 -10.125 1.00 0.77 C ATOM 924 CG PRO A 65 -1.351 -2.816 -10.602 1.00 0.83 C ATOM 925 CD PRO A 65 -1.629 -3.993 -9.708 1.00 0.62 C ATOM 0 HA PRO A 65 -1.643 -1.319 -8.039 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.224 -1.778 -10.596 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.829 -0.743 -10.363 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.556 -3.060 -11.644 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.304 -2.520 -10.544 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.401 -4.640 -10.124 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.740 -4.608 -9.565 1.00 0.62 H new ATOM 933 N ASN A 66 -3.905 -0.254 -7.833 1.00 0.60 N ATOM 934 CA ASN A 66 -5.180 0.257 -7.338 1.00 0.59 C ATOM 935 C ASN A 66 -5.542 -0.387 -6.003 1.00 0.51 C ATOM 936 O ASN A 66 -6.304 -1.353 -5.953 1.00 0.73 O ATOM 937 CB ASN A 66 -6.294 0.010 -8.358 1.00 0.66 C ATOM 938 CG ASN A 66 -6.024 0.691 -9.687 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.413 1.839 -9.899 1.00 2.15 O ATOM 940 ND2 ASN A 66 -5.355 -0.018 -10.588 1.00 2.01 N ATOM 0 H ASN A 66 -3.182 0.457 -7.944 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.074 1.331 -7.188 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.405 -1.062 -8.518 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.240 0.371 -7.954 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -5.144 0.386 -11.500 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -5.052 -0.967 -10.368 1.00 2.01 H new ATOM 947 N ASP A 67 -4.988 0.155 -4.924 1.00 0.36 N ATOM 948 CA ASP A 67 -5.251 -0.362 -3.586 1.00 0.34 C ATOM 949 C ASP A 67 -5.004 0.714 -2.534 1.00 0.30 C ATOM 950 O ASP A 67 -4.476 1.783 -2.841 1.00 0.38 O ATOM 951 CB ASP A 67 -4.371 -1.580 -3.304 1.00 0.41 C ATOM 952 CG ASP A 67 -2.893 -1.251 -3.363 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.338 -0.821 -2.330 1.00 1.46 O ATOM 954 OD2 ASP A 67 -2.289 -1.425 -4.442 1.00 2.02 O ATOM 0 H ASP A 67 -4.353 0.953 -4.950 1.00 0.36 H new ATOM 0 HA ASP A 67 -6.298 -0.662 -3.537 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -4.613 -1.979 -2.319 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -4.595 -2.363 -4.029 1.00 0.41 H new ATOM 959 N LYS A 68 -5.389 0.428 -1.294 1.00 0.27 N ATOM 960 CA LYS A 68 -5.206 1.379 -0.204 1.00 0.28 C ATOM 961 C LYS A 68 -4.215 0.849 0.826 1.00 0.26 C ATOM 962 O LYS A 68 -4.375 -0.255 1.345 1.00 0.38 O ATOM 963 CB LYS A 68 -6.547 1.677 0.469 1.00 0.37 C ATOM 964 CG LYS A 68 -6.448 2.687 1.598 1.00 0.53 C ATOM 965 CD LYS A 68 -7.809 2.977 2.206 1.00 0.53 C ATOM 966 CE LYS A 68 -7.699 3.950 3.366 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.030 4.273 3.948 1.00 1.02 N ATOM 0 H LYS A 68 -5.828 -0.451 -1.020 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.803 2.300 -0.625 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.246 2.049 -0.280 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.963 0.748 0.859 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.777 2.308 2.369 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.011 3.612 1.223 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.470 3.390 1.444 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.261 2.047 2.550 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.059 3.523 4.138 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.219 4.868 3.026 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -8.911 4.940 4.737 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.633 4.704 3.218 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.477 3.401 4.296 1.00 1.02 H new ATOM 981 N ILE A 69 -3.191 1.646 1.118 1.00 0.24 N ATOM 982 CA ILE A 69 -2.176 1.261 2.091 1.00 0.21 C ATOM 983 C ILE A 69 -2.627 1.602 3.507 1.00 0.21 C ATOM 984 O ILE A 69 -3.187 2.673 3.748 1.00 0.29 O ATOM 985 CB ILE A 69 -0.830 1.960 1.812 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.401 1.749 0.355 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.239 1.447 2.766 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.249 0.293 -0.033 1.00 0.28 C ATOM 0 H ILE A 69 -3.043 2.562 0.694 1.00 0.24 H new ATOM 0 HA ILE A 69 -2.039 0.184 1.999 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.956 3.030 1.976 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.136 2.215 -0.301 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.547 2.261 0.187 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.184 1.949 2.558 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.062 1.652 3.793 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.362 0.372 2.631 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.056 0.225 -1.077 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.507 -0.175 0.597 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -1.201 -0.221 0.101 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.379 0.689 4.439 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.764 0.892 5.831 1.00 0.21 C ATOM 1002 C LEU A 70 -1.565 1.314 6.676 1.00 0.20 C ATOM 1003 O LEU A 70 -1.550 2.403 7.254 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.383 -0.385 6.404 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.637 -0.883 5.680 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.108 -2.201 6.277 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.745 0.157 5.751 1.00 0.38 C ATOM 0 H LEU A 70 -1.913 -0.200 4.256 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.504 1.692 5.861 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.632 -1.175 6.382 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.632 -0.211 7.451 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.385 -1.047 4.632 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.000 -2.541 5.751 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.321 -2.948 6.176 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.341 -2.060 7.332 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.628 -0.215 5.231 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.994 0.353 6.794 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.408 1.080 5.279 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.560 0.448 6.747 1.00 0.20 N ATOM 1020 CA ARG A 71 0.633 0.743 7.529 1.00 0.25 C ATOM 1021 C ARG A 71 1.829 -0.082 7.065 1.00 0.18 C ATOM 1022 O ARG A 71 1.707 -1.271 6.770 1.00 0.26 O ATOM 1023 CB ARG A 71 0.367 0.482 9.013 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.030 -0.951 9.319 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.116 -1.193 10.817 1.00 0.77 C ATOM 1026 NE ARG A 71 1.155 -0.923 11.486 1.00 1.38 N ATOM 1027 CZ ARG A 71 1.317 -0.967 12.806 1.00 1.65 C ATOM 1028 NH1 ARG A 71 0.294 -1.265 13.595 1.00 1.17 N ATOM 1029 NH2 ARG A 71 2.506 -0.710 13.336 1.00 2.61 N ATOM 0 H ARG A 71 -0.548 -0.457 6.276 1.00 0.20 H new ATOM 0 HA ARG A 71 0.873 1.796 7.381 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.262 0.731 9.583 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.424 1.150 9.354 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.993 -1.170 8.857 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.697 -1.634 8.879 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -0.893 -0.558 11.243 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.411 -2.226 11.002 1.00 0.77 H new ATOM 0 HE ARG A 71 1.963 -0.688 10.909 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -0.622 -1.462 13.191 1.00 1.17 H new ATOM 0 HH12 ARG A 71 0.423 -1.298 14.606 1.00 1.17 H new ATOM 0 HH21 ARG A 71 3.295 -0.479 12.732 1.00 2.61 H new ATOM 0 HH22 ARG A 71 2.631 -0.743 14.348 1.00 2.61 H new ATOM 1043 N VAL A 72 2.986 0.570 7.003 1.00 0.21 N ATOM 1044 CA VAL A 72 4.221 -0.084 6.593 1.00 0.17 C ATOM 1045 C VAL A 72 4.894 -0.734 7.801 1.00 0.17 C ATOM 1046 O VAL A 72 4.411 -0.606 8.925 1.00 0.20 O ATOM 1047 CB VAL A 72 5.192 0.924 5.937 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.252 0.210 5.110 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.427 1.921 5.079 1.00 0.28 C ATOM 0 H VAL A 72 3.092 1.558 7.234 1.00 0.21 H new ATOM 0 HA VAL A 72 3.971 -0.850 5.859 1.00 0.17 H new ATOM 0 HB VAL A 72 5.699 1.468 6.734 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.920 0.945 4.661 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.826 -0.457 5.753 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.770 -0.370 4.323 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.127 2.623 4.625 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.888 1.388 4.296 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.718 2.467 5.701 1.00 0.28 H new ATOM 1059 N ASP A 73 5.987 -1.449 7.563 1.00 0.18 N ATOM 1060 CA ASP A 73 6.722 -2.115 8.636 1.00 0.21 C ATOM 1061 C ASP A 73 7.010 -1.166 9.802 1.00 0.22 C ATOM 1062 O ASP A 73 7.813 -0.240 9.678 1.00 0.23 O ATOM 1063 CB ASP A 73 8.038 -2.675 8.095 1.00 0.26 C ATOM 1064 CG ASP A 73 8.710 -3.623 9.070 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.492 -3.146 9.918 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.455 -4.842 8.982 1.00 0.79 O ATOM 0 H ASP A 73 6.386 -1.584 6.634 1.00 0.18 H new ATOM 0 HA ASP A 73 6.098 -2.927 9.009 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.849 -3.197 7.157 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.715 -1.851 7.870 1.00 0.26 H new ATOM 1071 N ASP A 74 6.342 -1.406 10.931 1.00 0.25 N ATOM 1072 CA ASP A 74 6.526 -0.595 12.138 1.00 0.29 C ATOM 1073 C ASP A 74 6.162 0.872 11.903 1.00 0.25 C ATOM 1074 O ASP A 74 6.420 1.728 12.751 1.00 0.29 O ATOM 1075 CB ASP A 74 7.973 -0.706 12.634 1.00 0.35 C ATOM 1076 CG ASP A 74 8.178 -0.050 13.986 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.842 -0.681 15.010 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.676 1.094 14.020 1.00 2.01 O ATOM 0 H ASP A 74 5.664 -2.161 11.036 1.00 0.25 H new ATOM 0 HA ASP A 74 5.850 -0.983 12.900 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.251 -1.758 12.699 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.639 -0.244 11.905 1.00 0.35 H new ATOM 1083 N VAL A 75 5.558 1.158 10.758 1.00 0.27 N ATOM 1084 CA VAL A 75 5.159 2.521 10.423 1.00 0.27 C ATOM 1085 C VAL A 75 3.693 2.574 10.003 1.00 0.37 C ATOM 1086 O VAL A 75 3.201 1.672 9.330 1.00 0.79 O ATOM 1087 CB VAL A 75 6.032 3.101 9.293 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.613 4.526 8.966 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.504 3.048 9.675 1.00 0.41 C ATOM 0 H VAL A 75 5.333 0.465 10.044 1.00 0.27 H new ATOM 0 HA VAL A 75 5.298 3.124 11.320 1.00 0.27 H new ATOM 0 HB VAL A 75 5.887 2.491 8.401 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.242 4.916 8.166 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.571 4.534 8.645 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.725 5.151 9.852 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.105 3.462 8.865 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.666 3.631 10.582 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.797 2.013 9.852 1.00 0.41 H new ATOM 1099 N ASN A 76 3.002 3.633 10.409 1.00 0.30 N ATOM 1100 CA ASN A 76 1.592 3.803 10.071 1.00 0.37 C ATOM 1101 C ASN A 76 1.412 4.930 9.060 1.00 0.42 C ATOM 1102 O ASN A 76 1.920 6.035 9.254 1.00 0.58 O ATOM 1103 CB ASN A 76 0.777 4.097 11.333 1.00 0.46 C ATOM 1104 CG ASN A 76 0.858 2.976 12.352 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.855 2.257 12.427 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.195 2.822 13.147 1.00 2.08 N ATOM 0 H ASN A 76 3.394 4.387 10.973 1.00 0.30 H new ATOM 0 HA ASN A 76 1.233 2.876 9.624 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.135 5.022 11.786 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.265 4.260 11.059 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.198 2.086 13.853 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.001 3.440 13.051 1.00 2.08 H new ATOM 1113 N VAL A 77 0.684 4.649 7.980 1.00 0.35 N ATOM 1114 CA VAL A 77 0.452 5.647 6.941 1.00 0.43 C ATOM 1115 C VAL A 77 -1.011 6.076 6.901 1.00 0.53 C ATOM 1116 O VAL A 77 -1.516 6.504 5.863 1.00 0.67 O ATOM 1117 CB VAL A 77 0.864 5.121 5.553 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.347 4.789 5.525 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.035 3.904 5.173 1.00 0.53 C ATOM 0 H VAL A 77 0.248 3.744 7.804 1.00 0.35 H new ATOM 0 HA VAL A 77 1.070 6.510 7.191 1.00 0.43 H new ATOM 0 HB VAL A 77 0.675 5.905 4.820 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.618 4.419 4.536 1.00 0.45 H new ATOM 0 HG12 VAL A 77 2.925 5.686 5.748 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.563 4.024 6.271 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.341 3.548 4.189 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.189 3.115 5.909 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -1.020 4.176 5.148 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.685 5.964 8.040 1.00 0.59 N ATOM 1130 CA GLN A 78 -3.090 6.340 8.138 1.00 0.72 C ATOM 1131 C GLN A 78 -3.246 7.826 8.452 1.00 0.61 C ATOM 1132 O GLN A 78 -4.201 8.231 9.115 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.785 5.504 9.215 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.861 4.024 8.875 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.711 3.753 7.650 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.088 3.788 6.478 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.915 3.520 7.754 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.281 5.616 8.909 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.557 6.146 7.172 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.253 5.626 10.159 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.794 5.887 9.367 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.854 3.641 8.707 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.271 3.480 9.726 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.353 3.503 8.675 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.474 3.344 6.919 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.306 8.635 7.971 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.370 10.065 8.215 1.00 0.48 C ATOM 1148 C GLY A 79 -1.045 10.766 7.979 1.00 0.41 C ATOM 1149 O GLY A 79 -0.641 11.620 8.771 1.00 0.55 O ATOM 0 H GLY A 79 -1.505 8.328 7.419 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -3.128 10.505 7.567 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.689 10.239 9.243 1.00 0.48 H new ATOM 1153 N MET A 80 -0.366 10.410 6.892 1.00 0.32 N ATOM 1154 CA MET A 80 0.916 11.022 6.560 1.00 0.33 C ATOM 1155 C MET A 80 0.930 11.505 5.114 1.00 0.30 C ATOM 1156 O MET A 80 0.439 10.822 4.215 1.00 0.34 O ATOM 1157 CB MET A 80 2.056 10.028 6.790 1.00 0.39 C ATOM 1158 CG MET A 80 2.169 9.552 8.229 1.00 0.46 C ATOM 1159 SD MET A 80 3.759 8.779 8.582 1.00 0.52 S ATOM 1160 CE MET A 80 3.816 7.519 7.311 1.00 0.48 C ATOM 0 H MET A 80 -0.681 9.703 6.228 1.00 0.32 H new ATOM 0 HA MET A 80 1.058 11.883 7.213 1.00 0.33 H new ATOM 0 HB2 MET A 80 1.910 9.164 6.141 1.00 0.39 H new ATOM 0 HB3 MET A 80 2.997 10.493 6.495 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.024 10.399 8.900 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.370 8.841 8.436 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.956 6.542 7.773 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.881 7.524 6.751 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.645 7.723 6.634 1.00 0.48 H new ATOM 1170 N ALA A 81 1.495 12.690 4.898 1.00 0.29 N ATOM 1171 CA ALA A 81 1.575 13.270 3.563 1.00 0.31 C ATOM 1172 C ALA A 81 2.382 12.379 2.624 1.00 0.26 C ATOM 1173 O ALA A 81 3.206 11.583 3.073 1.00 0.23 O ATOM 1174 CB ALA A 81 2.184 14.662 3.624 1.00 0.39 C ATOM 0 H ALA A 81 1.904 13.267 5.633 1.00 0.29 H new ATOM 0 HA ALA A 81 0.562 13.347 3.169 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.236 15.081 2.619 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.565 15.303 4.252 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.188 14.602 4.045 1.00 0.39 H new ATOM 1180 N GLN A 82 2.140 12.520 1.324 1.00 0.33 N ATOM 1181 CA GLN A 82 2.840 11.722 0.321 1.00 0.35 C ATOM 1182 C GLN A 82 4.346 11.722 0.563 1.00 0.31 C ATOM 1183 O GLN A 82 4.982 10.667 0.578 1.00 0.31 O ATOM 1184 CB GLN A 82 2.538 12.252 -1.083 1.00 0.42 C ATOM 1185 CG GLN A 82 3.228 11.473 -2.193 1.00 0.51 C ATOM 1186 CD GLN A 82 2.893 12.004 -3.573 1.00 0.76 C ATOM 1187 OE1 GLN A 82 2.629 13.194 -3.747 1.00 1.52 O ATOM 1188 NE2 GLN A 82 2.902 11.121 -4.565 1.00 0.74 N ATOM 0 H GLN A 82 1.464 13.180 0.940 1.00 0.33 H new ATOM 0 HA GLN A 82 2.483 10.696 0.403 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.461 12.225 -1.248 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.843 13.297 -1.141 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.307 11.514 -2.044 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.937 10.424 -2.131 1.00 0.51 H new ATOM 0 HE21 GLN A 82 3.126 10.144 -4.376 1.00 0.74 H new ATOM 0 HE22 GLN A 82 2.685 11.420 -5.516 1.00 0.74 H new ATOM 1197 N SER A 83 4.908 12.912 0.757 1.00 0.32 N ATOM 1198 CA SER A 83 6.341 13.059 0.993 1.00 0.35 C ATOM 1199 C SER A 83 6.811 12.173 2.145 1.00 0.30 C ATOM 1200 O SER A 83 7.842 11.508 2.045 1.00 0.35 O ATOM 1201 CB SER A 83 6.680 14.520 1.290 1.00 0.44 C ATOM 1202 OG SER A 83 5.998 14.977 2.445 1.00 1.48 O ATOM 0 H SER A 83 4.391 13.791 0.755 1.00 0.32 H new ATOM 0 HA SER A 83 6.861 12.743 0.089 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.755 14.625 1.433 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.410 15.140 0.435 1.00 0.44 H new ATOM 0 HG SER A 83 6.233 15.913 2.615 1.00 1.48 H new ATOM 1208 N ASP A 84 6.051 12.173 3.236 1.00 0.24 N ATOM 1209 CA ASP A 84 6.395 11.375 4.410 1.00 0.24 C ATOM 1210 C ASP A 84 6.421 9.885 4.083 1.00 0.20 C ATOM 1211 O ASP A 84 7.343 9.170 4.476 1.00 0.24 O ATOM 1212 CB ASP A 84 5.399 11.642 5.540 1.00 0.27 C ATOM 1213 CG ASP A 84 5.452 13.077 6.027 1.00 1.03 C ATOM 1214 OD1 ASP A 84 4.791 13.938 5.409 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.152 13.339 7.027 1.00 0.97 O ATOM 0 H ASP A 84 5.193 12.716 3.332 1.00 0.24 H new ATOM 0 HA ASP A 84 7.394 11.669 4.731 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.391 11.415 5.194 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.609 10.970 6.372 1.00 0.27 H new ATOM 1220 N VAL A 85 5.403 9.421 3.363 1.00 0.19 N ATOM 1221 CA VAL A 85 5.313 8.015 2.987 1.00 0.22 C ATOM 1222 C VAL A 85 6.524 7.591 2.163 1.00 0.21 C ATOM 1223 O VAL A 85 7.071 6.504 2.357 1.00 0.24 O ATOM 1224 CB VAL A 85 4.032 7.728 2.180 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.825 6.231 2.016 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.825 8.369 2.846 1.00 0.30 C ATOM 0 H VAL A 85 4.631 9.998 3.029 1.00 0.19 H new ATOM 0 HA VAL A 85 5.285 7.441 3.913 1.00 0.22 H new ATOM 0 HB VAL A 85 4.147 8.166 1.188 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.915 6.050 1.443 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.677 5.801 1.489 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.734 5.767 2.998 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.930 8.155 2.261 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.707 7.965 3.851 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.971 9.448 2.904 1.00 0.30 H new ATOM 1236 N VAL A 86 6.940 8.460 1.247 1.00 0.22 N ATOM 1237 CA VAL A 86 8.088 8.183 0.392 1.00 0.25 C ATOM 1238 C VAL A 86 9.370 8.069 1.213 1.00 0.24 C ATOM 1239 O VAL A 86 10.234 7.242 0.919 1.00 0.26 O ATOM 1240 CB VAL A 86 8.265 9.278 -0.678 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.493 9.005 -1.533 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.019 9.381 -1.544 1.00 0.34 C ATOM 0 H VAL A 86 6.498 9.364 1.078 1.00 0.22 H new ATOM 0 HA VAL A 86 7.895 7.231 -0.103 1.00 0.25 H new ATOM 0 HB VAL A 86 8.412 10.232 -0.171 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.598 9.791 -2.281 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.380 8.986 -0.900 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.383 8.042 -2.031 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.161 10.159 -2.294 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.841 8.427 -2.040 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.161 9.631 -0.919 1.00 0.34 H new ATOM 1252 N GLU A 87 9.487 8.906 2.239 1.00 0.25 N ATOM 1253 CA GLU A 87 10.662 8.896 3.103 1.00 0.26 C ATOM 1254 C GLU A 87 10.844 7.527 3.747 1.00 0.24 C ATOM 1255 O GLU A 87 11.942 6.971 3.750 1.00 0.26 O ATOM 1256 CB GLU A 87 10.538 9.970 4.186 1.00 0.32 C ATOM 1257 CG GLU A 87 10.719 11.385 3.663 1.00 0.75 C ATOM 1258 CD GLU A 87 12.130 11.647 3.173 1.00 1.04 C ATOM 1259 OE1 GLU A 87 12.397 11.408 1.976 1.00 1.51 O ATOM 1260 OE2 GLU A 87 12.967 12.095 3.984 1.00 1.19 O ATOM 0 H GLU A 87 8.783 9.599 2.492 1.00 0.25 H new ATOM 0 HA GLU A 87 11.537 9.112 2.490 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.558 9.888 4.657 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.281 9.780 4.961 1.00 0.32 H new ATOM 0 HG2 GLU A 87 10.016 11.560 2.848 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.475 12.095 4.453 1.00 0.75 H new ATOM 1267 N VAL A 88 9.758 6.990 4.291 1.00 0.22 N ATOM 1268 CA VAL A 88 9.788 5.683 4.937 1.00 0.22 C ATOM 1269 C VAL A 88 10.296 4.607 3.984 1.00 0.23 C ATOM 1270 O VAL A 88 11.252 3.890 4.288 1.00 0.25 O ATOM 1271 CB VAL A 88 8.389 5.280 5.439 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.385 3.836 5.918 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.924 6.219 6.540 1.00 0.27 C ATOM 0 H VAL A 88 8.843 7.441 4.297 1.00 0.22 H new ATOM 0 HA VAL A 88 10.468 5.764 5.785 1.00 0.22 H new ATOM 0 HB VAL A 88 7.689 5.361 4.607 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.387 3.572 6.268 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.667 3.179 5.095 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.098 3.721 6.734 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.934 5.917 6.881 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.624 6.176 7.374 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.880 7.238 6.155 1.00 0.27 H new ATOM 1283 N LEU A 89 9.644 4.500 2.832 1.00 0.24 N ATOM 1284 CA LEU A 89 10.003 3.505 1.831 1.00 0.28 C ATOM 1285 C LEU A 89 11.487 3.571 1.471 1.00 0.32 C ATOM 1286 O LEU A 89 12.121 2.542 1.234 1.00 0.39 O ATOM 1287 CB LEU A 89 9.155 3.697 0.572 1.00 0.32 C ATOM 1288 CG LEU A 89 7.642 3.587 0.783 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.899 3.913 -0.502 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.269 2.195 1.273 1.00 0.35 C ATOM 0 H LEU A 89 8.859 5.095 2.568 1.00 0.24 H new ATOM 0 HA LEU A 89 9.807 2.522 2.259 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.377 4.677 0.150 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.458 2.956 -0.167 1.00 0.32 H new ATOM 0 HG LEU A 89 7.350 4.310 1.544 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.825 3.830 -0.333 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.139 4.930 -0.813 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.199 3.214 -1.283 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.190 2.137 1.417 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.577 1.455 0.535 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.772 1.995 2.219 1.00 0.35 H new ATOM 1302 N ARG A 90 12.037 4.781 1.431 1.00 0.31 N ATOM 1303 CA ARG A 90 13.444 4.967 1.088 1.00 0.37 C ATOM 1304 C ARG A 90 14.349 4.791 2.305 1.00 0.37 C ATOM 1305 O ARG A 90 15.553 4.576 2.164 1.00 0.48 O ATOM 1306 CB ARG A 90 13.665 6.347 0.465 1.00 0.41 C ATOM 1307 CG ARG A 90 13.116 6.470 -0.948 1.00 0.49 C ATOM 1308 CD ARG A 90 13.462 7.814 -1.569 1.00 0.72 C ATOM 1309 NE ARG A 90 12.763 8.918 -0.915 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.801 10.175 -1.348 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.510 10.490 -2.425 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.132 11.120 -0.702 1.00 2.10 N ATOM 0 H ARG A 90 11.532 5.645 1.631 1.00 0.31 H new ATOM 0 HA ARG A 90 13.708 4.199 0.360 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.195 7.101 1.096 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.733 6.564 0.451 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.519 5.668 -1.567 1.00 0.49 H new ATOM 0 HG3 ARG A 90 12.033 6.345 -0.930 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.538 7.977 -1.503 1.00 0.72 H new ATOM 0 HD3 ARG A 90 13.206 7.800 -2.628 1.00 0.72 H new ATOM 0 HE ARG A 90 12.215 8.713 -0.079 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.028 9.767 -2.924 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.536 11.455 -2.754 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.588 10.883 0.128 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.162 12.084 -1.035 1.00 2.10 H new ATOM 1326 N ASN A 91 13.769 4.882 3.498 1.00 0.32 N ATOM 1327 CA ASN A 91 14.537 4.727 4.729 1.00 0.36 C ATOM 1328 C ASN A 91 14.568 3.267 5.170 1.00 0.36 C ATOM 1329 O ASN A 91 15.283 2.908 6.106 1.00 0.42 O ATOM 1330 CB ASN A 91 13.951 5.599 5.842 1.00 0.38 C ATOM 1331 CG ASN A 91 14.144 7.080 5.579 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.114 7.488 4.940 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.218 7.895 6.073 1.00 1.14 N ATOM 0 H ASN A 91 12.775 5.061 3.638 1.00 0.32 H new ATOM 0 HA ASN A 91 15.559 5.050 4.530 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.887 5.387 5.944 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.420 5.337 6.790 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.295 8.902 5.928 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.430 7.514 6.597 1.00 1.14 H new ATOM 1340 N ALA A 92 13.785 2.431 4.493 1.00 0.32 N ATOM 1341 CA ALA A 92 13.727 1.008 4.810 1.00 0.34 C ATOM 1342 C ALA A 92 15.116 0.373 4.764 1.00 0.46 C ATOM 1343 O ALA A 92 15.776 0.234 5.794 1.00 0.55 O ATOM 1344 CB ALA A 92 12.783 0.293 3.854 1.00 0.32 C ATOM 0 H ALA A 92 13.182 2.715 3.721 1.00 0.32 H new ATOM 0 HA ALA A 92 13.346 0.904 5.826 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.749 -0.768 4.102 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.784 0.719 3.943 1.00 0.32 H new ATOM 0 HB3 ALA A 92 13.139 0.416 2.831 1.00 0.32 H new ATOM 1350 N GLY A 93 15.557 -0.009 3.567 1.00 0.53 N ATOM 1351 CA GLY A 93 16.865 -0.629 3.420 1.00 0.68 C ATOM 1352 C GLY A 93 16.971 -1.938 4.176 1.00 0.66 C ATOM 1353 O GLY A 93 18.067 -2.459 4.384 1.00 0.76 O ATOM 0 H GLY A 93 15.034 0.099 2.698 1.00 0.53 H new ATOM 0 HA2 GLY A 93 17.064 -0.806 2.363 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.632 0.058 3.778 1.00 0.68 H new ATOM 1357 N ASN A 94 15.825 -2.467 4.589 1.00 0.54 N ATOM 1358 CA ASN A 94 15.777 -3.720 5.333 1.00 0.54 C ATOM 1359 C ASN A 94 14.502 -4.497 4.991 1.00 0.43 C ATOM 1360 O ASN A 94 13.605 -3.960 4.340 1.00 0.39 O ATOM 1361 CB ASN A 94 15.818 -3.427 6.834 1.00 0.59 C ATOM 1362 CG ASN A 94 14.565 -2.719 7.305 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.509 -3.488 7.545 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.541 -1.497 7.443 1.00 2.52 N flip ATOM 0 H ASN A 94 14.912 -2.045 4.420 1.00 0.54 H new ATOM 0 HA ASN A 94 16.639 -4.327 5.057 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.935 -4.361 7.383 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.689 -2.812 7.060 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.376 -0.945 7.247 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.686 -1.036 7.753 1.00 2.52 H new ATOM 1371 N PRO A 95 14.408 -5.779 5.405 1.00 0.41 N ATOM 1372 CA PRO A 95 13.213 -6.595 5.159 1.00 0.35 C ATOM 1373 C PRO A 95 11.989 -6.002 5.851 1.00 0.32 C ATOM 1374 O PRO A 95 11.761 -6.237 7.039 1.00 0.45 O ATOM 1375 CB PRO A 95 13.566 -7.959 5.766 1.00 0.44 C ATOM 1376 CG PRO A 95 15.052 -7.967 5.874 1.00 0.64 C ATOM 1377 CD PRO A 95 15.454 -6.540 6.110 1.00 0.51 C ATOM 0 HA PRO A 95 12.961 -6.653 4.100 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.100 -8.088 6.743 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.213 -8.774 5.134 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.381 -8.606 6.693 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.508 -8.356 4.964 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.481 -6.299 7.173 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.446 -6.329 5.710 1.00 0.51 H new ATOM 1385 N VAL A 96 11.203 -5.234 5.102 1.00 0.28 N ATOM 1386 CA VAL A 96 10.015 -4.588 5.649 1.00 0.33 C ATOM 1387 C VAL A 96 8.731 -5.268 5.186 1.00 0.28 C ATOM 1388 O VAL A 96 8.681 -5.870 4.114 1.00 0.30 O ATOM 1389 CB VAL A 96 9.958 -3.100 5.252 1.00 0.41 C ATOM 1390 CG1 VAL A 96 11.050 -2.312 5.958 1.00 0.64 C ATOM 1391 CG2 VAL A 96 10.074 -2.948 3.742 1.00 0.38 C ATOM 0 H VAL A 96 11.368 -5.044 4.114 1.00 0.28 H new ATOM 0 HA VAL A 96 10.090 -4.677 6.733 1.00 0.33 H new ATOM 0 HB VAL A 96 8.995 -2.697 5.565 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.991 -1.264 5.663 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.918 -2.393 7.037 1.00 0.64 H new ATOM 0 HG13 VAL A 96 12.025 -2.713 5.681 1.00 0.64 H new ATOM 0 HG21 VAL A 96 10.032 -1.891 3.478 1.00 0.38 H new ATOM 0 HG22 VAL A 96 11.022 -3.368 3.406 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.251 -3.475 3.259 1.00 0.38 H new ATOM 1401 N ARG A 97 7.691 -5.158 6.007 1.00 0.24 N ATOM 1402 CA ARG A 97 6.398 -5.744 5.696 1.00 0.22 C ATOM 1403 C ARG A 97 5.439 -4.665 5.210 1.00 0.18 C ATOM 1404 O ARG A 97 5.481 -3.525 5.678 1.00 0.18 O ATOM 1405 CB ARG A 97 5.820 -6.441 6.930 1.00 0.27 C ATOM 1406 CG ARG A 97 4.467 -7.089 6.685 1.00 0.69 C ATOM 1407 CD ARG A 97 3.878 -7.645 7.972 1.00 0.71 C ATOM 1408 NE ARG A 97 3.681 -6.603 8.976 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.095 -6.812 10.152 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.648 -8.019 10.469 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.956 -5.812 11.012 1.00 2.37 N ATOM 0 H ARG A 97 7.723 -4.664 6.899 1.00 0.24 H new ATOM 0 HA ARG A 97 6.530 -6.483 4.906 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.522 -7.203 7.269 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.725 -5.714 7.736 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.783 -6.356 6.257 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.573 -7.891 5.955 1.00 0.69 H new ATOM 0 HD2 ARG A 97 2.924 -8.126 7.756 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.540 -8.414 8.372 1.00 0.71 H new ATOM 0 HE ARG A 97 4.011 -5.662 8.764 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.753 -8.791 9.811 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.199 -8.176 11.371 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.298 -4.882 10.772 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.507 -5.973 11.913 1.00 2.37 H new ATOM 1425 N LEU A 98 4.578 -5.030 4.269 1.00 0.19 N ATOM 1426 CA LEU A 98 3.613 -4.092 3.717 1.00 0.18 C ATOM 1427 C LEU A 98 2.185 -4.544 4.014 1.00 0.18 C ATOM 1428 O LEU A 98 1.698 -5.512 3.429 1.00 0.30 O ATOM 1429 CB LEU A 98 3.812 -3.962 2.207 1.00 0.23 C ATOM 1430 CG LEU A 98 5.268 -3.973 1.732 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.330 -3.985 0.213 1.00 0.30 C ATOM 1432 CD2 LEU A 98 6.025 -2.776 2.285 1.00 0.37 C ATOM 0 H LEU A 98 4.529 -5.969 3.873 1.00 0.19 H new ATOM 0 HA LEU A 98 3.774 -3.121 4.186 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.282 -4.778 1.716 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.346 -3.034 1.875 1.00 0.23 H new ATOM 0 HG LEU A 98 5.743 -4.880 2.107 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.371 -3.993 -0.109 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.827 -4.875 -0.165 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.836 -3.096 -0.178 1.00 0.30 H new ATOM 0 HD21 LEU A 98 7.057 -2.805 1.935 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.551 -1.856 1.943 1.00 0.37 H new ATOM 0 HD23 LEU A 98 6.011 -2.808 3.374 1.00 0.37 H new ATOM 1444 N LEU A 99 1.523 -3.842 4.929 1.00 0.18 N ATOM 1445 CA LEU A 99 0.151 -4.171 5.295 1.00 0.19 C ATOM 1446 C LEU A 99 -0.830 -3.257 4.567 1.00 0.19 C ATOM 1447 O LEU A 99 -1.024 -2.104 4.953 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.043 -4.055 6.812 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.453 -4.376 7.318 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.866 -5.783 6.914 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.525 -4.218 8.830 1.00 0.36 C ATOM 0 H LEU A 99 1.914 -3.044 5.429 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.045 -5.201 4.997 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.663 -4.724 7.304 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.213 -3.041 7.118 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.146 -3.671 6.860 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.870 -5.988 7.284 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.856 -5.867 5.827 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.168 -6.504 7.340 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.534 -4.450 9.172 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.816 -4.899 9.301 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.277 -3.192 9.101 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.444 -3.782 3.511 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.400 -3.014 2.720 1.00 0.23 C ATOM 1465 C LEU A 100 -3.705 -3.782 2.535 1.00 0.24 C ATOM 1466 O LEU A 100 -3.756 -4.995 2.735 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.796 -2.664 1.356 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.810 -3.691 0.792 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.504 -5.017 0.517 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.155 -3.160 -0.473 1.00 0.31 C ATOM 0 H LEU A 100 -1.297 -4.737 3.183 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.623 -2.093 3.259 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.608 -2.534 0.641 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.287 -1.704 1.439 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.035 -3.863 1.539 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.782 -5.729 0.117 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.923 -5.407 1.444 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.304 -4.866 -0.208 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.543 -3.902 -0.861 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.921 -2.956 -1.221 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.383 -2.240 -0.245 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.759 -3.066 2.153 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.066 -3.678 1.945 1.00 0.29 C ATOM 1484 C ILE A 101 -6.514 -3.543 0.492 1.00 0.32 C ATOM 1485 O ILE A 101 -6.298 -2.509 -0.144 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.133 -3.051 2.866 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.487 -3.737 2.660 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.240 -1.554 2.611 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.549 -3.300 3.646 1.00 0.45 C ATOM 0 H ILE A 101 -4.732 -2.061 1.981 1.00 0.25 H new ATOM 0 HA ILE A 101 -5.963 -4.735 2.190 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.830 -3.200 3.902 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.837 -3.532 1.648 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.353 -4.816 2.739 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -7.997 -1.126 3.268 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.278 -1.081 2.809 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.522 -1.381 1.572 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.479 -3.829 3.437 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.221 -3.530 4.660 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.713 -2.226 3.552 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.138 -4.598 -0.027 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.623 -4.604 -1.403 1.00 0.46 C ATOM 1503 C ARG A 102 -9.022 -5.209 -1.481 1.00 0.60 C ATOM 1504 O ARG A 102 -9.271 -6.292 -0.951 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.657 -5.384 -2.301 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.191 -5.647 -3.703 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.453 -4.353 -4.461 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.970 -4.607 -5.803 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.600 -3.695 -6.537 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -8.799 -2.474 -6.059 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -9.038 -4.005 -7.750 1.00 2.20 N ATOM 0 H ARG A 102 -7.319 -5.461 0.486 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.676 -3.573 -1.753 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.721 -4.831 -2.378 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.426 -6.338 -1.826 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.475 -6.254 -4.257 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.114 -6.223 -3.638 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.166 -3.744 -3.906 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.529 -3.778 -4.530 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.840 -5.538 -6.200 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.468 -2.232 -5.125 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.283 -1.777 -6.625 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.892 -4.944 -8.121 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.521 -3.304 -8.312 1.00 2.20 H new