USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 68 THR OG1 : rot -99:sc= 0.558 USER MOD Set 1.2: A 69 ASN : amide:sc= -2.83! C(o=-2.3!,f=-4.6!) USER MOD Single : A 12 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc=-0.00238 (180deg=-0.151) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 63:sc= 0.0768 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.839 X(o=-0.84,f=-1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 36 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 39 SER OG : rot 150:sc= -1.03 USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0209) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -2.41 (180deg=-3.22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.122) USER MOD Single : A 62 TYR OH : rot 58:sc= -7.42! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 80 SER OG : rot -130:sc= 0.0292 USER MOD Single : A 83 THR OG1 : rot -71:sc= -0.664 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0814) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 55:sc= -0.0207 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 13.022 12.253 -8.853 1.00 23.22 N ATOM 169 CA HIS A 12 11.972 12.259 -7.841 1.00 73.20 C ATOM 170 C HIS A 12 12.288 13.261 -6.735 1.00 23.21 C ATOM 171 O HIS A 12 13.091 12.984 -5.843 1.00 74.32 O ATOM 172 CB HIS A 12 11.800 10.861 -7.245 1.00 42.13 C ATOM 173 CG HIS A 12 11.064 9.914 -8.142 1.00 12.01 C ATOM 174 ND1 HIS A 12 11.574 9.463 -9.341 1.00 75.21 N ATOM 175 CD2 HIS A 12 9.850 9.331 -8.008 1.00 33.03 C ATOM 176 CE1 HIS A 12 10.704 8.645 -9.907 1.00 21.45 C ATOM 177 NE2 HIS A 12 9.649 8.547 -9.117 1.00 44.23 N ATOM 0 HA HIS A 12 11.041 12.558 -8.322 1.00 73.20 H new ATOM 0 HB2 HIS A 12 12.783 10.447 -7.021 1.00 42.13 H new ATOM 0 HB3 HIS A 12 11.265 10.942 -6.299 1.00 42.13 H new ATOM 0 HD2 HIS A 12 9.166 9.459 -7.182 1.00 33.03 H new ATOM 0 HE1 HIS A 12 10.833 8.142 -10.854 1.00 21.45 H new ATOM 0 HE2 HIS A 12 8.821 7.981 -9.301 1.00 44.23 H new ATOM 185 N VAL A 13 11.653 14.427 -6.800 1.00 24.23 N ATOM 186 CA VAL A 13 11.867 15.470 -5.804 1.00 0.12 C ATOM 187 C VAL A 13 10.646 15.630 -4.905 1.00 50.42 C ATOM 188 O VAL A 13 9.508 15.508 -5.360 1.00 1.42 O ATOM 189 CB VAL A 13 12.183 16.823 -6.468 1.00 5.43 C ATOM 190 CG1 VAL A 13 11.053 17.240 -7.396 1.00 40.21 C ATOM 191 CG2 VAL A 13 12.437 17.888 -5.411 1.00 51.22 C ATOM 0 H VAL A 13 10.986 14.673 -7.532 1.00 24.23 H new ATOM 0 HA VAL A 13 12.721 15.162 -5.201 1.00 0.12 H new ATOM 0 HB VAL A 13 13.088 16.712 -7.065 1.00 5.43 H new ATOM 0 HG11 VAL A 13 11.295 18.198 -7.856 1.00 40.21 H new ATOM 0 HG12 VAL A 13 10.924 16.487 -8.173 1.00 40.21 H new ATOM 0 HG13 VAL A 13 10.129 17.334 -6.825 1.00 40.21 H new ATOM 0 HG21 VAL A 13 12.659 18.838 -5.897 1.00 51.22 H new ATOM 0 HG22 VAL A 13 11.551 17.999 -4.786 1.00 51.22 H new ATOM 0 HG23 VAL A 13 13.283 17.591 -4.792 1.00 51.22 H new ATOM 201 N ILE A 14 10.890 15.905 -3.628 1.00 70.13 N ATOM 202 CA ILE A 14 9.810 16.084 -2.666 1.00 31.30 C ATOM 203 C ILE A 14 9.939 17.416 -1.936 1.00 23.05 C ATOM 204 O ILE A 14 10.896 18.162 -2.145 1.00 63.44 O ATOM 205 CB ILE A 14 9.784 14.944 -1.631 1.00 31.24 C ATOM 206 CG1 ILE A 14 11.132 14.846 -0.913 1.00 52.23 C ATOM 207 CG2 ILE A 14 9.440 13.624 -2.304 1.00 75.05 C ATOM 208 CD1 ILE A 14 11.238 15.746 0.298 1.00 22.11 C ATOM 0 H ILE A 14 11.826 16.009 -3.236 1.00 70.13 H new ATOM 0 HA ILE A 14 8.878 16.072 -3.231 1.00 31.30 H new ATOM 0 HB ILE A 14 9.014 15.164 -0.891 1.00 31.24 H new ATOM 0 HG12 ILE A 14 11.296 13.814 -0.604 1.00 52.23 H new ATOM 0 HG13 ILE A 14 11.927 15.099 -1.614 1.00 52.23 H new ATOM 0 HG21 ILE A 14 9.426 12.829 -1.559 1.00 75.05 H new ATOM 0 HG22 ILE A 14 8.459 13.700 -2.773 1.00 75.05 H new ATOM 0 HG23 ILE A 14 10.188 13.397 -3.063 1.00 75.05 H new ATOM 0 HD11 ILE A 14 12.219 15.624 0.757 1.00 22.11 H new ATOM 0 HD12 ILE A 14 11.106 16.784 -0.007 1.00 22.11 H new ATOM 0 HD13 ILE A 14 10.465 15.479 1.019 1.00 22.11 H new ATOM 220 N LYS A 15 8.970 17.709 -1.075 1.00 4.11 N ATOM 221 CA LYS A 15 8.976 18.950 -0.309 1.00 51.03 C ATOM 222 C LYS A 15 8.046 18.850 0.896 1.00 41.13 C ATOM 223 O LYS A 15 7.526 19.857 1.376 1.00 40.35 O ATOM 224 CB LYS A 15 8.554 20.123 -1.197 1.00 75.20 C ATOM 225 CG LYS A 15 7.221 19.909 -1.894 1.00 40.00 C ATOM 226 CD LYS A 15 7.410 19.406 -3.315 1.00 74.04 C ATOM 227 CE LYS A 15 6.075 19.181 -4.009 1.00 33.23 C ATOM 228 NZ LYS A 15 5.319 20.452 -4.184 1.00 2.14 N ATOM 0 H LYS A 15 8.170 17.104 -0.890 1.00 4.11 H new ATOM 0 HA LYS A 15 9.991 19.121 0.051 1.00 51.03 H new ATOM 0 HB2 LYS A 15 8.496 21.026 -0.589 1.00 75.20 H new ATOM 0 HB3 LYS A 15 9.324 20.294 -1.949 1.00 75.20 H new ATOM 0 HG2 LYS A 15 6.625 19.192 -1.329 1.00 40.00 H new ATOM 0 HG3 LYS A 15 6.663 20.845 -1.910 1.00 40.00 H new ATOM 0 HD2 LYS A 15 7.999 20.127 -3.882 1.00 74.04 H new ATOM 0 HD3 LYS A 15 7.975 18.474 -3.300 1.00 74.04 H new ATOM 0 HE2 LYS A 15 6.245 18.723 -4.983 1.00 33.23 H new ATOM 0 HE3 LYS A 15 5.477 18.480 -3.427 1.00 33.23 H new ATOM 0 HZ1 LYS A 15 4.511 20.291 -4.819 1.00 2.14 H new ATOM 0 HZ2 LYS A 15 4.973 20.780 -3.260 1.00 2.14 H new ATOM 0 HZ3 LYS A 15 5.944 21.174 -4.596 1.00 2.14 H new ATOM 242 N SER A 16 7.842 17.629 1.381 1.00 44.43 N ATOM 243 CA SER A 16 6.973 17.398 2.529 1.00 43.24 C ATOM 244 C SER A 16 7.404 16.150 3.293 1.00 13.01 C ATOM 245 O SER A 16 8.091 15.283 2.753 1.00 63.35 O ATOM 246 CB SER A 16 5.520 17.256 2.074 1.00 75.52 C ATOM 247 OG SER A 16 4.776 18.426 2.366 1.00 4.14 O ATOM 0 H SER A 16 8.267 16.785 0.997 1.00 44.43 H new ATOM 0 HA SER A 16 7.055 18.257 3.195 1.00 43.24 H new ATOM 0 HB2 SER A 16 5.489 17.060 1.002 1.00 75.52 H new ATOM 0 HB3 SER A 16 5.063 16.398 2.568 1.00 75.52 H new ATOM 0 HG SER A 16 3.851 18.310 2.063 1.00 4.14 H new ATOM 253 N LEU A 17 6.994 16.066 4.554 1.00 3.11 N ATOM 254 CA LEU A 17 7.337 14.924 5.395 1.00 14.32 C ATOM 255 C LEU A 17 6.563 13.681 4.967 1.00 13.44 C ATOM 256 O LEU A 17 7.150 12.631 4.712 1.00 61.13 O ATOM 257 CB LEU A 17 7.044 15.241 6.863 1.00 42.12 C ATOM 258 CG LEU A 17 8.017 14.650 7.884 1.00 74.51 C ATOM 259 CD1 LEU A 17 9.406 15.241 7.703 1.00 12.31 C ATOM 260 CD2 LEU A 17 7.513 14.888 9.300 1.00 4.00 C ATOM 0 H LEU A 17 6.424 16.774 5.016 1.00 3.11 H new ATOM 0 HA LEU A 17 8.402 14.724 5.278 1.00 14.32 H new ATOM 0 HB2 LEU A 17 7.034 16.324 6.985 1.00 42.12 H new ATOM 0 HB3 LEU A 17 6.041 14.884 7.098 1.00 42.12 H new ATOM 0 HG LEU A 17 8.079 13.575 7.718 1.00 74.51 H new ATOM 0 HD11 LEU A 17 10.084 14.808 8.438 1.00 12.31 H new ATOM 0 HD12 LEU A 17 9.768 15.018 6.700 1.00 12.31 H new ATOM 0 HD13 LEU A 17 9.363 16.321 7.841 1.00 12.31 H new ATOM 0 HD21 LEU A 17 8.218 14.461 10.014 1.00 4.00 H new ATOM 0 HD22 LEU A 17 7.421 15.959 9.478 1.00 4.00 H new ATOM 0 HD23 LEU A 17 6.539 14.414 9.424 1.00 4.00 H new ATOM 272 N GLU A 18 5.242 13.810 4.890 1.00 12.42 N ATOM 273 CA GLU A 18 4.388 12.697 4.492 1.00 44.33 C ATOM 274 C GLU A 18 4.875 12.080 3.184 1.00 54.05 C ATOM 275 O GLU A 18 5.006 10.862 3.072 1.00 62.30 O ATOM 276 CB GLU A 18 2.940 13.165 4.340 1.00 15.40 C ATOM 277 CG GLU A 18 1.930 12.249 5.011 1.00 4.25 C ATOM 278 CD GLU A 18 0.507 12.755 4.882 1.00 73.33 C ATOM 279 OE1 GLU A 18 -0.175 12.880 5.921 1.00 5.50 O ATOM 280 OE2 GLU A 18 0.074 13.024 3.742 1.00 13.20 O ATOM 0 H GLU A 18 4.740 14.673 5.098 1.00 12.42 H new ATOM 0 HA GLU A 18 4.436 11.938 5.273 1.00 44.33 H new ATOM 0 HB2 GLU A 18 2.845 14.166 4.760 1.00 15.40 H new ATOM 0 HB3 GLU A 18 2.701 13.240 3.279 1.00 15.40 H new ATOM 0 HG2 GLU A 18 1.999 11.254 4.571 1.00 4.25 H new ATOM 0 HG3 GLU A 18 2.182 12.149 6.067 1.00 4.25 H new ATOM 287 N GLU A 19 5.139 12.931 2.197 1.00 71.22 N ATOM 288 CA GLU A 19 5.609 12.469 0.896 1.00 31.31 C ATOM 289 C GLU A 19 6.810 11.540 1.050 1.00 33.31 C ATOM 290 O GLU A 19 6.965 10.577 0.297 1.00 3.41 O ATOM 291 CB GLU A 19 5.982 13.660 0.011 1.00 21.02 C ATOM 292 CG GLU A 19 6.069 13.317 -1.466 1.00 71.04 C ATOM 293 CD GLU A 19 4.705 13.191 -2.117 1.00 61.11 C ATOM 294 OE1 GLU A 19 4.029 14.228 -2.283 1.00 4.12 O ATOM 295 OE2 GLU A 19 4.313 12.056 -2.460 1.00 44.03 O ATOM 0 H GLU A 19 5.035 13.943 2.274 1.00 71.22 H new ATOM 0 HA GLU A 19 4.800 11.913 0.422 1.00 31.31 H new ATOM 0 HB2 GLU A 19 5.244 14.450 0.149 1.00 21.02 H new ATOM 0 HB3 GLU A 19 6.941 14.060 0.340 1.00 21.02 H new ATOM 0 HG2 GLU A 19 6.643 14.087 -1.981 1.00 71.04 H new ATOM 0 HG3 GLU A 19 6.613 12.380 -1.586 1.00 71.04 H new ATOM 302 N LEU A 20 7.656 11.835 2.030 1.00 24.23 N ATOM 303 CA LEU A 20 8.844 11.027 2.284 1.00 4.01 C ATOM 304 C LEU A 20 8.464 9.660 2.845 1.00 41.43 C ATOM 305 O LEU A 20 8.699 8.631 2.211 1.00 55.42 O ATOM 306 CB LEU A 20 9.777 11.749 3.258 1.00 24.20 C ATOM 307 CG LEU A 20 11.270 11.682 2.932 1.00 52.32 C ATOM 308 CD1 LEU A 20 11.610 12.631 1.793 1.00 70.12 C ATOM 309 CD2 LEU A 20 12.100 12.007 4.165 1.00 42.21 C ATOM 0 H LEU A 20 7.542 12.627 2.662 1.00 24.23 H new ATOM 0 HA LEU A 20 9.362 10.879 1.336 1.00 4.01 H new ATOM 0 HB2 LEU A 20 9.482 12.797 3.303 1.00 24.20 H new ATOM 0 HB3 LEU A 20 9.624 11.332 4.253 1.00 24.20 H new ATOM 0 HG LEU A 20 11.508 10.667 2.616 1.00 52.32 H new ATOM 0 HD11 LEU A 20 12.676 12.570 1.575 1.00 70.12 H new ATOM 0 HD12 LEU A 20 11.041 12.353 0.906 1.00 70.12 H new ATOM 0 HD13 LEU A 20 11.356 13.651 2.081 1.00 70.12 H new ATOM 0 HD21 LEU A 20 13.160 11.955 3.915 1.00 42.21 H new ATOM 0 HD22 LEU A 20 11.858 13.012 4.512 1.00 42.21 H new ATOM 0 HD23 LEU A 20 11.877 11.288 4.953 1.00 42.21 H new ATOM 321 N ARG A 21 7.874 9.658 4.036 1.00 43.34 N ATOM 322 CA ARG A 21 7.460 8.418 4.681 1.00 3.30 C ATOM 323 C ARG A 21 6.582 7.588 3.750 1.00 63.52 C ATOM 324 O ARG A 21 6.552 6.361 3.841 1.00 64.23 O ATOM 325 CB ARG A 21 6.705 8.720 5.977 1.00 43.22 C ATOM 326 CG ARG A 21 7.006 7.741 7.099 1.00 23.24 C ATOM 327 CD ARG A 21 5.817 7.581 8.033 1.00 12.44 C ATOM 328 NE ARG A 21 6.071 6.594 9.079 1.00 34.01 N ATOM 329 CZ ARG A 21 6.153 5.288 8.852 1.00 22.21 C ATOM 330 NH1 ARG A 21 6.003 4.814 7.623 1.00 44.53 N ATOM 331 NH2 ARG A 21 6.387 4.452 9.856 1.00 13.10 N ATOM 0 H ARG A 21 7.672 10.501 4.574 1.00 43.34 H new ATOM 0 HA ARG A 21 8.356 7.843 4.916 1.00 3.30 H new ATOM 0 HB2 ARG A 21 6.957 9.728 6.308 1.00 43.22 H new ATOM 0 HB3 ARG A 21 5.634 8.709 5.775 1.00 43.22 H new ATOM 0 HG2 ARG A 21 7.271 6.772 6.676 1.00 23.24 H new ATOM 0 HG3 ARG A 21 7.870 8.089 7.665 1.00 23.24 H new ATOM 0 HD2 ARG A 21 5.584 8.542 8.491 1.00 12.44 H new ATOM 0 HD3 ARG A 21 4.941 7.281 7.457 1.00 12.44 H new ATOM 0 HE ARG A 21 6.192 6.926 10.036 1.00 34.01 H new ATOM 0 HH11 ARG A 21 5.824 5.453 6.848 1.00 44.53 H new ATOM 0 HH12 ARG A 21 6.067 3.810 7.452 1.00 44.53 H new ATOM 0 HH21 ARG A 21 6.504 4.812 10.803 1.00 13.10 H new ATOM 0 HH22 ARG A 21 6.450 3.449 9.681 1.00 13.10 H new ATOM 345 N GLU A 22 5.869 8.266 2.856 1.00 60.50 N ATOM 346 CA GLU A 22 4.990 7.589 1.910 1.00 54.33 C ATOM 347 C GLU A 22 5.793 6.958 0.776 1.00 32.43 C ATOM 348 O GLU A 22 5.422 5.910 0.247 1.00 14.50 O ATOM 349 CB GLU A 22 3.966 8.573 1.338 1.00 64.22 C ATOM 350 CG GLU A 22 2.916 7.916 0.459 1.00 73.53 C ATOM 351 CD GLU A 22 1.961 8.919 -0.159 1.00 62.10 C ATOM 352 OE1 GLU A 22 2.361 10.089 -0.331 1.00 4.43 O ATOM 353 OE2 GLU A 22 0.815 8.534 -0.470 1.00 52.23 O ATOM 0 H GLU A 22 5.883 9.282 2.767 1.00 60.50 H new ATOM 0 HA GLU A 22 4.465 6.797 2.444 1.00 54.33 H new ATOM 0 HB2 GLU A 22 3.469 9.087 2.161 1.00 64.22 H new ATOM 0 HB3 GLU A 22 4.490 9.333 0.758 1.00 64.22 H new ATOM 0 HG2 GLU A 22 3.411 7.355 -0.334 1.00 73.53 H new ATOM 0 HG3 GLU A 22 2.349 7.198 1.052 1.00 73.53 H new ATOM 360 N ALA A 23 6.895 7.603 0.409 1.00 21.21 N ATOM 361 CA ALA A 23 7.752 7.104 -0.660 1.00 13.43 C ATOM 362 C ALA A 23 8.577 5.911 -0.190 1.00 41.14 C ATOM 363 O ALA A 23 9.008 5.085 -0.996 1.00 34.12 O ATOM 364 CB ALA A 23 8.663 8.213 -1.166 1.00 21.32 C ATOM 0 H ALA A 23 7.216 8.472 0.836 1.00 21.21 H new ATOM 0 HA ALA A 23 7.114 6.771 -1.479 1.00 13.43 H new ATOM 0 HB1 ALA A 23 9.298 7.827 -1.964 1.00 21.32 H new ATOM 0 HB2 ALA A 23 8.058 9.035 -1.549 1.00 21.32 H new ATOM 0 HB3 ALA A 23 9.287 8.573 -0.348 1.00 21.32 H new ATOM 370 N THR A 24 8.796 5.826 1.118 1.00 13.42 N ATOM 371 CA THR A 24 9.571 4.735 1.695 1.00 41.35 C ATOM 372 C THR A 24 8.764 3.442 1.723 1.00 10.54 C ATOM 373 O THR A 24 9.324 2.353 1.839 1.00 72.32 O ATOM 374 CB THR A 24 10.035 5.070 3.125 1.00 74.21 C ATOM 375 OG1 THR A 24 9.288 6.180 3.635 1.00 41.44 O ATOM 376 CG2 THR A 24 11.520 5.397 3.150 1.00 61.51 C ATOM 0 H THR A 24 8.447 6.501 1.799 1.00 13.42 H new ATOM 0 HA THR A 24 10.447 4.599 1.060 1.00 41.35 H new ATOM 0 HB THR A 24 9.861 4.196 3.753 1.00 74.21 H new ATOM 0 HG1 THR A 24 8.341 5.936 3.696 1.00 41.44 H new ATOM 0 HG21 THR A 24 11.824 5.630 4.170 1.00 61.51 H new ATOM 0 HG22 THR A 24 12.088 4.539 2.789 1.00 61.51 H new ATOM 0 HG23 THR A 24 11.714 6.256 2.508 1.00 61.51 H new ATOM 384 N ALA A 25 7.446 3.571 1.617 1.00 15.01 N ATOM 385 CA ALA A 25 6.562 2.412 1.628 1.00 14.02 C ATOM 386 C ALA A 25 6.283 1.921 0.212 1.00 74.21 C ATOM 387 O ALA A 25 5.386 1.106 -0.008 1.00 1.35 O ATOM 388 CB ALA A 25 5.259 2.749 2.338 1.00 32.34 C ATOM 0 H ALA A 25 6.967 4.466 1.523 1.00 15.01 H new ATOM 0 HA ALA A 25 7.062 1.610 2.171 1.00 14.02 H new ATOM 0 HB1 ALA A 25 4.608 1.874 2.339 1.00 32.34 H new ATOM 0 HB2 ALA A 25 5.471 3.045 3.366 1.00 32.34 H new ATOM 0 HB3 ALA A 25 4.763 3.569 1.819 1.00 32.34 H new ATOM 394 N SER A 26 7.056 2.422 -0.746 1.00 73.34 N ATOM 395 CA SER A 26 6.888 2.037 -2.143 1.00 23.11 C ATOM 396 C SER A 26 7.223 0.562 -2.344 1.00 32.13 C ATOM 397 O SER A 26 7.964 -0.030 -1.561 1.00 4.34 O ATOM 398 CB SER A 26 7.776 2.900 -3.042 1.00 22.24 C ATOM 399 OG SER A 26 7.116 4.098 -3.412 1.00 30.15 O ATOM 0 H SER A 26 7.804 3.095 -0.581 1.00 73.34 H new ATOM 0 HA SER A 26 5.844 2.195 -2.415 1.00 23.11 H new ATOM 0 HB2 SER A 26 8.704 3.138 -2.521 1.00 22.24 H new ATOM 0 HB3 SER A 26 8.047 2.339 -3.937 1.00 22.24 H new ATOM 0 HG SER A 26 7.705 4.632 -3.985 1.00 30.15 H new ATOM 405 N ASN A 27 6.669 -0.025 -3.400 1.00 23.42 N ATOM 406 CA ASN A 27 6.908 -1.431 -3.705 1.00 34.53 C ATOM 407 C ASN A 27 8.045 -1.585 -4.710 1.00 54.03 C ATOM 408 O ASN A 27 8.004 -2.455 -5.581 1.00 11.24 O ATOM 409 CB ASN A 27 5.635 -2.078 -4.254 1.00 73.54 C ATOM 410 CG ASN A 27 5.336 -1.649 -5.678 1.00 23.01 C ATOM 411 OD1 ASN A 27 5.627 -2.373 -6.630 1.00 51.13 O ATOM 412 ND2 ASN A 27 4.753 -0.466 -5.829 1.00 1.53 N ATOM 0 H ASN A 27 6.052 0.451 -4.058 1.00 23.42 H new ATOM 0 HA ASN A 27 7.194 -1.934 -2.781 1.00 34.53 H new ATOM 0 HB2 ASN A 27 5.737 -3.163 -4.218 1.00 73.54 H new ATOM 0 HB3 ASN A 27 4.792 -1.816 -3.614 1.00 73.54 H new ATOM 0 HD21 ASN A 27 4.528 -0.124 -6.763 1.00 1.53 H new ATOM 0 HD22 ASN A 27 4.530 0.101 -5.011 1.00 1.53 H new ATOM 419 N ARG A 28 9.058 -0.735 -4.584 1.00 1.34 N ATOM 420 CA ARG A 28 10.206 -0.775 -5.481 1.00 61.23 C ATOM 421 C ARG A 28 11.490 -0.419 -4.738 1.00 23.20 C ATOM 422 O ARG A 28 11.505 -0.335 -3.510 1.00 11.14 O ATOM 423 CB ARG A 28 9.999 0.187 -6.653 1.00 32.24 C ATOM 424 CG ARG A 28 10.375 -0.405 -8.001 1.00 23.11 C ATOM 425 CD ARG A 28 9.328 -1.395 -8.487 1.00 1.03 C ATOM 426 NE ARG A 28 9.652 -1.931 -9.806 1.00 22.31 N ATOM 427 CZ ARG A 28 9.136 -3.056 -10.289 1.00 40.21 C ATOM 428 NH1 ARG A 28 8.276 -3.759 -9.566 1.00 14.33 N ATOM 429 NH2 ARG A 28 9.480 -3.479 -11.499 1.00 10.02 N ATOM 0 H ARG A 28 9.107 -0.010 -3.869 1.00 1.34 H new ATOM 0 HA ARG A 28 10.299 -1.791 -5.865 1.00 61.23 H new ATOM 0 HB2 ARG A 28 8.953 0.494 -6.680 1.00 32.24 H new ATOM 0 HB3 ARG A 28 10.591 1.086 -6.483 1.00 32.24 H new ATOM 0 HG2 ARG A 28 10.487 0.395 -8.732 1.00 23.11 H new ATOM 0 HG3 ARG A 28 11.341 -0.904 -7.924 1.00 23.11 H new ATOM 0 HD2 ARG A 28 9.245 -2.215 -7.773 1.00 1.03 H new ATOM 0 HD3 ARG A 28 8.355 -0.905 -8.524 1.00 1.03 H new ATOM 0 HE ARG A 28 10.310 -1.414 -10.388 1.00 22.31 H new ATOM 0 HH11 ARG A 28 8.009 -3.437 -8.636 1.00 14.33 H new ATOM 0 HH12 ARG A 28 7.882 -4.622 -9.940 1.00 14.33 H new ATOM 0 HH21 ARG A 28 10.141 -2.940 -12.059 1.00 10.02 H new ATOM 0 HH22 ARG A 28 9.083 -4.343 -11.869 1.00 10.02 H new ATOM 443 N ILE A 29 12.566 -0.212 -5.491 1.00 35.33 N ATOM 444 CA ILE A 29 13.853 0.135 -4.903 1.00 65.22 C ATOM 445 C ILE A 29 14.193 1.601 -5.150 1.00 62.31 C ATOM 446 O ILE A 29 14.573 1.983 -6.257 1.00 31.40 O ATOM 447 CB ILE A 29 14.985 -0.745 -5.467 1.00 51.22 C ATOM 448 CG1 ILE A 29 14.571 -2.218 -5.453 1.00 53.42 C ATOM 449 CG2 ILE A 29 16.263 -0.541 -4.667 1.00 40.25 C ATOM 450 CD1 ILE A 29 14.146 -2.739 -6.808 1.00 52.43 C ATOM 0 H ILE A 29 12.571 -0.279 -6.509 1.00 35.33 H new ATOM 0 HA ILE A 29 13.768 -0.040 -3.831 1.00 65.22 H new ATOM 0 HB ILE A 29 15.174 -0.450 -6.499 1.00 51.22 H new ATOM 0 HG12 ILE A 29 15.404 -2.818 -5.087 1.00 53.42 H new ATOM 0 HG13 ILE A 29 13.750 -2.350 -4.748 1.00 53.42 H new ATOM 0 HG21 ILE A 29 17.053 -1.169 -5.077 1.00 40.25 H new ATOM 0 HG22 ILE A 29 16.565 0.505 -4.724 1.00 40.25 H new ATOM 0 HG23 ILE A 29 16.088 -0.812 -3.626 1.00 40.25 H new ATOM 0 HD11 ILE A 29 13.866 -3.789 -6.723 1.00 52.43 H new ATOM 0 HD12 ILE A 29 13.292 -2.164 -7.167 1.00 52.43 H new ATOM 0 HD13 ILE A 29 14.973 -2.640 -7.512 1.00 52.43 H new ATOM 462 N SER A 30 14.056 2.418 -4.111 1.00 34.33 N ATOM 463 CA SER A 30 14.346 3.843 -4.215 1.00 20.12 C ATOM 464 C SER A 30 15.662 4.181 -3.522 1.00 4.14 C ATOM 465 O SER A 30 16.098 3.475 -2.612 1.00 60.44 O ATOM 466 CB SER A 30 13.209 4.663 -3.603 1.00 33.25 C ATOM 467 OG SER A 30 11.954 4.264 -4.126 1.00 14.30 O ATOM 0 H SER A 30 13.746 2.117 -3.187 1.00 34.33 H new ATOM 0 HA SER A 30 14.437 4.094 -5.272 1.00 20.12 H new ATOM 0 HB2 SER A 30 13.211 4.541 -2.520 1.00 33.25 H new ATOM 0 HB3 SER A 30 13.371 5.722 -3.805 1.00 33.25 H new ATOM 0 HG SER A 30 11.244 4.802 -3.718 1.00 14.30 H new ATOM 473 N VAL A 31 16.292 5.267 -3.958 1.00 52.43 N ATOM 474 CA VAL A 31 17.558 5.702 -3.380 1.00 60.53 C ATOM 475 C VAL A 31 17.423 7.074 -2.729 1.00 63.45 C ATOM 476 O VAL A 31 17.545 8.102 -3.395 1.00 44.23 O ATOM 477 CB VAL A 31 18.671 5.757 -4.444 1.00 12.02 C ATOM 478 CG1 VAL A 31 20.022 6.002 -3.790 1.00 64.44 C ATOM 479 CG2 VAL A 31 18.689 4.475 -5.262 1.00 62.14 C ATOM 0 H VAL A 31 15.946 5.862 -4.710 1.00 52.43 H new ATOM 0 HA VAL A 31 17.828 4.968 -2.620 1.00 60.53 H new ATOM 0 HB VAL A 31 18.465 6.588 -5.119 1.00 12.02 H new ATOM 0 HG11 VAL A 31 20.796 6.038 -4.557 1.00 64.44 H new ATOM 0 HG12 VAL A 31 19.999 6.950 -3.252 1.00 64.44 H new ATOM 0 HG13 VAL A 31 20.240 5.194 -3.092 1.00 64.44 H new ATOM 0 HG21 VAL A 31 19.481 4.531 -6.009 1.00 62.14 H new ATOM 0 HG22 VAL A 31 18.871 3.626 -4.603 1.00 62.14 H new ATOM 0 HG23 VAL A 31 17.728 4.348 -5.761 1.00 62.14 H new ATOM 489 N ILE A 32 17.171 7.081 -1.425 1.00 5.21 N ATOM 490 CA ILE A 32 17.022 8.327 -0.684 1.00 11.34 C ATOM 491 C ILE A 32 18.379 8.956 -0.386 1.00 52.43 C ATOM 492 O ILE A 32 19.076 8.546 0.542 1.00 72.54 O ATOM 493 CB ILE A 32 16.269 8.107 0.642 1.00 63.10 C ATOM 494 CG1 ILE A 32 15.028 7.243 0.411 1.00 31.33 C ATOM 495 CG2 ILE A 32 15.884 9.442 1.261 1.00 43.32 C ATOM 496 CD1 ILE A 32 15.151 5.845 0.977 1.00 12.32 C ATOM 0 H ILE A 32 17.066 6.238 -0.860 1.00 5.21 H new ATOM 0 HA ILE A 32 16.442 9.001 -1.315 1.00 11.34 H new ATOM 0 HB ILE A 32 16.929 7.585 1.335 1.00 63.10 H new ATOM 0 HG12 ILE A 32 14.165 7.734 0.861 1.00 31.33 H new ATOM 0 HG13 ILE A 32 14.835 7.177 -0.660 1.00 31.33 H new ATOM 0 HG21 ILE A 32 15.353 9.269 2.197 1.00 43.32 H new ATOM 0 HG22 ILE A 32 16.784 10.025 1.457 1.00 43.32 H new ATOM 0 HG23 ILE A 32 15.239 9.989 0.574 1.00 43.32 H new ATOM 0 HD11 ILE A 32 14.235 5.289 0.776 1.00 12.32 H new ATOM 0 HD12 ILE A 32 15.994 5.336 0.509 1.00 12.32 H new ATOM 0 HD13 ILE A 32 15.313 5.901 2.053 1.00 12.32 H new ATOM 508 N VAL A 33 18.747 9.958 -1.179 1.00 63.53 N ATOM 509 CA VAL A 33 20.020 10.646 -1.000 1.00 13.42 C ATOM 510 C VAL A 33 19.821 12.002 -0.331 1.00 22.12 C ATOM 511 O VAL A 33 19.066 12.843 -0.819 1.00 64.15 O ATOM 512 CB VAL A 33 20.742 10.851 -2.345 1.00 31.02 C ATOM 513 CG1 VAL A 33 22.152 11.376 -2.120 1.00 15.33 C ATOM 514 CG2 VAL A 33 20.768 9.553 -3.138 1.00 10.12 C ATOM 0 H VAL A 33 18.182 10.311 -1.951 1.00 63.53 H new ATOM 0 HA VAL A 33 20.635 10.013 -0.359 1.00 13.42 H new ATOM 0 HB VAL A 33 20.192 11.593 -2.924 1.00 31.02 H new ATOM 0 HG11 VAL A 33 22.646 11.515 -3.081 1.00 15.33 H new ATOM 0 HG12 VAL A 33 22.106 12.330 -1.595 1.00 15.33 H new ATOM 0 HG13 VAL A 33 22.716 10.660 -1.522 1.00 15.33 H new ATOM 0 HG21 VAL A 33 21.282 9.716 -4.085 1.00 10.12 H new ATOM 0 HG22 VAL A 33 21.294 8.788 -2.567 1.00 10.12 H new ATOM 0 HG23 VAL A 33 19.747 9.224 -3.331 1.00 10.12 H new ATOM 524 N PHE A 34 20.504 12.208 0.791 1.00 61.35 N ATOM 525 CA PHE A 34 20.403 13.462 1.528 1.00 32.30 C ATOM 526 C PHE A 34 21.457 14.458 1.054 1.00 13.11 C ATOM 527 O PHE A 34 22.646 14.144 1.002 1.00 44.15 O ATOM 528 CB PHE A 34 20.561 13.209 3.029 1.00 45.42 C ATOM 529 CG PHE A 34 20.940 14.438 3.806 1.00 33.44 C ATOM 530 CD1 PHE A 34 21.951 14.390 4.753 1.00 54.53 C ATOM 531 CD2 PHE A 34 20.284 15.639 3.591 1.00 10.12 C ATOM 532 CE1 PHE A 34 22.301 15.519 5.470 1.00 65.12 C ATOM 533 CE2 PHE A 34 20.631 16.771 4.305 1.00 72.32 C ATOM 534 CZ PHE A 34 21.640 16.710 5.246 1.00 12.31 C ATOM 0 H PHE A 34 21.133 11.523 1.209 1.00 61.35 H new ATOM 0 HA PHE A 34 19.417 13.887 1.340 1.00 32.30 H new ATOM 0 HB2 PHE A 34 19.625 12.813 3.423 1.00 45.42 H new ATOM 0 HB3 PHE A 34 21.321 12.443 3.183 1.00 45.42 H new ATOM 0 HD1 PHE A 34 22.471 13.461 4.933 1.00 54.53 H new ATOM 0 HD2 PHE A 34 19.493 15.692 2.858 1.00 10.12 H new ATOM 0 HE1 PHE A 34 23.091 15.469 6.205 1.00 65.12 H new ATOM 0 HE2 PHE A 34 20.113 17.702 4.127 1.00 72.32 H new ATOM 0 HZ PHE A 34 21.912 17.593 5.806 1.00 12.31 H new ATOM 544 N THR A 35 21.011 15.662 0.709 1.00 43.22 N ATOM 545 CA THR A 35 21.914 16.705 0.237 1.00 30.24 C ATOM 546 C THR A 35 21.270 18.082 0.349 1.00 34.20 C ATOM 547 O THR A 35 20.049 18.200 0.459 1.00 73.00 O ATOM 548 CB THR A 35 22.335 16.465 -1.225 1.00 30.43 C ATOM 549 OG1 THR A 35 23.400 17.353 -1.580 1.00 52.53 O ATOM 550 CG2 THR A 35 21.159 16.671 -2.167 1.00 50.24 C ATOM 0 H THR A 35 20.030 15.939 0.748 1.00 43.22 H new ATOM 0 HA THR A 35 22.799 16.668 0.873 1.00 30.24 H new ATOM 0 HB THR A 35 22.677 15.434 -1.317 1.00 30.43 H new ATOM 0 HG1 THR A 35 23.663 17.193 -2.510 1.00 52.53 H new ATOM 0 HG21 THR A 35 21.480 16.496 -3.194 1.00 50.24 H new ATOM 0 HG22 THR A 35 20.362 15.972 -1.912 1.00 50.24 H new ATOM 0 HG23 THR A 35 20.791 17.692 -2.071 1.00 50.24 H new ATOM 558 N HIS A 36 22.097 19.122 0.320 1.00 62.45 N ATOM 559 CA HIS A 36 21.607 20.492 0.416 1.00 31.12 C ATOM 560 C HIS A 36 21.356 21.078 -0.970 1.00 13.11 C ATOM 561 O HIS A 36 22.172 20.948 -1.883 1.00 12.44 O ATOM 562 CB HIS A 36 22.608 21.362 1.177 1.00 62.23 C ATOM 563 CG HIS A 36 21.989 22.564 1.821 1.00 62.20 C ATOM 564 ND1 HIS A 36 21.071 22.479 2.846 1.00 54.21 N ATOM 565 CD2 HIS A 36 22.163 23.885 1.582 1.00 70.34 C ATOM 566 CE1 HIS A 36 20.705 23.696 3.208 1.00 72.11 C ATOM 567 NE2 HIS A 36 21.354 24.567 2.456 1.00 34.04 N ATOM 0 H HIS A 36 23.110 19.042 0.231 1.00 62.45 H new ATOM 0 HA HIS A 36 20.663 20.477 0.961 1.00 31.12 H new ATOM 0 HB2 HIS A 36 23.092 20.758 1.944 1.00 62.23 H new ATOM 0 HB3 HIS A 36 23.388 21.690 0.490 1.00 62.23 H new ATOM 0 HD2 HIS A 36 22.817 24.321 0.841 1.00 70.34 H new ATOM 0 HE1 HIS A 36 19.996 23.938 3.986 1.00 72.11 H new ATOM 0 HE2 HIS A 36 21.268 25.582 2.515 1.00 34.04 H new ATOM 575 N PRO A 37 20.200 21.738 -1.133 1.00 54.13 N ATOM 576 CA PRO A 37 19.814 22.357 -2.405 1.00 62.11 C ATOM 577 C PRO A 37 20.670 23.574 -2.740 1.00 74.13 C ATOM 578 O PRO A 37 20.707 24.021 -3.887 1.00 1.54 O ATOM 579 CB PRO A 37 18.360 22.774 -2.171 1.00 21.44 C ATOM 580 CG PRO A 37 18.248 22.945 -0.695 1.00 23.21 C ATOM 581 CD PRO A 37 19.180 21.932 -0.089 1.00 33.32 C ATOM 0 HA PRO A 37 19.946 21.676 -3.246 1.00 62.11 H new ATOM 0 HB2 PRO A 37 18.124 23.700 -2.696 1.00 21.44 H new ATOM 0 HB3 PRO A 37 17.667 22.016 -2.535 1.00 21.44 H new ATOM 0 HG2 PRO A 37 18.524 23.957 -0.397 1.00 23.21 H new ATOM 0 HG3 PRO A 37 17.224 22.782 -0.360 1.00 23.21 H new ATOM 0 HD2 PRO A 37 19.620 22.296 0.840 1.00 33.32 H new ATOM 0 HD3 PRO A 37 18.664 21.001 0.146 1.00 33.32 H new ATOM 589 N ASP A 38 21.355 24.105 -1.734 1.00 24.51 N ATOM 590 CA ASP A 38 22.212 25.269 -1.923 1.00 1.45 C ATOM 591 C ASP A 38 23.682 24.896 -1.753 1.00 54.42 C ATOM 592 O ASP A 38 24.312 25.252 -0.757 1.00 73.23 O ATOM 593 CB ASP A 38 21.836 26.372 -0.932 1.00 35.04 C ATOM 594 CG ASP A 38 22.773 27.561 -1.005 1.00 52.31 C ATOM 595 OD1 ASP A 38 23.627 27.701 -0.104 1.00 70.45 O ATOM 596 OD2 ASP A 38 22.653 28.352 -1.964 1.00 13.44 O ATOM 0 H ASP A 38 21.334 23.748 -0.779 1.00 24.51 H new ATOM 0 HA ASP A 38 22.064 25.637 -2.938 1.00 1.45 H new ATOM 0 HB2 ASP A 38 20.817 26.704 -1.132 1.00 35.04 H new ATOM 0 HB3 ASP A 38 21.847 25.966 0.080 1.00 35.04 H new ATOM 601 N SER A 39 24.221 24.177 -2.732 1.00 51.02 N ATOM 602 CA SER A 39 25.615 23.751 -2.689 1.00 51.33 C ATOM 603 C SER A 39 26.004 23.034 -3.978 1.00 73.33 C ATOM 604 O SER A 39 25.718 21.849 -4.154 1.00 52.12 O ATOM 605 CB SER A 39 25.853 22.833 -1.489 1.00 70.22 C ATOM 606 OG SER A 39 27.211 22.436 -1.412 1.00 61.44 O ATOM 0 H SER A 39 23.714 23.877 -3.565 1.00 51.02 H new ATOM 0 HA SER A 39 26.238 24.640 -2.586 1.00 51.33 H new ATOM 0 HB2 SER A 39 25.569 23.348 -0.571 1.00 70.22 H new ATOM 0 HB3 SER A 39 25.217 21.951 -1.570 1.00 70.22 H new ATOM 0 HG SER A 39 27.455 22.286 -0.475 1.00 61.44 H new ATOM 612 N LYS A 40 26.658 23.760 -4.878 1.00 51.21 N ATOM 613 CA LYS A 40 27.088 23.195 -6.152 1.00 4.54 C ATOM 614 C LYS A 40 28.249 22.226 -5.952 1.00 42.23 C ATOM 615 O LYS A 40 28.270 21.140 -6.532 1.00 14.15 O ATOM 616 CB LYS A 40 27.501 24.311 -7.114 1.00 42.22 C ATOM 617 CG LYS A 40 28.582 25.223 -6.561 1.00 4.03 C ATOM 618 CD LYS A 40 28.379 26.662 -7.004 1.00 10.22 C ATOM 619 CE LYS A 40 29.432 27.088 -8.015 1.00 50.13 C ATOM 620 NZ LYS A 40 29.353 26.287 -9.268 1.00 41.45 N ATOM 0 H LYS A 40 26.902 24.742 -4.749 1.00 51.21 H new ATOM 0 HA LYS A 40 26.249 22.646 -6.580 1.00 4.54 H new ATOM 0 HB2 LYS A 40 27.854 23.865 -8.044 1.00 42.22 H new ATOM 0 HB3 LYS A 40 26.624 24.909 -7.361 1.00 42.22 H new ATOM 0 HG2 LYS A 40 28.579 25.173 -5.472 1.00 4.03 H new ATOM 0 HG3 LYS A 40 29.559 24.873 -6.894 1.00 4.03 H new ATOM 0 HD2 LYS A 40 27.387 26.772 -7.442 1.00 10.22 H new ATOM 0 HD3 LYS A 40 28.419 27.320 -6.136 1.00 10.22 H new ATOM 0 HE2 LYS A 40 29.303 28.144 -8.250 1.00 50.13 H new ATOM 0 HE3 LYS A 40 30.423 26.978 -7.575 1.00 50.13 H new ATOM 0 HZ1 LYS A 40 30.029 26.662 -9.963 1.00 41.45 H new ATOM 0 HZ2 LYS A 40 29.585 25.295 -9.061 1.00 41.45 H new ATOM 0 HZ3 LYS A 40 28.390 26.344 -9.656 1.00 41.45 H new ATOM 634 N ARG A 41 29.213 22.626 -5.129 1.00 31.42 N ATOM 635 CA ARG A 41 30.377 21.792 -4.853 1.00 73.23 C ATOM 636 C ARG A 41 29.959 20.465 -4.226 1.00 73.02 C ATOM 637 O ARG A 41 30.717 19.496 -4.237 1.00 22.40 O ATOM 638 CB ARG A 41 31.347 22.524 -3.924 1.00 72.04 C ATOM 639 CG ARG A 41 30.769 22.818 -2.550 1.00 11.32 C ATOM 640 CD ARG A 41 30.201 24.227 -2.474 1.00 74.33 C ATOM 641 NE ARG A 41 30.800 25.002 -1.392 1.00 25.34 N ATOM 642 CZ ARG A 41 30.727 26.325 -1.307 1.00 10.30 C ATOM 643 NH1 ARG A 41 30.082 27.018 -2.236 1.00 63.51 N ATOM 644 NH2 ARG A 41 31.299 26.959 -0.291 1.00 53.21 N ATOM 0 H ARG A 41 29.211 23.522 -4.642 1.00 31.42 H new ATOM 0 HA ARG A 41 30.877 21.586 -5.799 1.00 73.23 H new ATOM 0 HB2 ARG A 41 32.249 21.923 -3.808 1.00 72.04 H new ATOM 0 HB3 ARG A 41 31.646 23.462 -4.391 1.00 72.04 H new ATOM 0 HG2 ARG A 41 29.985 22.096 -2.322 1.00 11.32 H new ATOM 0 HG3 ARG A 41 31.545 22.696 -1.794 1.00 11.32 H new ATOM 0 HD2 ARG A 41 30.370 24.737 -3.422 1.00 74.33 H new ATOM 0 HD3 ARG A 41 29.122 24.175 -2.328 1.00 74.33 H new ATOM 0 HE ARG A 41 31.303 24.499 -0.660 1.00 25.34 H new ATOM 0 HH11 ARG A 41 29.640 26.535 -3.018 1.00 63.51 H new ATOM 0 HH12 ARG A 41 30.027 28.034 -2.168 1.00 63.51 H new ATOM 0 HH21 ARG A 41 31.796 26.430 0.426 1.00 53.21 H new ATOM 0 HH22 ARG A 41 31.242 27.975 -0.227 1.00 53.21 H new ATOM 658 N SER A 42 28.747 20.430 -3.680 1.00 4.11 N ATOM 659 CA SER A 42 28.230 19.224 -3.044 1.00 40.12 C ATOM 660 C SER A 42 27.257 18.498 -3.968 1.00 31.22 C ATOM 661 O SER A 42 27.228 17.268 -4.016 1.00 22.21 O ATOM 662 CB SER A 42 27.535 19.574 -1.727 1.00 4.42 C ATOM 663 OG SER A 42 27.424 18.436 -0.891 1.00 31.24 O ATOM 0 H SER A 42 28.105 21.223 -3.666 1.00 4.11 H new ATOM 0 HA SER A 42 29.071 18.562 -2.838 1.00 40.12 H new ATOM 0 HB2 SER A 42 28.096 20.354 -1.212 1.00 4.42 H new ATOM 0 HB3 SER A 42 26.543 19.977 -1.932 1.00 4.42 H new ATOM 0 HG SER A 42 26.978 18.686 -0.055 1.00 31.24 H new ATOM 669 N LYS A 43 26.460 19.268 -4.701 1.00 0.13 N ATOM 670 CA LYS A 43 25.485 18.701 -5.625 1.00 23.11 C ATOM 671 C LYS A 43 26.133 18.376 -6.967 1.00 61.11 C ATOM 672 O LYS A 43 25.460 17.944 -7.902 1.00 41.03 O ATOM 673 CB LYS A 43 24.321 19.673 -5.831 1.00 22.15 C ATOM 674 CG LYS A 43 23.318 19.671 -4.690 1.00 21.50 C ATOM 675 CD LYS A 43 21.893 19.536 -5.201 1.00 24.54 C ATOM 676 CE LYS A 43 21.402 20.830 -5.831 1.00 23.31 C ATOM 677 NZ LYS A 43 21.119 20.667 -7.284 1.00 21.42 N ATOM 0 H LYS A 43 26.470 20.288 -4.673 1.00 0.13 H new ATOM 0 HA LYS A 43 25.105 17.776 -5.191 1.00 23.11 H new ATOM 0 HB2 LYS A 43 24.718 20.681 -5.953 1.00 22.15 H new ATOM 0 HB3 LYS A 43 23.806 19.419 -6.757 1.00 22.15 H new ATOM 0 HG2 LYS A 43 23.541 18.849 -4.010 1.00 21.50 H new ATOM 0 HG3 LYS A 43 23.415 20.594 -4.118 1.00 21.50 H new ATOM 0 HD2 LYS A 43 21.843 18.731 -5.934 1.00 24.54 H new ATOM 0 HD3 LYS A 43 21.235 19.258 -4.378 1.00 24.54 H new ATOM 0 HE2 LYS A 43 20.498 21.163 -5.320 1.00 23.31 H new ATOM 0 HE3 LYS A 43 22.152 21.609 -5.692 1.00 23.31 H new ATOM 0 HZ1 LYS A 43 20.787 21.571 -7.677 1.00 21.42 H new ATOM 0 HZ2 LYS A 43 21.987 20.374 -7.776 1.00 21.42 H new ATOM 0 HZ3 LYS A 43 20.385 19.942 -7.416 1.00 21.42 H new ATOM 691 N GLU A 44 27.443 18.585 -7.053 1.00 41.31 N ATOM 692 CA GLU A 44 28.180 18.313 -8.281 1.00 44.44 C ATOM 693 C GLU A 44 28.282 16.812 -8.534 1.00 75.21 C ATOM 694 O GLU A 44 28.197 16.357 -9.675 1.00 71.13 O ATOM 695 CB GLU A 44 29.581 18.925 -8.208 1.00 21.34 C ATOM 696 CG GLU A 44 30.405 18.418 -7.036 1.00 4.10 C ATOM 697 CD GLU A 44 31.715 19.166 -6.877 1.00 70.13 C ATOM 698 OE1 GLU A 44 32.586 18.682 -6.125 1.00 23.12 O ATOM 699 OE2 GLU A 44 31.869 20.234 -7.505 1.00 15.41 O ATOM 0 H GLU A 44 28.015 18.942 -6.287 1.00 41.31 H new ATOM 0 HA GLU A 44 27.635 18.767 -9.109 1.00 44.44 H new ATOM 0 HB2 GLU A 44 30.112 18.709 -9.135 1.00 21.34 H new ATOM 0 HB3 GLU A 44 29.492 20.009 -8.137 1.00 21.34 H new ATOM 0 HG2 GLU A 44 29.823 18.513 -6.119 1.00 4.10 H new ATOM 0 HG3 GLU A 44 30.611 17.357 -7.174 1.00 4.10 H new ATOM 706 N ILE A 45 28.464 16.048 -7.462 1.00 15.40 N ATOM 707 CA ILE A 45 28.576 14.599 -7.567 1.00 72.11 C ATOM 708 C ILE A 45 27.261 13.978 -8.026 1.00 32.44 C ATOM 709 O ILE A 45 27.214 12.809 -8.411 1.00 42.22 O ATOM 710 CB ILE A 45 28.988 13.967 -6.224 1.00 43.44 C ATOM 711 CG1 ILE A 45 27.980 14.333 -5.133 1.00 22.21 C ATOM 712 CG2 ILE A 45 30.387 14.420 -5.834 1.00 23.12 C ATOM 713 CD1 ILE A 45 26.811 13.377 -5.046 1.00 22.25 C ATOM 0 H ILE A 45 28.537 16.409 -6.511 1.00 15.40 H new ATOM 0 HA ILE A 45 29.350 14.395 -8.307 1.00 72.11 H new ATOM 0 HB ILE A 45 28.996 12.883 -6.336 1.00 43.44 H new ATOM 0 HG12 ILE A 45 28.491 14.358 -4.171 1.00 22.21 H new ATOM 0 HG13 ILE A 45 27.604 15.339 -5.320 1.00 22.21 H new ATOM 0 HG21 ILE A 45 30.665 13.966 -4.883 1.00 23.12 H new ATOM 0 HG22 ILE A 45 31.096 14.114 -6.603 1.00 23.12 H new ATOM 0 HG23 ILE A 45 30.404 15.505 -5.736 1.00 23.12 H new ATOM 0 HD11 ILE A 45 26.137 13.698 -4.252 1.00 22.25 H new ATOM 0 HD12 ILE A 45 26.275 13.370 -5.995 1.00 22.25 H new ATOM 0 HD13 ILE A 45 27.177 12.374 -4.828 1.00 22.25 H new ATOM 725 N LYS A 46 26.193 14.767 -7.983 1.00 1.21 N ATOM 726 CA LYS A 46 24.876 14.297 -8.397 1.00 3.33 C ATOM 727 C LYS A 46 24.941 13.638 -9.770 1.00 70.54 C ATOM 728 O LYS A 46 24.402 12.550 -9.972 1.00 23.31 O ATOM 729 CB LYS A 46 23.882 15.461 -8.424 1.00 64.42 C ATOM 730 CG LYS A 46 23.512 15.977 -7.045 1.00 3.24 C ATOM 731 CD LYS A 46 22.712 14.950 -6.261 1.00 3.42 C ATOM 732 CE LYS A 46 23.173 14.872 -4.813 1.00 74.12 C ATOM 733 NZ LYS A 46 23.770 13.546 -4.492 1.00 40.13 N ATOM 0 H LYS A 46 26.214 15.736 -7.665 1.00 1.21 H new ATOM 0 HA LYS A 46 24.538 13.555 -7.673 1.00 3.33 H new ATOM 0 HB2 LYS A 46 24.308 16.278 -9.006 1.00 64.42 H new ATOM 0 HB3 LYS A 46 22.976 15.142 -8.939 1.00 64.42 H new ATOM 0 HG2 LYS A 46 24.418 16.230 -6.495 1.00 3.24 H new ATOM 0 HG3 LYS A 46 22.931 16.894 -7.143 1.00 3.24 H new ATOM 0 HD2 LYS A 46 21.654 15.209 -6.294 1.00 3.42 H new ATOM 0 HD3 LYS A 46 22.815 13.972 -6.730 1.00 3.42 H new ATOM 0 HE2 LYS A 46 23.906 15.656 -4.622 1.00 74.12 H new ATOM 0 HE3 LYS A 46 22.327 15.059 -4.152 1.00 74.12 H new ATOM 0 HZ1 LYS A 46 24.391 13.636 -3.662 1.00 40.13 H new ATOM 0 HZ2 LYS A 46 23.012 12.865 -4.285 1.00 40.13 H new ATOM 0 HZ3 LYS A 46 24.325 13.209 -5.305 1.00 40.13 H new ATOM 747 N GLU A 47 25.605 14.303 -10.711 1.00 33.31 N ATOM 748 CA GLU A 47 25.739 13.779 -12.065 1.00 64.00 C ATOM 749 C GLU A 47 26.269 12.348 -12.045 1.00 4.12 C ATOM 750 O GLU A 47 25.838 11.503 -12.829 1.00 20.41 O ATOM 751 CB GLU A 47 26.673 14.668 -12.889 1.00 54.52 C ATOM 752 CG GLU A 47 26.667 14.345 -14.374 1.00 3.51 C ATOM 753 CD GLU A 47 25.455 14.909 -15.089 1.00 50.22 C ATOM 754 OE1 GLU A 47 25.205 14.502 -16.243 1.00 45.23 O ATOM 755 OE2 GLU A 47 24.756 15.757 -14.496 1.00 22.02 O ATOM 0 H GLU A 47 26.058 15.204 -10.560 1.00 33.31 H new ATOM 0 HA GLU A 47 24.751 13.776 -12.525 1.00 64.00 H new ATOM 0 HB2 GLU A 47 26.384 15.710 -12.751 1.00 54.52 H new ATOM 0 HB3 GLU A 47 27.689 14.565 -12.507 1.00 54.52 H new ATOM 0 HG2 GLU A 47 27.572 14.743 -14.832 1.00 3.51 H new ATOM 0 HG3 GLU A 47 26.692 13.263 -14.507 1.00 3.51 H new ATOM 762 N LYS A 48 27.208 12.084 -11.143 1.00 4.15 N ATOM 763 CA LYS A 48 27.798 10.757 -11.018 1.00 24.44 C ATOM 764 C LYS A 48 26.716 9.691 -10.880 1.00 30.21 C ATOM 765 O LYS A 48 26.758 8.658 -11.551 1.00 11.54 O ATOM 766 CB LYS A 48 28.737 10.705 -9.810 1.00 32.42 C ATOM 767 CG LYS A 48 29.758 11.828 -9.784 1.00 42.53 C ATOM 768 CD LYS A 48 31.179 11.291 -9.794 1.00 63.32 C ATOM 769 CE LYS A 48 31.604 10.812 -8.414 1.00 51.42 C ATOM 770 NZ LYS A 48 32.778 9.899 -8.481 1.00 32.53 N ATOM 0 H LYS A 48 27.577 12.773 -10.487 1.00 4.15 H new ATOM 0 HA LYS A 48 28.370 10.554 -11.924 1.00 24.44 H new ATOM 0 HB2 LYS A 48 28.143 10.744 -8.897 1.00 32.42 H new ATOM 0 HB3 LYS A 48 29.261 9.749 -9.809 1.00 32.42 H new ATOM 0 HG2 LYS A 48 29.608 12.477 -10.646 1.00 42.53 H new ATOM 0 HG3 LYS A 48 29.605 12.439 -8.894 1.00 42.53 H new ATOM 0 HD2 LYS A 48 31.253 10.468 -10.505 1.00 63.32 H new ATOM 0 HD3 LYS A 48 31.861 12.070 -10.136 1.00 63.32 H new ATOM 0 HE2 LYS A 48 31.848 11.672 -7.790 1.00 51.42 H new ATOM 0 HE3 LYS A 48 30.771 10.297 -7.936 1.00 51.42 H new ATOM 0 HZ1 LYS A 48 33.037 9.595 -7.521 1.00 32.53 H new ATOM 0 HZ2 LYS A 48 32.538 9.066 -9.055 1.00 32.53 H new ATOM 0 HZ3 LYS A 48 33.581 10.398 -8.914 1.00 32.53 H new ATOM 784 N LEU A 49 25.747 9.948 -10.008 1.00 70.52 N ATOM 785 CA LEU A 49 24.652 9.010 -9.784 1.00 13.42 C ATOM 786 C LEU A 49 23.682 9.014 -10.961 1.00 52.41 C ATOM 787 O LEU A 49 23.067 7.996 -11.277 1.00 31.53 O ATOM 788 CB LEU A 49 23.908 9.364 -8.495 1.00 21.24 C ATOM 789 CG LEU A 49 22.896 8.331 -7.999 1.00 34.30 C ATOM 790 CD1 LEU A 49 23.605 7.071 -7.528 1.00 5.14 C ATOM 791 CD2 LEU A 49 22.042 8.914 -6.882 1.00 71.33 C ATOM 0 H LEU A 49 25.697 10.797 -9.445 1.00 70.52 H new ATOM 0 HA LEU A 49 25.076 8.010 -9.690 1.00 13.42 H new ATOM 0 HB2 LEU A 49 24.644 9.529 -7.708 1.00 21.24 H new ATOM 0 HB3 LEU A 49 23.387 10.309 -8.648 1.00 21.24 H new ATOM 0 HG LEU A 49 22.241 8.065 -8.829 1.00 34.30 H new ATOM 0 HD11 LEU A 49 22.868 6.348 -7.179 1.00 5.14 H new ATOM 0 HD12 LEU A 49 24.171 6.642 -8.354 1.00 5.14 H new ATOM 0 HD13 LEU A 49 24.285 7.319 -6.713 1.00 5.14 H new ATOM 0 HD21 LEU A 49 21.327 8.165 -6.541 1.00 71.33 H new ATOM 0 HD22 LEU A 49 22.682 9.209 -6.051 1.00 71.33 H new ATOM 0 HD23 LEU A 49 21.504 9.786 -7.253 1.00 71.33 H new ATOM 803 N LYS A 50 23.551 10.167 -11.609 1.00 70.12 N ATOM 804 CA LYS A 50 22.659 10.304 -12.755 1.00 1.25 C ATOM 805 C LYS A 50 23.135 9.444 -13.921 1.00 11.21 C ATOM 806 O LYS A 50 22.336 8.784 -14.586 1.00 10.40 O ATOM 807 CB LYS A 50 22.575 11.769 -13.189 1.00 13.45 C ATOM 808 CG LYS A 50 21.638 12.604 -12.333 1.00 54.10 C ATOM 809 CD LYS A 50 20.857 13.602 -13.172 1.00 11.02 C ATOM 810 CE LYS A 50 20.809 14.970 -12.509 1.00 45.44 C ATOM 811 NZ LYS A 50 19.957 15.926 -13.270 1.00 65.34 N ATOM 0 H LYS A 50 24.051 11.020 -11.360 1.00 70.12 H new ATOM 0 HA LYS A 50 21.668 9.962 -12.456 1.00 1.25 H new ATOM 0 HB2 LYS A 50 23.572 12.207 -13.155 1.00 13.45 H new ATOM 0 HB3 LYS A 50 22.243 11.814 -14.226 1.00 13.45 H new ATOM 0 HG2 LYS A 50 20.944 11.949 -11.806 1.00 54.10 H new ATOM 0 HG3 LYS A 50 22.213 13.136 -11.575 1.00 54.10 H new ATOM 0 HD2 LYS A 50 21.316 13.690 -14.157 1.00 11.02 H new ATOM 0 HD3 LYS A 50 19.842 13.235 -13.325 1.00 11.02 H new ATOM 0 HE2 LYS A 50 20.424 14.868 -11.494 1.00 45.44 H new ATOM 0 HE3 LYS A 50 21.820 15.370 -12.428 1.00 45.44 H new ATOM 0 HZ1 LYS A 50 19.950 16.846 -12.786 1.00 65.34 H new ATOM 0 HZ2 LYS A 50 20.339 16.043 -14.230 1.00 65.34 H new ATOM 0 HZ3 LYS A 50 18.986 15.557 -13.326 1.00 65.34 H new ATOM 825 N LYS A 51 24.441 9.455 -14.163 1.00 63.54 N ATOM 826 CA LYS A 51 25.025 8.674 -15.248 1.00 30.45 C ATOM 827 C LYS A 51 24.910 7.179 -14.965 1.00 2.15 C ATOM 828 O LYS A 51 24.813 6.368 -15.886 1.00 74.04 O ATOM 829 CB LYS A 51 26.494 9.055 -15.445 1.00 31.33 C ATOM 830 CG LYS A 51 26.783 9.685 -16.796 1.00 73.33 C ATOM 831 CD LYS A 51 28.195 9.377 -17.265 1.00 1.25 C ATOM 832 CE LYS A 51 28.298 7.973 -17.840 1.00 3.01 C ATOM 833 NZ LYS A 51 29.094 7.071 -16.962 1.00 61.11 N ATOM 0 H LYS A 51 25.116 9.996 -13.623 1.00 63.54 H new ATOM 0 HA LYS A 51 24.473 8.897 -16.161 1.00 30.45 H new ATOM 0 HB2 LYS A 51 26.789 9.750 -14.659 1.00 31.33 H new ATOM 0 HB3 LYS A 51 27.110 8.163 -15.330 1.00 31.33 H new ATOM 0 HG2 LYS A 51 26.066 9.317 -17.531 1.00 73.33 H new ATOM 0 HG3 LYS A 51 26.648 10.765 -16.731 1.00 73.33 H new ATOM 0 HD2 LYS A 51 28.495 10.103 -18.020 1.00 1.25 H new ATOM 0 HD3 LYS A 51 28.888 9.481 -16.430 1.00 1.25 H new ATOM 0 HE2 LYS A 51 27.298 7.561 -17.973 1.00 3.01 H new ATOM 0 HE3 LYS A 51 28.758 8.018 -18.827 1.00 3.01 H new ATOM 0 HZ1 LYS A 51 28.729 6.100 -17.040 1.00 61.11 H new ATOM 0 HZ2 LYS A 51 30.091 7.091 -17.257 1.00 61.11 H new ATOM 0 HZ3 LYS A 51 29.019 7.391 -15.975 1.00 61.11 H new ATOM 847 N LEU A 52 24.921 6.821 -13.685 1.00 41.42 N ATOM 848 CA LEU A 52 24.816 5.424 -13.281 1.00 25.34 C ATOM 849 C LEU A 52 23.528 4.800 -13.807 1.00 30.54 C ATOM 850 O LEU A 52 23.413 3.578 -13.904 1.00 10.20 O ATOM 851 CB LEU A 52 24.867 5.308 -11.756 1.00 41.51 C ATOM 852 CG LEU A 52 24.663 3.906 -11.182 1.00 1.11 C ATOM 853 CD1 LEU A 52 25.532 3.702 -9.951 1.00 23.41 C ATOM 854 CD2 LEU A 52 23.197 3.675 -10.846 1.00 11.50 C ATOM 0 H LEU A 52 25.002 7.479 -12.910 1.00 41.42 H new ATOM 0 HA LEU A 52 25.660 4.884 -13.709 1.00 25.34 H new ATOM 0 HB2 LEU A 52 25.833 5.681 -11.415 1.00 41.51 H new ATOM 0 HB3 LEU A 52 24.105 5.965 -11.336 1.00 41.51 H new ATOM 0 HG LEU A 52 24.961 3.178 -11.937 1.00 1.11 H new ATOM 0 HD11 LEU A 52 25.374 2.699 -9.556 1.00 23.41 H new ATOM 0 HD12 LEU A 52 26.581 3.824 -10.222 1.00 23.41 H new ATOM 0 HD13 LEU A 52 25.265 4.437 -9.192 1.00 23.41 H new ATOM 0 HD21 LEU A 52 23.071 2.672 -10.439 1.00 11.50 H new ATOM 0 HD22 LEU A 52 22.873 4.409 -10.109 1.00 11.50 H new ATOM 0 HD23 LEU A 52 22.596 3.778 -11.750 1.00 11.50 H new ATOM 866 N ALA A 53 22.562 5.647 -14.146 1.00 71.44 N ATOM 867 CA ALA A 53 21.283 5.178 -14.667 1.00 4.43 C ATOM 868 C ALA A 53 21.483 4.249 -15.859 1.00 42.54 C ATOM 869 O ALA A 53 20.637 3.403 -16.146 1.00 64.03 O ATOM 870 CB ALA A 53 20.408 6.360 -15.056 1.00 74.14 C ATOM 0 H ALA A 53 22.640 6.661 -14.069 1.00 71.44 H new ATOM 0 HA ALA A 53 20.783 4.613 -13.881 1.00 4.43 H new ATOM 0 HB1 ALA A 53 19.456 5.996 -15.443 1.00 74.14 H new ATOM 0 HB2 ALA A 53 20.229 6.984 -14.180 1.00 74.14 H new ATOM 0 HB3 ALA A 53 20.911 6.948 -15.824 1.00 74.14 H new ATOM 876 N GLU A 54 22.607 4.415 -16.551 1.00 34.42 N ATOM 877 CA GLU A 54 22.915 3.591 -17.714 1.00 22.23 C ATOM 878 C GLU A 54 23.239 2.159 -17.296 1.00 14.21 C ATOM 879 O GLU A 54 22.767 1.202 -17.908 1.00 75.02 O ATOM 880 CB GLU A 54 24.092 4.185 -18.490 1.00 1.51 C ATOM 881 CG GLU A 54 24.513 3.353 -19.690 1.00 14.43 C ATOM 882 CD GLU A 54 25.561 2.315 -19.341 1.00 3.20 C ATOM 883 OE1 GLU A 54 26.641 2.706 -18.849 1.00 60.51 O ATOM 884 OE2 GLU A 54 25.303 1.113 -19.560 1.00 0.32 O ATOM 0 H GLU A 54 23.318 5.111 -16.326 1.00 34.42 H new ATOM 0 HA GLU A 54 22.036 3.574 -18.358 1.00 22.23 H new ATOM 0 HB2 GLU A 54 23.825 5.186 -18.829 1.00 1.51 H new ATOM 0 HB3 GLU A 54 24.943 4.293 -17.817 1.00 1.51 H new ATOM 0 HG2 GLU A 54 23.638 2.854 -20.107 1.00 14.43 H new ATOM 0 HG3 GLU A 54 24.904 4.012 -20.465 1.00 14.43 H new ATOM 891 N GLU A 55 24.047 2.023 -16.250 1.00 23.44 N ATOM 892 CA GLU A 55 24.435 0.708 -15.751 1.00 51.21 C ATOM 893 C GLU A 55 23.228 -0.039 -15.192 1.00 73.53 C ATOM 894 O GLU A 55 23.067 -1.239 -15.419 1.00 1.03 O ATOM 895 CB GLU A 55 25.509 0.845 -14.670 1.00 63.32 C ATOM 896 CG GLU A 55 25.447 -0.242 -13.610 1.00 0.44 C ATOM 897 CD GLU A 55 26.771 -0.438 -12.897 1.00 0.41 C ATOM 898 OE1 GLU A 55 27.818 -0.423 -13.577 1.00 62.15 O ATOM 899 OE2 GLU A 55 26.760 -0.606 -11.660 1.00 3.43 O ATOM 0 H GLU A 55 24.446 2.806 -15.732 1.00 23.44 H new ATOM 0 HA GLU A 55 24.840 0.136 -16.585 1.00 51.21 H new ATOM 0 HB2 GLU A 55 26.492 0.826 -15.141 1.00 63.32 H new ATOM 0 HB3 GLU A 55 25.406 1.817 -14.188 1.00 63.32 H new ATOM 0 HG2 GLU A 55 24.679 0.012 -12.879 1.00 0.44 H new ATOM 0 HG3 GLU A 55 25.147 -1.181 -14.075 1.00 0.44 H new ATOM 906 N PHE A 56 22.382 0.678 -14.461 1.00 33.15 N ATOM 907 CA PHE A 56 21.190 0.083 -13.867 1.00 54.24 C ATOM 908 C PHE A 56 20.061 1.106 -13.772 1.00 5.22 C ATOM 909 O PHE A 56 19.805 1.689 -12.718 1.00 23.21 O ATOM 910 CB PHE A 56 21.508 -0.472 -12.478 1.00 25.51 C ATOM 911 CG PHE A 56 20.493 -1.462 -11.980 1.00 44.54 C ATOM 912 CD1 PHE A 56 20.098 -2.527 -12.773 1.00 44.01 C ATOM 913 CD2 PHE A 56 19.934 -1.325 -10.720 1.00 70.31 C ATOM 914 CE1 PHE A 56 19.165 -3.439 -12.318 1.00 72.12 C ATOM 915 CE2 PHE A 56 19.000 -2.235 -10.260 1.00 4.53 C ATOM 916 CZ PHE A 56 18.614 -3.292 -11.060 1.00 44.11 C ATOM 0 H PHE A 56 22.499 1.672 -14.265 1.00 33.15 H new ATOM 0 HA PHE A 56 20.864 -0.734 -14.511 1.00 54.24 H new ATOM 0 HB2 PHE A 56 22.488 -0.949 -12.502 1.00 25.51 H new ATOM 0 HB3 PHE A 56 21.574 0.355 -11.771 1.00 25.51 H new ATOM 0 HD1 PHE A 56 20.524 -2.646 -13.758 1.00 44.01 H new ATOM 0 HD2 PHE A 56 20.231 -0.499 -10.091 1.00 70.31 H new ATOM 0 HE1 PHE A 56 18.867 -4.266 -12.945 1.00 72.12 H new ATOM 0 HE2 PHE A 56 18.572 -2.119 -9.275 1.00 4.53 H new ATOM 0 HZ PHE A 56 17.883 -4.002 -10.703 1.00 44.11 H new ATOM 926 N PRO A 57 19.370 1.331 -14.899 1.00 44.12 N ATOM 927 CA PRO A 57 18.258 2.284 -14.969 1.00 65.23 C ATOM 928 C PRO A 57 17.034 1.803 -14.198 1.00 52.23 C ATOM 929 O PRO A 57 16.063 2.543 -14.032 1.00 65.54 O ATOM 930 CB PRO A 57 17.951 2.361 -16.467 1.00 23.21 C ATOM 931 CG PRO A 57 18.426 1.061 -17.018 1.00 62.13 C ATOM 932 CD PRO A 57 19.621 0.672 -16.192 1.00 51.31 C ATOM 0 HA PRO A 57 18.515 3.245 -14.523 1.00 65.23 H new ATOM 0 HB2 PRO A 57 16.885 2.501 -16.646 1.00 23.21 H new ATOM 0 HB3 PRO A 57 18.466 3.201 -16.934 1.00 23.21 H new ATOM 0 HG2 PRO A 57 17.646 0.303 -16.956 1.00 62.13 H new ATOM 0 HG3 PRO A 57 18.694 1.158 -18.070 1.00 62.13 H new ATOM 0 HD2 PRO A 57 19.700 -0.410 -16.083 1.00 51.31 H new ATOM 0 HD3 PRO A 57 20.551 1.015 -16.644 1.00 51.31 H new ATOM 940 N ASP A 58 17.086 0.561 -13.729 1.00 53.42 N ATOM 941 CA ASP A 58 15.981 -0.017 -12.974 1.00 34.40 C ATOM 942 C ASP A 58 15.793 0.707 -11.645 1.00 32.15 C ATOM 943 O ASP A 58 14.669 0.874 -11.170 1.00 42.42 O ATOM 944 CB ASP A 58 16.228 -1.506 -12.727 1.00 61.42 C ATOM 945 CG ASP A 58 15.583 -1.996 -11.445 1.00 44.23 C ATOM 946 OD1 ASP A 58 16.154 -1.749 -10.362 1.00 11.20 O ATOM 947 OD2 ASP A 58 14.508 -2.625 -11.525 1.00 71.13 O ATOM 0 H ASP A 58 17.881 -0.064 -13.858 1.00 53.42 H new ATOM 0 HA ASP A 58 15.071 0.100 -13.563 1.00 34.40 H new ATOM 0 HB2 ASP A 58 15.839 -2.080 -13.568 1.00 61.42 H new ATOM 0 HB3 ASP A 58 17.301 -1.691 -12.684 1.00 61.42 H new ATOM 952 N VAL A 59 16.901 1.134 -11.047 1.00 71.41 N ATOM 953 CA VAL A 59 16.859 1.840 -9.772 1.00 72.23 C ATOM 954 C VAL A 59 16.270 3.237 -9.937 1.00 64.40 C ATOM 955 O VAL A 59 16.551 3.928 -10.916 1.00 42.11 O ATOM 956 CB VAL A 59 18.262 1.956 -9.148 1.00 42.24 C ATOM 957 CG1 VAL A 59 19.134 2.897 -9.966 1.00 61.44 C ATOM 958 CG2 VAL A 59 18.166 2.426 -7.705 1.00 33.33 C ATOM 0 H VAL A 59 17.839 1.003 -11.426 1.00 71.41 H new ATOM 0 HA VAL A 59 16.222 1.256 -9.108 1.00 72.23 H new ATOM 0 HB VAL A 59 18.726 0.970 -9.155 1.00 42.24 H new ATOM 0 HG11 VAL A 59 20.122 2.967 -9.510 1.00 61.44 H new ATOM 0 HG12 VAL A 59 19.230 2.514 -10.982 1.00 61.44 H new ATOM 0 HG13 VAL A 59 18.676 3.886 -9.993 1.00 61.44 H new ATOM 0 HG21 VAL A 59 19.167 2.502 -7.280 1.00 33.33 H new ATOM 0 HG22 VAL A 59 17.682 3.402 -7.672 1.00 33.33 H new ATOM 0 HG23 VAL A 59 17.580 1.711 -7.128 1.00 33.33 H new ATOM 968 N ASP A 60 15.453 3.646 -8.973 1.00 24.32 N ATOM 969 CA ASP A 60 14.826 4.962 -9.010 1.00 32.45 C ATOM 970 C ASP A 60 15.519 5.921 -8.047 1.00 50.24 C ATOM 971 O ASP A 60 15.579 5.672 -6.843 1.00 12.41 O ATOM 972 CB ASP A 60 13.341 4.852 -8.659 1.00 1.02 C ATOM 973 CG ASP A 60 12.723 6.197 -8.330 1.00 21.20 C ATOM 974 OD1 ASP A 60 11.785 6.234 -7.506 1.00 61.51 O ATOM 975 OD2 ASP A 60 13.178 7.213 -8.896 1.00 21.42 O ATOM 0 H ASP A 60 15.209 3.085 -8.156 1.00 24.32 H new ATOM 0 HA ASP A 60 14.925 5.357 -10.021 1.00 32.45 H new ATOM 0 HB2 ASP A 60 12.805 4.404 -9.496 1.00 1.02 H new ATOM 0 HB3 ASP A 60 13.220 4.182 -7.808 1.00 1.02 H new ATOM 980 N ILE A 61 16.042 7.017 -8.587 1.00 53.11 N ATOM 981 CA ILE A 61 16.731 8.013 -7.776 1.00 55.53 C ATOM 982 C ILE A 61 15.742 8.830 -6.951 1.00 74.21 C ATOM 983 O ILE A 61 14.676 9.210 -7.437 1.00 43.05 O ATOM 984 CB ILE A 61 17.566 8.969 -8.648 1.00 50.15 C ATOM 985 CG1 ILE A 61 18.610 8.185 -9.446 1.00 50.23 C ATOM 986 CG2 ILE A 61 18.236 10.026 -7.783 1.00 64.05 C ATOM 987 CD1 ILE A 61 18.594 8.492 -10.927 1.00 42.34 C ATOM 0 H ILE A 61 16.002 7.237 -9.582 1.00 53.11 H new ATOM 0 HA ILE A 61 17.397 7.469 -7.107 1.00 55.53 H new ATOM 0 HB ILE A 61 16.901 9.471 -9.351 1.00 50.15 H new ATOM 0 HG12 ILE A 61 19.601 8.406 -9.048 1.00 50.23 H new ATOM 0 HG13 ILE A 61 18.439 7.118 -9.302 1.00 50.23 H new ATOM 0 HG21 ILE A 61 18.822 10.694 -8.414 1.00 64.05 H new ATOM 0 HG22 ILE A 61 17.475 10.600 -7.255 1.00 64.05 H new ATOM 0 HG23 ILE A 61 18.892 9.542 -7.059 1.00 64.05 H new ATOM 0 HD11 ILE A 61 19.360 7.901 -11.429 1.00 42.34 H new ATOM 0 HD12 ILE A 61 17.616 8.245 -11.339 1.00 42.34 H new ATOM 0 HD13 ILE A 61 18.795 9.552 -11.081 1.00 42.34 H new ATOM 999 N TYR A 62 16.102 9.097 -5.701 1.00 1.21 N ATOM 1000 CA TYR A 62 15.246 9.868 -4.807 1.00 43.41 C ATOM 1001 C TYR A 62 16.049 10.937 -4.072 1.00 2.21 C ATOM 1002 O TYR A 62 16.945 10.627 -3.285 1.00 72.32 O ATOM 1003 CB TYR A 62 14.563 8.944 -3.798 1.00 53.11 C ATOM 1004 CG TYR A 62 13.503 9.632 -2.968 1.00 10.33 C ATOM 1005 CD1 TYR A 62 12.386 10.203 -3.566 1.00 1.11 C ATOM 1006 CD2 TYR A 62 13.619 9.713 -1.586 1.00 33.24 C ATOM 1007 CE1 TYR A 62 11.416 10.834 -2.811 1.00 74.45 C ATOM 1008 CE2 TYR A 62 12.652 10.340 -0.823 1.00 65.12 C ATOM 1009 CZ TYR A 62 11.553 10.899 -1.441 1.00 20.14 C ATOM 1010 OH TYR A 62 10.589 11.526 -0.685 1.00 20.33 O ATOM 0 H TYR A 62 16.981 8.791 -5.283 1.00 1.21 H new ATOM 0 HA TYR A 62 14.485 10.362 -5.411 1.00 43.41 H new ATOM 0 HB2 TYR A 62 14.109 8.109 -4.332 1.00 53.11 H new ATOM 0 HB3 TYR A 62 15.318 8.525 -3.133 1.00 53.11 H new ATOM 0 HD1 TYR A 62 12.274 10.153 -4.639 1.00 1.11 H new ATOM 0 HD2 TYR A 62 14.480 9.279 -1.099 1.00 33.24 H new ATOM 0 HE1 TYR A 62 10.555 11.274 -3.292 1.00 74.45 H new ATOM 0 HE2 TYR A 62 12.756 10.392 0.251 1.00 65.12 H new ATOM 0 HH TYR A 62 9.721 11.099 -0.842 1.00 20.33 H new ATOM 1020 N LEU A 63 15.722 12.198 -4.333 1.00 72.23 N ATOM 1021 CA LEU A 63 16.411 13.315 -3.697 1.00 12.12 C ATOM 1022 C LEU A 63 15.587 13.877 -2.543 1.00 14.01 C ATOM 1023 O LEU A 63 14.377 14.068 -2.666 1.00 35.45 O ATOM 1024 CB LEU A 63 16.693 14.416 -4.721 1.00 31.03 C ATOM 1025 CG LEU A 63 18.076 14.388 -5.373 1.00 33.14 C ATOM 1026 CD1 LEU A 63 19.161 14.617 -4.332 1.00 41.23 C ATOM 1027 CD2 LEU A 63 18.298 13.067 -6.096 1.00 12.54 C ATOM 0 H LEU A 63 14.984 12.472 -4.981 1.00 72.23 H new ATOM 0 HA LEU A 63 17.357 12.947 -3.299 1.00 12.12 H new ATOM 0 HB2 LEU A 63 15.941 14.354 -5.508 1.00 31.03 H new ATOM 0 HB3 LEU A 63 16.563 15.381 -4.232 1.00 31.03 H new ATOM 0 HG LEU A 63 18.128 15.193 -6.106 1.00 33.14 H new ATOM 0 HD11 LEU A 63 20.138 14.594 -4.814 1.00 41.23 H new ATOM 0 HD12 LEU A 63 19.013 15.588 -3.859 1.00 41.23 H new ATOM 0 HD13 LEU A 63 19.111 13.834 -3.576 1.00 41.23 H new ATOM 0 HD21 LEU A 63 19.287 13.065 -6.554 1.00 12.54 H new ATOM 0 HD22 LEU A 63 18.226 12.246 -5.383 1.00 12.54 H new ATOM 0 HD23 LEU A 63 17.540 12.944 -6.869 1.00 12.54 H new ATOM 1039 N VAL A 64 16.251 14.143 -1.422 1.00 74.53 N ATOM 1040 CA VAL A 64 15.580 14.686 -0.247 1.00 44.11 C ATOM 1041 C VAL A 64 16.334 15.890 0.308 1.00 70.33 C ATOM 1042 O VAL A 64 17.564 15.899 0.350 1.00 24.02 O ATOM 1043 CB VAL A 64 15.442 13.625 0.861 1.00 2.40 C ATOM 1044 CG1 VAL A 64 14.559 14.141 1.987 1.00 3.31 C ATOM 1045 CG2 VAL A 64 14.889 12.328 0.290 1.00 1.34 C ATOM 0 H VAL A 64 17.253 13.991 -1.303 1.00 74.53 H new ATOM 0 HA VAL A 64 14.586 14.999 -0.566 1.00 44.11 H new ATOM 0 HB VAL A 64 16.431 13.422 1.271 1.00 2.40 H new ATOM 0 HG11 VAL A 64 14.473 13.378 2.761 1.00 3.31 H new ATOM 0 HG12 VAL A 64 15.002 15.041 2.413 1.00 3.31 H new ATOM 0 HG13 VAL A 64 13.569 14.374 1.595 1.00 3.31 H new ATOM 0 HG21 VAL A 64 14.798 11.589 1.086 1.00 1.34 H new ATOM 0 HG22 VAL A 64 13.908 12.512 -0.148 1.00 1.34 H new ATOM 0 HG23 VAL A 64 15.564 11.952 -0.478 1.00 1.34 H new ATOM 1055 N ASP A 65 15.588 16.903 0.732 1.00 12.43 N ATOM 1056 CA ASP A 65 16.185 18.113 1.287 1.00 61.33 C ATOM 1057 C ASP A 65 15.780 18.299 2.746 1.00 41.34 C ATOM 1058 O ASP A 65 14.593 18.335 3.073 1.00 42.35 O ATOM 1059 CB ASP A 65 15.767 19.335 0.468 1.00 10.11 C ATOM 1060 CG ASP A 65 14.411 19.158 -0.186 1.00 33.33 C ATOM 1061 OD1 ASP A 65 14.354 19.115 -1.433 1.00 33.03 O ATOM 1062 OD2 ASP A 65 13.406 19.061 0.550 1.00 63.24 O ATOM 0 H ASP A 65 14.568 16.911 0.702 1.00 12.43 H new ATOM 0 HA ASP A 65 17.269 18.008 1.241 1.00 61.33 H new ATOM 0 HB2 ASP A 65 15.743 20.212 1.115 1.00 10.11 H new ATOM 0 HB3 ASP A 65 16.516 19.527 -0.301 1.00 10.11 H new ATOM 1067 N THR A 66 16.774 18.417 3.620 1.00 24.43 N ATOM 1068 CA THR A 66 16.522 18.597 5.044 1.00 22.14 C ATOM 1069 C THR A 66 15.617 19.798 5.295 1.00 63.13 C ATOM 1070 O THR A 66 14.964 19.889 6.334 1.00 71.20 O ATOM 1071 CB THR A 66 17.835 18.785 5.828 1.00 50.51 C ATOM 1072 OG1 THR A 66 18.824 19.392 4.988 1.00 31.52 O ATOM 1073 CG2 THR A 66 18.351 17.452 6.347 1.00 4.22 C ATOM 0 H THR A 66 17.762 18.391 3.367 1.00 24.43 H new ATOM 0 HA THR A 66 16.025 17.692 5.394 1.00 22.14 H new ATOM 0 HB THR A 66 17.634 19.435 6.680 1.00 50.51 H new ATOM 0 HG1 THR A 66 19.655 19.510 5.494 1.00 31.52 H new ATOM 0 HG21 THR A 66 19.279 17.610 6.897 1.00 4.22 H new ATOM 0 HG22 THR A 66 17.608 17.007 7.009 1.00 4.22 H new ATOM 0 HG23 THR A 66 18.537 16.782 5.508 1.00 4.22 H new ATOM 1081 N SER A 67 15.583 20.717 4.336 1.00 42.54 N ATOM 1082 CA SER A 67 14.760 21.915 4.454 1.00 40.30 C ATOM 1083 C SER A 67 13.324 21.553 4.821 1.00 2.55 C ATOM 1084 O SER A 67 12.614 22.340 5.449 1.00 32.30 O ATOM 1085 CB SER A 67 14.780 22.705 3.144 1.00 74.34 C ATOM 1086 OG SER A 67 14.870 24.098 3.389 1.00 74.53 O ATOM 0 H SER A 67 16.116 20.655 3.468 1.00 42.54 H new ATOM 0 HA SER A 67 15.175 22.534 5.249 1.00 40.30 H new ATOM 0 HB2 SER A 67 15.626 22.384 2.535 1.00 74.34 H new ATOM 0 HB3 SER A 67 13.877 22.491 2.573 1.00 74.34 H new ATOM 0 HG SER A 67 14.883 24.580 2.536 1.00 74.53 H new ATOM 1092 N THR A 68 12.902 20.356 4.426 1.00 43.43 N ATOM 1093 CA THR A 68 11.552 19.889 4.711 1.00 13.13 C ATOM 1094 C THR A 68 11.554 18.846 5.823 1.00 64.12 C ATOM 1095 O THR A 68 10.580 18.710 6.562 1.00 44.40 O ATOM 1096 CB THR A 68 10.889 19.286 3.458 1.00 1.13 C ATOM 1097 OG1 THR A 68 11.754 18.309 2.869 1.00 21.31 O ATOM 1098 CG2 THR A 68 10.572 20.370 2.439 1.00 32.02 C ATOM 0 H THR A 68 13.477 19.692 3.907 1.00 43.43 H new ATOM 0 HA THR A 68 10.979 20.758 5.033 1.00 13.13 H new ATOM 0 HB THR A 68 9.956 18.810 3.760 1.00 1.13 H new ATOM 0 HG1 THR A 68 12.232 18.709 2.113 1.00 21.31 H new ATOM 0 HG21 THR A 68 10.105 19.920 1.563 1.00 32.02 H new ATOM 0 HG22 THR A 68 9.891 21.097 2.881 1.00 32.02 H new ATOM 0 HG23 THR A 68 11.493 20.871 2.142 1.00 32.02 H new ATOM 1106 N ASN A 69 12.656 18.111 5.935 1.00 30.25 N ATOM 1107 CA ASN A 69 12.785 17.079 6.958 1.00 60.10 C ATOM 1108 C ASN A 69 14.062 17.274 7.770 1.00 40.14 C ATOM 1109 O ASN A 69 14.975 16.448 7.745 1.00 0.51 O ATOM 1110 CB ASN A 69 12.784 15.691 6.314 1.00 34.14 C ATOM 1111 CG ASN A 69 13.921 15.510 5.327 1.00 14.04 C ATOM 1112 OD1 ASN A 69 13.942 16.135 4.267 1.00 60.32 O ATOM 1113 ND2 ASN A 69 14.873 14.652 5.673 1.00 20.41 N ATOM 0 H ASN A 69 13.472 18.211 5.331 1.00 30.25 H new ATOM 0 HA ASN A 69 11.932 17.161 7.631 1.00 60.10 H new ATOM 0 HB2 ASN A 69 12.859 14.932 7.093 1.00 34.14 H new ATOM 0 HB3 ASN A 69 11.834 15.531 5.803 1.00 34.14 H new ATOM 0 HD21 ASN A 69 15.664 14.489 5.050 1.00 20.41 H new ATOM 0 HD22 ASN A 69 14.814 14.156 6.562 1.00 20.41 H new ATOM 1120 N PRO A 70 14.129 18.392 8.507 1.00 2.33 N ATOM 1121 CA PRO A 70 15.289 18.722 9.341 1.00 33.05 C ATOM 1122 C PRO A 70 15.414 17.800 10.550 1.00 44.33 C ATOM 1123 O PRO A 70 16.502 17.318 10.862 1.00 22.44 O ATOM 1124 CB PRO A 70 15.006 20.157 9.791 1.00 15.51 C ATOM 1125 CG PRO A 70 13.523 20.288 9.729 1.00 12.41 C ATOM 1126 CD PRO A 70 13.078 19.421 8.584 1.00 20.33 C ATOM 0 HA PRO A 70 16.227 18.608 8.798 1.00 33.05 H new ATOM 0 HB2 PRO A 70 15.377 20.336 10.800 1.00 15.51 H new ATOM 0 HB3 PRO A 70 15.495 20.880 9.138 1.00 15.51 H new ATOM 0 HG2 PRO A 70 13.063 19.966 10.664 1.00 12.41 H new ATOM 0 HG3 PRO A 70 13.229 21.326 9.570 1.00 12.41 H new ATOM 0 HD2 PRO A 70 12.098 18.981 8.770 1.00 20.33 H new ATOM 0 HD3 PRO A 70 13.002 19.988 7.656 1.00 20.33 H new ATOM 1134 N GLU A 71 14.294 17.560 11.224 1.00 3.45 N ATOM 1135 CA GLU A 71 14.281 16.696 12.399 1.00 41.21 C ATOM 1136 C GLU A 71 14.744 15.286 12.042 1.00 12.53 C ATOM 1137 O GLU A 71 15.385 14.610 12.846 1.00 12.32 O ATOM 1138 CB GLU A 71 12.878 16.646 13.007 1.00 72.23 C ATOM 1139 CG GLU A 71 12.620 17.735 14.034 1.00 52.42 C ATOM 1140 CD GLU A 71 11.211 17.688 14.594 1.00 63.24 C ATOM 1141 OE1 GLU A 71 10.853 16.662 15.210 1.00 1.41 O ATOM 1142 OE2 GLU A 71 10.468 18.675 14.415 1.00 33.23 O ATOM 0 H GLU A 71 13.385 17.951 10.977 1.00 3.45 H new ATOM 0 HA GLU A 71 14.972 17.112 13.132 1.00 41.21 H new ATOM 0 HB2 GLU A 71 12.142 16.731 12.208 1.00 72.23 H new ATOM 0 HB3 GLU A 71 12.729 15.673 13.476 1.00 72.23 H new ATOM 0 HG2 GLU A 71 13.335 17.635 14.851 1.00 52.42 H new ATOM 0 HG3 GLU A 71 12.793 18.709 13.576 1.00 52.42 H new ATOM 1149 N ALA A 72 14.413 14.850 10.831 1.00 0.14 N ATOM 1150 CA ALA A 72 14.795 13.522 10.367 1.00 2.31 C ATOM 1151 C ALA A 72 16.288 13.280 10.565 1.00 53.10 C ATOM 1152 O ALA A 72 16.695 12.228 11.058 1.00 43.21 O ATOM 1153 CB ALA A 72 14.420 13.347 8.903 1.00 34.21 C ATOM 0 H ALA A 72 13.881 15.397 10.154 1.00 0.14 H new ATOM 0 HA ALA A 72 14.252 12.786 10.961 1.00 2.31 H new ATOM 0 HB1 ALA A 72 14.711 12.351 8.569 1.00 34.21 H new ATOM 0 HB2 ALA A 72 13.343 13.469 8.786 1.00 34.21 H new ATOM 0 HB3 ALA A 72 14.937 14.096 8.303 1.00 34.21 H new ATOM 1159 N ARG A 73 17.098 14.259 10.177 1.00 50.40 N ATOM 1160 CA ARG A 73 18.546 14.151 10.310 1.00 13.12 C ATOM 1161 C ARG A 73 18.932 13.747 11.730 1.00 3.41 C ATOM 1162 O ARG A 73 19.571 12.717 11.940 1.00 71.22 O ATOM 1163 CB ARG A 73 19.213 15.478 9.946 1.00 5.53 C ATOM 1164 CG ARG A 73 20.135 15.387 8.741 1.00 74.52 C ATOM 1165 CD ARG A 73 21.585 15.628 9.128 1.00 21.03 C ATOM 1166 NE ARG A 73 21.769 16.921 9.783 1.00 70.45 N ATOM 1167 CZ ARG A 73 22.956 17.487 9.971 1.00 72.31 C ATOM 1168 NH1 ARG A 73 24.058 16.877 9.557 1.00 50.34 N ATOM 1169 NH2 ARG A 73 23.042 18.665 10.575 1.00 52.35 N ATOM 0 H ARG A 73 16.776 15.136 9.768 1.00 50.40 H new ATOM 0 HA ARG A 73 18.893 13.378 9.624 1.00 13.12 H new ATOM 0 HB2 ARG A 73 18.440 16.220 9.746 1.00 5.53 H new ATOM 0 HB3 ARG A 73 19.784 15.835 10.803 1.00 5.53 H new ATOM 0 HG2 ARG A 73 20.039 14.403 8.282 1.00 74.52 H new ATOM 0 HG3 ARG A 73 19.831 16.119 7.993 1.00 74.52 H new ATOM 0 HD2 ARG A 73 21.919 14.833 9.795 1.00 21.03 H new ATOM 0 HD3 ARG A 73 22.211 15.581 8.237 1.00 21.03 H new ATOM 0 HE ARG A 73 20.941 17.416 10.114 1.00 70.45 H new ATOM 0 HH11 ARG A 73 23.996 15.971 9.093 1.00 50.34 H new ATOM 0 HH12 ARG A 73 24.968 17.314 9.703 1.00 50.34 H new ATOM 0 HH21 ARG A 73 22.196 19.137 10.895 1.00 52.35 H new ATOM 0 HH22 ARG A 73 23.954 19.099 10.719 1.00 52.35 H new ATOM 1183 N GLU A 74 18.541 14.568 12.700 1.00 31.54 N ATOM 1184 CA GLU A 74 18.848 14.296 14.100 1.00 61.33 C ATOM 1185 C GLU A 74 18.202 12.991 14.555 1.00 32.51 C ATOM 1186 O GLU A 74 18.712 12.311 15.445 1.00 21.34 O ATOM 1187 CB GLU A 74 18.370 15.450 14.983 1.00 21.23 C ATOM 1188 CG GLU A 74 19.269 15.713 16.180 1.00 71.12 C ATOM 1189 CD GLU A 74 20.709 15.974 15.782 1.00 73.13 C ATOM 1190 OE1 GLU A 74 20.932 16.463 14.655 1.00 45.43 O ATOM 1191 OE2 GLU A 74 21.611 15.689 16.596 1.00 21.32 O ATOM 0 H GLU A 74 18.012 15.426 12.543 1.00 31.54 H new ATOM 0 HA GLU A 74 19.929 14.198 14.196 1.00 61.33 H new ATOM 0 HB2 GLU A 74 18.307 16.356 14.380 1.00 21.23 H new ATOM 0 HB3 GLU A 74 17.362 15.232 15.337 1.00 21.23 H new ATOM 0 HG2 GLU A 74 18.888 16.571 16.734 1.00 71.12 H new ATOM 0 HG3 GLU A 74 19.232 14.856 16.853 1.00 71.12 H new ATOM 1198 N TRP A 75 17.077 12.648 13.938 1.00 15.24 N ATOM 1199 CA TRP A 75 16.359 11.425 14.280 1.00 4.04 C ATOM 1200 C TRP A 75 17.294 10.221 14.256 1.00 25.00 C ATOM 1201 O TRP A 75 17.120 9.272 15.021 1.00 74.24 O ATOM 1202 CB TRP A 75 15.197 11.203 13.312 1.00 52.24 C ATOM 1203 CG TRP A 75 14.057 10.441 13.916 1.00 30.43 C ATOM 1204 CD1 TRP A 75 14.103 9.185 14.451 1.00 22.12 C ATOM 1205 CD2 TRP A 75 12.702 10.884 14.046 1.00 51.52 C ATOM 1206 NE1 TRP A 75 12.858 8.821 14.905 1.00 3.34 N ATOM 1207 CE2 TRP A 75 11.982 9.847 14.669 1.00 35.12 C ATOM 1208 CE3 TRP A 75 12.028 12.058 13.698 1.00 75.12 C ATOM 1209 CZ2 TRP A 75 10.622 9.949 14.949 1.00 15.34 C ATOM 1210 CZ3 TRP A 75 10.678 12.158 13.976 1.00 33.22 C ATOM 1211 CH2 TRP A 75 9.986 11.109 14.598 1.00 44.34 C ATOM 0 H TRP A 75 16.642 13.199 13.198 1.00 15.24 H new ATOM 0 HA TRP A 75 15.964 11.535 15.290 1.00 4.04 H new ATOM 0 HB2 TRP A 75 14.834 12.170 12.964 1.00 52.24 H new ATOM 0 HB3 TRP A 75 15.561 10.665 12.437 1.00 52.24 H new ATOM 0 HD1 TRP A 75 14.988 8.569 14.509 1.00 22.12 H new ATOM 0 HE1 TRP A 75 12.624 7.931 15.346 1.00 3.34 H new ATOM 0 HE3 TRP A 75 12.553 12.872 13.220 1.00 75.12 H new ATOM 0 HZ2 TRP A 75 10.088 9.141 15.426 1.00 15.34 H new ATOM 0 HZ3 TRP A 75 10.147 13.060 13.710 1.00 33.22 H new ATOM 0 HH2 TRP A 75 8.931 11.218 14.804 1.00 44.34 H new ATOM 1222 N TYR A 76 18.287 10.266 13.374 1.00 31.13 N ATOM 1223 CA TYR A 76 19.248 9.177 13.249 1.00 23.15 C ATOM 1224 C TYR A 76 20.678 9.697 13.363 1.00 21.22 C ATOM 1225 O TYR A 76 21.638 8.943 13.212 1.00 23.32 O ATOM 1226 CB TYR A 76 19.061 8.454 11.914 1.00 24.05 C ATOM 1227 CG TYR A 76 19.864 7.178 11.799 1.00 31.34 C ATOM 1228 CD1 TYR A 76 19.899 6.260 12.842 1.00 32.30 C ATOM 1229 CD2 TYR A 76 20.588 6.890 10.649 1.00 12.10 C ATOM 1230 CE1 TYR A 76 20.631 5.093 12.742 1.00 61.42 C ATOM 1231 CE2 TYR A 76 21.322 5.725 10.539 1.00 34.15 C ATOM 1232 CZ TYR A 76 21.340 4.829 11.588 1.00 4.55 C ATOM 1233 OH TYR A 76 22.071 3.668 11.484 1.00 43.32 O ATOM 0 H TYR A 76 18.447 11.045 12.735 1.00 31.13 H new ATOM 0 HA TYR A 76 19.070 8.474 14.063 1.00 23.15 H new ATOM 0 HB2 TYR A 76 18.004 8.222 11.781 1.00 24.05 H new ATOM 0 HB3 TYR A 76 19.344 9.126 11.104 1.00 24.05 H new ATOM 0 HD1 TYR A 76 19.344 6.463 13.746 1.00 32.30 H new ATOM 0 HD2 TYR A 76 20.577 7.589 9.826 1.00 12.10 H new ATOM 0 HE1 TYR A 76 20.648 4.391 13.563 1.00 61.42 H new ATOM 0 HE2 TYR A 76 21.879 5.517 9.637 1.00 34.15 H new ATOM 0 HH TYR A 76 22.510 3.635 10.608 1.00 43.32 H new ATOM 1243 N ASN A 77 20.810 10.992 13.631 1.00 23.24 N ATOM 1244 CA ASN A 77 22.122 11.614 13.766 1.00 2.50 C ATOM 1245 C ASN A 77 23.006 11.286 12.567 1.00 61.43 C ATOM 1246 O ASN A 77 23.761 10.313 12.587 1.00 34.32 O ATOM 1247 CB ASN A 77 22.801 11.150 15.056 1.00 35.53 C ATOM 1248 CG ASN A 77 24.281 11.477 15.081 1.00 21.44 C ATOM 1249 OD1 ASN A 77 25.123 10.586 15.198 1.00 70.14 O ATOM 1250 ND2 ASN A 77 24.605 12.760 14.972 1.00 24.34 N ATOM 0 H ASN A 77 20.025 11.631 13.759 1.00 23.24 H new ATOM 0 HA ASN A 77 21.981 12.694 13.806 1.00 2.50 H new ATOM 0 HB2 ASN A 77 22.313 11.621 15.910 1.00 35.53 H new ATOM 0 HB3 ASN A 77 22.668 10.074 15.167 1.00 35.53 H new ATOM 0 HD21 ASN A 77 25.585 13.041 14.983 1.00 24.34 H new ATOM 0 HD22 ASN A 77 23.873 13.464 14.877 1.00 24.34 H new ATOM 1257 N ILE A 78 22.907 12.103 11.524 1.00 2.41 N ATOM 1258 CA ILE A 78 23.699 11.900 10.317 1.00 13.40 C ATOM 1259 C ILE A 78 24.879 12.864 10.265 1.00 3.12 C ATOM 1260 O ILE A 78 24.717 14.073 10.433 1.00 54.34 O ATOM 1261 CB ILE A 78 22.846 12.082 9.047 1.00 11.35 C ATOM 1262 CG1 ILE A 78 21.846 10.933 8.910 1.00 73.34 C ATOM 1263 CG2 ILE A 78 23.738 12.166 7.818 1.00 52.02 C ATOM 1264 CD1 ILE A 78 20.409 11.392 8.798 1.00 12.03 C ATOM 0 H ILE A 78 22.286 12.912 11.490 1.00 2.41 H new ATOM 0 HA ILE A 78 24.071 10.876 10.352 1.00 13.40 H new ATOM 0 HB ILE A 78 22.289 13.015 9.131 1.00 11.35 H new ATOM 0 HG12 ILE A 78 22.100 10.344 8.029 1.00 73.34 H new ATOM 0 HG13 ILE A 78 21.942 10.274 9.773 1.00 73.34 H new ATOM 0 HG21 ILE A 78 23.121 12.294 6.929 1.00 52.02 H new ATOM 0 HG22 ILE A 78 24.414 13.015 7.916 1.00 52.02 H new ATOM 0 HG23 ILE A 78 24.319 11.248 7.727 1.00 52.02 H new ATOM 0 HD11 ILE A 78 19.756 10.524 8.704 1.00 12.03 H new ATOM 0 HD12 ILE A 78 20.137 11.956 9.690 1.00 12.03 H new ATOM 0 HD13 ILE A 78 20.297 12.027 7.919 1.00 12.03 H new ATOM 1276 N THR A 79 26.070 12.321 10.030 1.00 32.04 N ATOM 1277 CA THR A 79 27.279 13.132 9.955 1.00 35.25 C ATOM 1278 C THR A 79 27.750 13.284 8.514 1.00 52.32 C ATOM 1279 O THR A 79 28.392 14.274 8.162 1.00 21.31 O ATOM 1280 CB THR A 79 28.417 12.522 10.794 1.00 23.51 C ATOM 1281 OG1 THR A 79 28.354 11.092 10.740 1.00 40.05 O ATOM 1282 CG2 THR A 79 28.331 12.983 12.241 1.00 1.10 C ATOM 0 H THR A 79 26.223 11.323 9.888 1.00 32.04 H new ATOM 0 HA THR A 79 27.027 14.113 10.357 1.00 35.25 H new ATOM 0 HB THR A 79 29.366 12.860 10.377 1.00 23.51 H new ATOM 0 HG1 THR A 79 29.082 10.712 11.275 1.00 40.05 H new ATOM 0 HG21 THR A 79 29.145 12.539 12.813 1.00 1.10 H new ATOM 0 HG22 THR A 79 28.409 14.069 12.282 1.00 1.10 H new ATOM 0 HG23 THR A 79 27.377 12.672 12.666 1.00 1.10 H new ATOM 1290 N SER A 80 27.426 12.299 7.683 1.00 62.41 N ATOM 1291 CA SER A 80 27.820 12.322 6.279 1.00 54.20 C ATOM 1292 C SER A 80 26.674 12.819 5.402 1.00 22.21 C ATOM 1293 O SER A 80 25.824 12.040 4.972 1.00 74.24 O ATOM 1294 CB SER A 80 28.256 10.927 5.826 1.00 11.42 C ATOM 1295 OG SER A 80 27.949 9.953 6.809 1.00 42.25 O ATOM 0 H SER A 80 26.892 11.475 7.957 1.00 62.41 H new ATOM 0 HA SER A 80 28.660 13.009 6.174 1.00 54.20 H new ATOM 0 HB2 SER A 80 27.759 10.673 4.890 1.00 11.42 H new ATOM 0 HB3 SER A 80 29.328 10.924 5.628 1.00 11.42 H new ATOM 0 HG SER A 80 28.742 9.405 6.986 1.00 42.25 H new ATOM 1301 N VAL A 81 26.659 14.122 5.141 1.00 0.24 N ATOM 1302 CA VAL A 81 25.620 14.725 4.315 1.00 34.42 C ATOM 1303 C VAL A 81 25.207 13.791 3.183 1.00 64.40 C ATOM 1304 O VAL A 81 24.044 13.409 3.052 1.00 41.33 O ATOM 1305 CB VAL A 81 26.085 16.065 3.716 1.00 1.25 C ATOM 1306 CG1 VAL A 81 25.078 17.164 4.019 1.00 33.12 C ATOM 1307 CG2 VAL A 81 27.463 16.434 4.244 1.00 23.03 C ATOM 0 H VAL A 81 27.355 14.781 5.490 1.00 0.24 H new ATOM 0 HA VAL A 81 24.764 14.904 4.965 1.00 34.42 H new ATOM 0 HB VAL A 81 26.152 15.955 2.634 1.00 1.25 H new ATOM 0 HG11 VAL A 81 25.424 18.103 3.588 1.00 33.12 H new ATOM 0 HG12 VAL A 81 24.112 16.901 3.588 1.00 33.12 H new ATOM 0 HG13 VAL A 81 24.976 17.276 5.098 1.00 33.12 H new ATOM 0 HG21 VAL A 81 27.776 17.384 3.810 1.00 23.03 H new ATOM 0 HG22 VAL A 81 27.424 16.526 5.329 1.00 23.03 H new ATOM 0 HG23 VAL A 81 28.177 15.657 3.971 1.00 23.03 H new ATOM 1317 N PRO A 82 26.183 13.411 2.344 1.00 11.50 N ATOM 1318 CA PRO A 82 25.946 12.516 1.208 1.00 41.02 C ATOM 1319 C PRO A 82 25.637 11.089 1.649 1.00 55.54 C ATOM 1320 O PRO A 82 26.490 10.205 1.572 1.00 5.33 O ATOM 1321 CB PRO A 82 27.268 12.563 0.438 1.00 62.22 C ATOM 1322 CG PRO A 82 28.289 12.925 1.460 1.00 24.12 C ATOM 1323 CD PRO A 82 27.592 13.827 2.440 1.00 2.34 C ATOM 0 HA PRO A 82 25.082 12.825 0.619 1.00 41.02 H new ATOM 0 HB2 PRO A 82 27.492 11.601 -0.022 1.00 62.22 H new ATOM 0 HB3 PRO A 82 27.233 13.300 -0.365 1.00 62.22 H new ATOM 0 HG2 PRO A 82 28.677 12.035 1.956 1.00 24.12 H new ATOM 0 HG3 PRO A 82 29.139 13.430 1.001 1.00 24.12 H new ATOM 0 HD2 PRO A 82 27.981 13.699 3.450 1.00 2.34 H new ATOM 0 HD3 PRO A 82 27.719 14.878 2.180 1.00 2.34 H new ATOM 1331 N THR A 83 24.409 10.871 2.110 1.00 21.42 N ATOM 1332 CA THR A 83 23.987 9.552 2.564 1.00 61.50 C ATOM 1333 C THR A 83 23.184 8.831 1.487 1.00 22.53 C ATOM 1334 O THR A 83 22.660 9.457 0.566 1.00 62.43 O ATOM 1335 CB THR A 83 23.138 9.643 3.846 1.00 4.41 C ATOM 1336 OG1 THR A 83 22.833 11.012 4.134 1.00 10.34 O ATOM 1337 CG2 THR A 83 23.871 9.023 5.026 1.00 63.31 C ATOM 0 H THR A 83 23.690 11.591 2.179 1.00 21.42 H new ATOM 0 HA THR A 83 24.894 8.987 2.778 1.00 61.50 H new ATOM 0 HB THR A 83 22.213 9.091 3.683 1.00 4.41 H new ATOM 0 HG1 THR A 83 23.643 11.470 4.442 1.00 10.34 H new ATOM 0 HG21 THR A 83 23.252 9.099 5.920 1.00 63.31 H new ATOM 0 HG22 THR A 83 24.077 7.974 4.816 1.00 63.31 H new ATOM 0 HG23 THR A 83 24.810 9.551 5.189 1.00 63.31 H new ATOM 1345 N PHE A 84 23.091 7.511 1.610 1.00 73.43 N ATOM 1346 CA PHE A 84 22.351 6.704 0.646 1.00 60.10 C ATOM 1347 C PHE A 84 21.561 5.604 1.350 1.00 50.43 C ATOM 1348 O PHE A 84 22.137 4.685 1.931 1.00 64.34 O ATOM 1349 CB PHE A 84 23.308 6.086 -0.375 1.00 64.11 C ATOM 1350 CG PHE A 84 23.505 6.931 -1.601 1.00 0.42 C ATOM 1351 CD1 PHE A 84 23.022 6.515 -2.831 1.00 14.03 C ATOM 1352 CD2 PHE A 84 24.174 8.142 -1.523 1.00 51.42 C ATOM 1353 CE1 PHE A 84 23.200 7.291 -3.961 1.00 25.14 C ATOM 1354 CE2 PHE A 84 24.355 8.923 -2.649 1.00 64.44 C ATOM 1355 CZ PHE A 84 23.869 8.496 -3.870 1.00 22.22 C ATOM 0 H PHE A 84 23.518 6.978 2.367 1.00 73.43 H new ATOM 0 HA PHE A 84 21.649 7.356 0.127 1.00 60.10 H new ATOM 0 HB2 PHE A 84 24.275 5.919 0.100 1.00 64.11 H new ATOM 0 HB3 PHE A 84 22.926 5.110 -0.674 1.00 64.11 H new ATOM 0 HD1 PHE A 84 22.500 5.573 -2.908 1.00 14.03 H new ATOM 0 HD2 PHE A 84 24.558 8.479 -0.572 1.00 51.42 H new ATOM 0 HE1 PHE A 84 22.817 6.956 -4.913 1.00 25.14 H new ATOM 0 HE2 PHE A 84 24.876 9.866 -2.575 1.00 64.44 H new ATOM 0 HZ PHE A 84 24.012 9.103 -4.752 1.00 22.22 H new ATOM 1365 N VAL A 85 20.237 5.707 1.294 1.00 72.15 N ATOM 1366 CA VAL A 85 19.366 4.722 1.924 1.00 3.04 C ATOM 1367 C VAL A 85 18.684 3.844 0.882 1.00 54.13 C ATOM 1368 O VAL A 85 18.144 4.342 -0.106 1.00 54.54 O ATOM 1369 CB VAL A 85 18.290 5.399 2.794 1.00 41.24 C ATOM 1370 CG1 VAL A 85 17.515 4.360 3.590 1.00 43.30 C ATOM 1371 CG2 VAL A 85 18.922 6.429 3.718 1.00 64.32 C ATOM 0 H VAL A 85 19.744 6.463 0.819 1.00 72.15 H new ATOM 0 HA VAL A 85 19.998 4.101 2.559 1.00 3.04 H new ATOM 0 HB VAL A 85 17.589 5.915 2.138 1.00 41.24 H new ATOM 0 HG11 VAL A 85 16.759 4.857 4.198 1.00 43.30 H new ATOM 0 HG12 VAL A 85 17.030 3.665 2.905 1.00 43.30 H new ATOM 0 HG13 VAL A 85 18.200 3.813 4.238 1.00 43.30 H new ATOM 0 HG21 VAL A 85 18.147 6.897 4.325 1.00 64.32 H new ATOM 0 HG22 VAL A 85 19.646 5.938 4.369 1.00 64.32 H new ATOM 0 HG23 VAL A 85 19.426 7.190 3.123 1.00 64.32 H new ATOM 1381 N ILE A 86 18.711 2.535 1.109 1.00 40.22 N ATOM 1382 CA ILE A 86 18.093 1.588 0.190 1.00 61.25 C ATOM 1383 C ILE A 86 16.837 0.972 0.797 1.00 63.21 C ATOM 1384 O ILE A 86 16.862 0.470 1.920 1.00 12.01 O ATOM 1385 CB ILE A 86 19.069 0.461 -0.197 1.00 73.42 C ATOM 1386 CG1 ILE A 86 20.497 1.002 -0.291 1.00 54.34 C ATOM 1387 CG2 ILE A 86 18.649 -0.174 -1.515 1.00 23.13 C ATOM 1388 CD1 ILE A 86 21.525 -0.058 -0.620 1.00 55.41 C ATOM 0 H ILE A 86 19.154 2.106 1.922 1.00 40.22 H new ATOM 0 HA ILE A 86 17.823 2.148 -0.706 1.00 61.25 H new ATOM 0 HB ILE A 86 19.042 -0.305 0.578 1.00 73.42 H new ATOM 0 HG12 ILE A 86 20.533 1.780 -1.054 1.00 54.34 H new ATOM 0 HG13 ILE A 86 20.762 1.472 0.656 1.00 54.34 H new ATOM 0 HG21 ILE A 86 19.348 -0.969 -1.775 1.00 23.13 H new ATOM 0 HG22 ILE A 86 17.647 -0.591 -1.415 1.00 23.13 H new ATOM 0 HG23 ILE A 86 18.651 0.582 -2.300 1.00 23.13 H new ATOM 0 HD11 ILE A 86 22.514 0.398 -0.671 1.00 55.41 H new ATOM 0 HD12 ILE A 86 21.518 -0.825 0.155 1.00 55.41 H new ATOM 0 HD13 ILE A 86 21.285 -0.512 -1.582 1.00 55.41 H new ATOM 1400 N GLU A 87 15.742 1.012 0.045 1.00 13.41 N ATOM 1401 CA GLU A 87 14.476 0.457 0.510 1.00 61.11 C ATOM 1402 C GLU A 87 13.958 -0.601 -0.460 1.00 34.23 C ATOM 1403 O GLU A 87 14.329 -0.620 -1.633 1.00 50.14 O ATOM 1404 CB GLU A 87 13.436 1.567 0.674 1.00 0.13 C ATOM 1405 CG GLU A 87 13.300 2.460 -0.548 1.00 22.33 C ATOM 1406 CD GLU A 87 12.132 3.421 -0.441 1.00 71.54 C ATOM 1407 OE1 GLU A 87 10.975 2.949 -0.442 1.00 2.33 O ATOM 1408 OE2 GLU A 87 12.374 4.643 -0.358 1.00 73.33 O ATOM 0 H GLU A 87 15.706 1.422 -0.888 1.00 13.41 H new ATOM 0 HA GLU A 87 14.649 -0.014 1.478 1.00 61.11 H new ATOM 0 HB2 GLU A 87 12.468 1.117 0.894 1.00 0.13 H new ATOM 0 HB3 GLU A 87 13.705 2.181 1.534 1.00 0.13 H new ATOM 0 HG2 GLU A 87 14.221 3.027 -0.683 1.00 22.33 H new ATOM 0 HG3 GLU A 87 13.175 1.839 -1.435 1.00 22.33 H new ATOM 1415 N LYS A 88 13.097 -1.482 0.040 1.00 41.12 N ATOM 1416 CA LYS A 88 12.526 -2.544 -0.780 1.00 53.41 C ATOM 1417 C LYS A 88 11.371 -3.228 -0.056 1.00 30.50 C ATOM 1418 O LYS A 88 11.550 -3.794 1.022 1.00 74.33 O ATOM 1419 CB LYS A 88 13.600 -3.574 -1.138 1.00 55.53 C ATOM 1420 CG LYS A 88 13.344 -4.286 -2.455 1.00 40.33 C ATOM 1421 CD LYS A 88 12.377 -5.445 -2.284 1.00 24.53 C ATOM 1422 CE LYS A 88 11.858 -5.941 -3.625 1.00 32.05 C ATOM 1423 NZ LYS A 88 10.452 -5.513 -3.867 1.00 62.11 N ATOM 0 H LYS A 88 12.780 -1.481 1.009 1.00 41.12 H new ATOM 0 HA LYS A 88 12.143 -2.095 -1.696 1.00 53.41 H new ATOM 0 HB2 LYS A 88 14.568 -3.075 -1.186 1.00 55.53 H new ATOM 0 HB3 LYS A 88 13.662 -4.314 -0.340 1.00 55.53 H new ATOM 0 HG2 LYS A 88 12.941 -3.579 -3.180 1.00 40.33 H new ATOM 0 HG3 LYS A 88 14.287 -4.654 -2.860 1.00 40.33 H new ATOM 0 HD2 LYS A 88 12.875 -6.261 -1.761 1.00 24.53 H new ATOM 0 HD3 LYS A 88 11.539 -5.132 -1.662 1.00 24.53 H new ATOM 0 HE2 LYS A 88 12.496 -5.563 -4.424 1.00 32.05 H new ATOM 0 HE3 LYS A 88 11.917 -7.029 -3.658 1.00 32.05 H new ATOM 0 HZ1 LYS A 88 10.134 -5.870 -4.791 1.00 62.11 H new ATOM 0 HZ2 LYS A 88 9.839 -5.895 -3.119 1.00 62.11 H new ATOM 0 HZ3 LYS A 88 10.399 -4.474 -3.861 1.00 62.11 H new ATOM 1437 N GLY A 89 10.186 -3.174 -0.657 1.00 30.23 N ATOM 1438 CA GLY A 89 9.020 -3.794 -0.055 1.00 21.40 C ATOM 1439 C GLY A 89 8.365 -2.909 0.986 1.00 14.20 C ATOM 1440 O GLY A 89 7.310 -3.246 1.523 1.00 4.11 O ATOM 0 H GLY A 89 10.013 -2.712 -1.550 1.00 30.23 H new ATOM 0 HA2 GLY A 89 8.295 -4.031 -0.834 1.00 21.40 H new ATOM 0 HA3 GLY A 89 9.312 -4.738 0.406 1.00 21.40 H new ATOM 1444 N GLY A 90 8.992 -1.772 1.273 1.00 14.05 N ATOM 1445 CA GLY A 90 8.449 -0.854 2.258 1.00 51.23 C ATOM 1446 C GLY A 90 9.158 -0.951 3.594 1.00 52.10 C ATOM 1447 O GLY A 90 8.524 -0.880 4.646 1.00 13.31 O ATOM 0 H GLY A 90 9.866 -1.470 0.841 1.00 14.05 H new ATOM 0 HA2 GLY A 90 8.528 0.166 1.882 1.00 51.23 H new ATOM 0 HA3 GLY A 90 7.388 -1.061 2.397 1.00 51.23 H new ATOM 1451 N GLU A 91 10.476 -1.116 3.552 1.00 3.53 N ATOM 1452 CA GLU A 91 11.271 -1.225 4.770 1.00 34.12 C ATOM 1453 C GLU A 91 12.761 -1.127 4.458 1.00 1.53 C ATOM 1454 O GLU A 91 13.214 -1.449 3.360 1.00 71.12 O ATOM 1455 CB GLU A 91 10.974 -2.547 5.482 1.00 53.40 C ATOM 1456 CG GLU A 91 11.032 -3.758 4.566 1.00 11.32 C ATOM 1457 CD GLU A 91 11.331 -5.042 5.315 1.00 0.34 C ATOM 1458 OE1 GLU A 91 11.167 -5.057 6.553 1.00 20.44 O ATOM 1459 OE2 GLU A 91 11.729 -6.030 4.664 1.00 21.15 O ATOM 0 H GLU A 91 11.016 -1.177 2.689 1.00 3.53 H new ATOM 0 HA GLU A 91 11.000 -0.398 5.426 1.00 34.12 H new ATOM 0 HB2 GLU A 91 11.689 -2.681 6.294 1.00 53.40 H new ATOM 0 HB3 GLU A 91 9.984 -2.492 5.935 1.00 53.40 H new ATOM 0 HG2 GLU A 91 10.081 -3.860 4.044 1.00 11.32 H new ATOM 0 HG3 GLU A 91 11.797 -3.598 3.807 1.00 11.32 H new ATOM 1466 N PRO A 92 13.543 -0.669 5.447 1.00 22.24 N ATOM 1467 CA PRO A 92 14.994 -0.517 5.303 1.00 0.04 C ATOM 1468 C PRO A 92 15.713 -1.860 5.224 1.00 53.54 C ATOM 1469 O PRO A 92 15.526 -2.727 6.078 1.00 71.11 O ATOM 1470 CB PRO A 92 15.400 0.232 6.575 1.00 0.11 C ATOM 1471 CG PRO A 92 14.343 -0.108 7.569 1.00 64.02 C ATOM 1472 CD PRO A 92 13.071 -0.266 6.783 1.00 63.12 C ATOM 0 HA PRO A 92 15.260 0.002 4.382 1.00 0.04 H new ATOM 0 HB2 PRO A 92 16.385 -0.081 6.922 1.00 0.11 H new ATOM 0 HB3 PRO A 92 15.450 1.307 6.402 1.00 0.11 H new ATOM 0 HG2 PRO A 92 14.589 -1.027 8.102 1.00 64.02 H new ATOM 0 HG3 PRO A 92 14.244 0.678 8.318 1.00 64.02 H new ATOM 0 HD2 PRO A 92 12.418 -1.020 7.223 1.00 63.12 H new ATOM 0 HD3 PRO A 92 12.504 0.664 6.745 1.00 63.12 H new ATOM 1480 N LEU A 93 16.535 -2.025 4.194 1.00 40.45 N ATOM 1481 CA LEU A 93 17.283 -3.262 4.002 1.00 30.54 C ATOM 1482 C LEU A 93 18.785 -3.000 4.026 1.00 24.12 C ATOM 1483 O LEU A 93 19.569 -3.856 4.434 1.00 20.21 O ATOM 1484 CB LEU A 93 16.890 -3.920 2.679 1.00 75.05 C ATOM 1485 CG LEU A 93 16.963 -5.447 2.639 1.00 2.24 C ATOM 1486 CD1 LEU A 93 15.947 -6.055 3.593 1.00 10.15 C ATOM 1487 CD2 LEU A 93 16.739 -5.955 1.223 1.00 73.51 C ATOM 0 H LEU A 93 16.700 -1.317 3.478 1.00 40.45 H new ATOM 0 HA LEU A 93 17.037 -3.936 4.823 1.00 30.54 H new ATOM 0 HB2 LEU A 93 15.871 -3.619 2.435 1.00 75.05 H new ATOM 0 HB3 LEU A 93 17.535 -3.525 1.894 1.00 75.05 H new ATOM 0 HG LEU A 93 17.959 -5.752 2.959 1.00 2.24 H new ATOM 0 HD11 LEU A 93 16.014 -7.142 3.551 1.00 10.15 H new ATOM 0 HD12 LEU A 93 16.154 -5.718 4.609 1.00 10.15 H new ATOM 0 HD13 LEU A 93 14.944 -5.742 3.304 1.00 10.15 H new ATOM 0 HD21 LEU A 93 16.795 -7.044 1.214 1.00 73.51 H new ATOM 0 HD22 LEU A 93 15.756 -5.639 0.874 1.00 73.51 H new ATOM 0 HD23 LEU A 93 17.506 -5.547 0.565 1.00 73.51 H new ATOM 1499 N GLY A 94 19.180 -1.808 3.588 1.00 61.44 N ATOM 1500 CA GLY A 94 20.587 -1.454 3.569 1.00 41.40 C ATOM 1501 C GLY A 94 20.808 0.045 3.616 1.00 14.41 C ATOM 1502 O GLY A 94 19.867 0.822 3.453 1.00 5.43 O ATOM 0 H GLY A 94 18.551 -1.082 3.246 1.00 61.44 H new ATOM 0 HA2 GLY A 94 21.087 -1.919 4.419 1.00 41.40 H new ATOM 0 HA3 GLY A 94 21.048 -1.858 2.668 1.00 41.40 H new ATOM 1506 N GLU A 95 22.053 0.452 3.841 1.00 2.00 N ATOM 1507 CA GLU A 95 22.393 1.868 3.912 1.00 54.44 C ATOM 1508 C GLU A 95 23.905 2.068 3.874 1.00 30.01 C ATOM 1509 O GLU A 95 24.665 1.237 4.372 1.00 73.23 O ATOM 1510 CB GLU A 95 21.816 2.491 5.185 1.00 24.22 C ATOM 1511 CG GLU A 95 22.547 2.075 6.451 1.00 64.34 C ATOM 1512 CD GLU A 95 21.677 2.178 7.688 1.00 71.42 C ATOM 1513 OE1 GLU A 95 21.376 3.315 8.108 1.00 74.35 O ATOM 1514 OE2 GLU A 95 21.297 1.122 8.236 1.00 2.14 O ATOM 0 H GLU A 95 22.843 -0.179 3.977 1.00 2.00 H new ATOM 0 HA GLU A 95 21.957 2.363 3.044 1.00 54.44 H new ATOM 0 HB2 GLU A 95 21.850 3.577 5.096 1.00 24.22 H new ATOM 0 HB3 GLU A 95 20.766 2.211 5.273 1.00 24.22 H new ATOM 0 HG2 GLU A 95 22.898 1.049 6.343 1.00 64.34 H new ATOM 0 HG3 GLU A 95 23.430 2.702 6.579 1.00 64.34 H new ATOM 1521 N VAL A 96 24.335 3.176 3.280 1.00 42.43 N ATOM 1522 CA VAL A 96 25.756 3.487 3.177 1.00 61.31 C ATOM 1523 C VAL A 96 26.045 4.905 3.655 1.00 11.12 C ATOM 1524 O VAL A 96 25.216 5.804 3.506 1.00 65.42 O ATOM 1525 CB VAL A 96 26.261 3.332 1.730 1.00 22.31 C ATOM 1526 CG1 VAL A 96 27.752 3.622 1.651 1.00 63.50 C ATOM 1527 CG2 VAL A 96 25.952 1.938 1.205 1.00 71.03 C ATOM 0 H VAL A 96 23.719 3.874 2.862 1.00 42.43 H new ATOM 0 HA VAL A 96 26.282 2.777 3.816 1.00 61.31 H new ATOM 0 HB VAL A 96 25.741 4.056 1.102 1.00 22.31 H new ATOM 0 HG11 VAL A 96 28.091 3.508 0.621 1.00 63.50 H new ATOM 0 HG12 VAL A 96 27.942 4.642 1.984 1.00 63.50 H new ATOM 0 HG13 VAL A 96 28.293 2.924 2.291 1.00 63.50 H new ATOM 0 HG21 VAL A 96 26.316 1.846 0.182 1.00 71.03 H new ATOM 0 HG22 VAL A 96 26.444 1.195 1.833 1.00 71.03 H new ATOM 0 HG23 VAL A 96 24.875 1.773 1.224 1.00 71.03 H new ATOM 1537 N LYS A 97 27.226 5.100 4.231 1.00 2.32 N ATOM 1538 CA LYS A 97 27.627 6.410 4.731 1.00 43.12 C ATOM 1539 C LYS A 97 28.991 6.810 4.176 1.00 32.10 C ATOM 1540 O LYS A 97 30.027 6.368 4.671 1.00 51.11 O ATOM 1541 CB LYS A 97 27.669 6.404 6.261 1.00 41.34 C ATOM 1542 CG LYS A 97 26.481 5.706 6.899 1.00 61.52 C ATOM 1543 CD LYS A 97 26.889 4.395 7.551 1.00 61.05 C ATOM 1544 CE LYS A 97 27.776 4.628 8.764 1.00 41.31 C ATOM 1545 NZ LYS A 97 29.143 4.072 8.567 1.00 62.12 N ATOM 0 H LYS A 97 27.923 4.367 4.363 1.00 2.32 H new ATOM 0 HA LYS A 97 26.890 7.140 4.397 1.00 43.12 H new ATOM 0 HB2 LYS A 97 28.586 5.915 6.589 1.00 41.34 H new ATOM 0 HB3 LYS A 97 27.711 7.433 6.619 1.00 41.34 H new ATOM 0 HG2 LYS A 97 26.031 6.360 7.646 1.00 61.52 H new ATOM 0 HG3 LYS A 97 25.720 5.516 6.142 1.00 61.52 H new ATOM 0 HD2 LYS A 97 25.998 3.844 7.851 1.00 61.05 H new ATOM 0 HD3 LYS A 97 27.417 3.776 6.826 1.00 61.05 H new ATOM 0 HE2 LYS A 97 27.844 5.697 8.964 1.00 41.31 H new ATOM 0 HE3 LYS A 97 27.320 4.168 9.641 1.00 41.31 H new ATOM 0 HZ1 LYS A 97 29.819 4.595 9.159 1.00 62.12 H new ATOM 0 HZ2 LYS A 97 29.151 3.068 8.836 1.00 62.12 H new ATOM 0 HZ3 LYS A 97 29.415 4.165 7.567 1.00 62.12 H new ATOM 1559 N GLY A 98 28.982 7.650 3.146 1.00 44.34 N ATOM 1560 CA GLY A 98 30.225 8.096 2.542 1.00 15.31 C ATOM 1561 C GLY A 98 30.145 8.157 1.030 1.00 41.34 C ATOM 1562 O GLY A 98 29.351 7.458 0.400 1.00 50.54 O ATOM 0 H GLY A 98 28.137 8.030 2.719 1.00 44.34 H new ATOM 0 HA2 GLY A 98 30.480 9.082 2.929 1.00 15.31 H new ATOM 0 HA3 GLY A 98 31.030 7.421 2.833 1.00 15.31 H new ATOM 1566 N PRO A 99 30.983 9.012 0.423 1.00 34.41 N ATOM 1567 CA PRO A 99 31.022 9.183 -1.032 1.00 61.53 C ATOM 1568 C PRO A 99 31.595 7.962 -1.744 1.00 64.10 C ATOM 1569 O PRO A 99 32.811 7.776 -1.796 1.00 23.11 O ATOM 1570 CB PRO A 99 31.940 10.393 -1.223 1.00 20.45 C ATOM 1571 CG PRO A 99 32.806 10.405 -0.010 1.00 50.44 C ATOM 1572 CD PRO A 99 31.956 9.876 1.111 1.00 20.14 C ATOM 0 HA PRO A 99 30.026 9.316 -1.453 1.00 61.53 H new ATOM 0 HB2 PRO A 99 32.533 10.300 -2.133 1.00 20.45 H new ATOM 0 HB3 PRO A 99 31.366 11.316 -1.309 1.00 20.45 H new ATOM 0 HG2 PRO A 99 33.690 9.784 -0.156 1.00 50.44 H new ATOM 0 HG3 PRO A 99 33.157 11.413 0.209 1.00 50.44 H new ATOM 0 HD2 PRO A 99 32.549 9.317 1.835 1.00 20.14 H new ATOM 0 HD3 PRO A 99 31.463 10.681 1.656 1.00 20.14 H new ATOM 1580 N ASP A 100 30.713 7.133 -2.291 1.00 51.54 N ATOM 1581 CA ASP A 100 31.132 5.931 -3.002 1.00 33.20 C ATOM 1582 C ASP A 100 30.222 5.661 -4.196 1.00 61.15 C ATOM 1583 O ASP A 100 29.665 4.571 -4.331 1.00 30.01 O ATOM 1584 CB ASP A 100 31.126 4.727 -2.058 1.00 52.14 C ATOM 1585 CG ASP A 100 29.735 4.393 -1.555 1.00 4.03 C ATOM 1586 OD1 ASP A 100 28.817 5.215 -1.758 1.00 60.20 O ATOM 1587 OD2 ASP A 100 29.565 3.309 -0.958 1.00 45.51 O ATOM 0 H ASP A 100 29.703 7.271 -2.256 1.00 51.54 H new ATOM 0 HA ASP A 100 32.146 6.090 -3.369 1.00 33.20 H new ATOM 0 HB2 ASP A 100 31.540 3.861 -2.575 1.00 52.14 H new ATOM 0 HB3 ASP A 100 31.777 4.932 -1.208 1.00 52.14 H new ATOM 1592 N ILE A 101 30.076 6.660 -5.060 1.00 12.11 N ATOM 1593 CA ILE A 101 29.234 6.530 -6.243 1.00 11.04 C ATOM 1594 C ILE A 101 29.716 5.394 -7.138 1.00 42.25 C ATOM 1595 O ILE A 101 28.928 4.779 -7.857 1.00 30.34 O ATOM 1596 CB ILE A 101 29.204 7.836 -7.059 1.00 64.41 C ATOM 1597 CG1 ILE A 101 28.453 8.925 -6.292 1.00 53.51 C ATOM 1598 CG2 ILE A 101 28.561 7.597 -8.417 1.00 65.41 C ATOM 1599 CD1 ILE A 101 26.990 8.610 -6.072 1.00 31.34 C ATOM 0 H ILE A 101 30.530 7.568 -4.963 1.00 12.11 H new ATOM 0 HA ILE A 101 28.226 6.309 -5.891 1.00 11.04 H new ATOM 0 HB ILE A 101 30.229 8.172 -7.218 1.00 64.41 H new ATOM 0 HG12 ILE A 101 28.934 9.074 -5.325 1.00 53.51 H new ATOM 0 HG13 ILE A 101 28.536 9.865 -6.837 1.00 53.51 H new ATOM 0 HG21 ILE A 101 28.547 8.529 -8.982 1.00 65.41 H new ATOM 0 HG22 ILE A 101 29.135 6.849 -8.965 1.00 65.41 H new ATOM 0 HG23 ILE A 101 27.540 7.241 -8.279 1.00 65.41 H new ATOM 0 HD11 ILE A 101 26.521 9.426 -5.522 1.00 31.34 H new ATOM 0 HD12 ILE A 101 26.495 8.490 -7.036 1.00 31.34 H new ATOM 0 HD13 ILE A 101 26.899 7.687 -5.500 1.00 31.34 H new ATOM 1611 N ASP A 102 31.015 5.121 -7.090 1.00 22.43 N ATOM 1612 CA ASP A 102 31.603 4.056 -7.895 1.00 1.23 C ATOM 1613 C ASP A 102 31.363 2.693 -7.252 1.00 45.43 C ATOM 1614 O ASP A 102 30.953 1.744 -7.920 1.00 22.43 O ATOM 1615 CB ASP A 102 33.104 4.293 -8.074 1.00 34.42 C ATOM 1616 CG ASP A 102 33.402 5.569 -8.835 1.00 53.14 C ATOM 1617 OD1 ASP A 102 33.667 6.601 -8.184 1.00 1.14 O ATOM 1618 OD2 ASP A 102 33.370 5.536 -10.083 1.00 44.21 O ATOM 0 H ASP A 102 31.681 5.622 -6.502 1.00 22.43 H new ATOM 0 HA ASP A 102 31.122 4.065 -8.873 1.00 1.23 H new ATOM 0 HB2 ASP A 102 33.581 4.338 -7.095 1.00 34.42 H new ATOM 0 HB3 ASP A 102 33.542 3.447 -8.604 1.00 34.42 H new ATOM 1623 N LYS A 103 31.623 2.604 -5.952 1.00 62.03 N ATOM 1624 CA LYS A 103 31.436 1.358 -5.218 1.00 41.21 C ATOM 1625 C LYS A 103 29.953 1.041 -5.054 1.00 62.44 C ATOM 1626 O LYS A 103 29.579 -0.099 -4.775 1.00 61.21 O ATOM 1627 CB LYS A 103 32.104 1.447 -3.844 1.00 63.32 C ATOM 1628 CG LYS A 103 32.637 0.117 -3.340 1.00 71.41 C ATOM 1629 CD LYS A 103 33.448 0.287 -2.066 1.00 51.25 C ATOM 1630 CE LYS A 103 34.849 -0.286 -2.217 1.00 12.22 C ATOM 1631 NZ LYS A 103 35.862 0.530 -1.493 1.00 4.23 N ATOM 0 H LYS A 103 31.964 3.380 -5.385 1.00 62.03 H new ATOM 0 HA LYS A 103 31.900 0.555 -5.790 1.00 41.21 H new ATOM 0 HB2 LYS A 103 32.925 2.162 -3.894 1.00 63.32 H new ATOM 0 HB3 LYS A 103 31.385 1.837 -3.124 1.00 63.32 H new ATOM 0 HG2 LYS A 103 31.805 -0.563 -3.155 1.00 71.41 H new ATOM 0 HG3 LYS A 103 33.258 -0.342 -4.109 1.00 71.41 H new ATOM 0 HD2 LYS A 103 33.512 1.345 -1.812 1.00 51.25 H new ATOM 0 HD3 LYS A 103 32.938 -0.209 -1.240 1.00 51.25 H new ATOM 0 HE2 LYS A 103 34.867 -1.308 -1.837 1.00 12.22 H new ATOM 0 HE3 LYS A 103 35.110 -0.334 -3.274 1.00 12.22 H new ATOM 0 HZ1 LYS A 103 36.804 0.107 -1.620 1.00 4.23 H new ATOM 0 HZ2 LYS A 103 35.863 1.498 -1.872 1.00 4.23 H new ATOM 0 HZ3 LYS A 103 35.628 0.555 -0.480 1.00 4.23 H new ATOM 1645 N LEU A 104 29.113 2.054 -5.231 1.00 51.21 N ATOM 1646 CA LEU A 104 27.670 1.883 -5.105 1.00 33.54 C ATOM 1647 C LEU A 104 27.175 0.751 -6.000 1.00 43.11 C ATOM 1648 O LEU A 104 26.183 0.090 -5.692 1.00 2.52 O ATOM 1649 CB LEU A 104 26.948 3.183 -5.462 1.00 3.34 C ATOM 1650 CG LEU A 104 25.435 3.194 -5.242 1.00 61.42 C ATOM 1651 CD1 LEU A 104 25.094 3.828 -3.903 1.00 3.12 C ATOM 1652 CD2 LEU A 104 24.737 3.930 -6.376 1.00 73.32 C ATOM 0 H LEU A 104 29.406 3.003 -5.462 1.00 51.21 H new ATOM 0 HA LEU A 104 27.450 1.626 -4.069 1.00 33.54 H new ATOM 0 HB2 LEU A 104 27.386 3.991 -4.876 1.00 3.34 H new ATOM 0 HB3 LEU A 104 27.144 3.408 -6.510 1.00 3.34 H new ATOM 0 HG LEU A 104 25.081 2.163 -5.232 1.00 61.42 H new ATOM 0 HD11 LEU A 104 24.013 3.827 -3.765 1.00 3.12 H new ATOM 0 HD12 LEU A 104 25.563 3.258 -3.101 1.00 3.12 H new ATOM 0 HD13 LEU A 104 25.461 4.854 -3.882 1.00 3.12 H new ATOM 0 HD21 LEU A 104 23.661 3.928 -6.203 1.00 73.32 H new ATOM 0 HD22 LEU A 104 25.096 4.958 -6.418 1.00 73.32 H new ATOM 0 HD23 LEU A 104 24.953 3.432 -7.321 1.00 73.32 H new ATOM 1664 N ARG A 105 27.875 0.532 -7.109 1.00 12.13 N ATOM 1665 CA ARG A 105 27.507 -0.520 -8.049 1.00 25.25 C ATOM 1666 C ARG A 105 27.496 -1.883 -7.362 1.00 1.33 C ATOM 1667 O ARG A 105 26.632 -2.716 -7.630 1.00 74.14 O ATOM 1668 CB ARG A 105 28.480 -0.541 -9.230 1.00 15.44 C ATOM 1669 CG ARG A 105 28.612 0.800 -9.933 1.00 1.44 C ATOM 1670 CD ARG A 105 29.407 0.677 -11.223 1.00 24.12 C ATOM 1671 NE ARG A 105 30.628 1.478 -11.192 1.00 51.23 N ATOM 1672 CZ ARG A 105 31.758 1.075 -10.621 1.00 55.41 C ATOM 1673 NH1 ARG A 105 31.821 -0.113 -10.036 1.00 45.23 N ATOM 1674 NH2 ARG A 105 32.826 1.862 -10.635 1.00 24.45 N ATOM 0 H ARG A 105 28.699 1.069 -7.378 1.00 12.13 H new ATOM 0 HA ARG A 105 26.503 -0.309 -8.417 1.00 25.25 H new ATOM 0 HB2 ARG A 105 29.462 -0.854 -8.875 1.00 15.44 H new ATOM 0 HB3 ARG A 105 28.148 -1.288 -9.950 1.00 15.44 H new ATOM 0 HG2 ARG A 105 27.620 1.196 -10.152 1.00 1.44 H new ATOM 0 HG3 ARG A 105 29.101 1.513 -9.270 1.00 1.44 H new ATOM 0 HD2 ARG A 105 29.664 -0.369 -11.392 1.00 24.12 H new ATOM 0 HD3 ARG A 105 28.787 0.993 -12.062 1.00 24.12 H new ATOM 0 HE ARG A 105 30.612 2.398 -11.633 1.00 51.23 H new ATOM 0 HH11 ARG A 105 31.001 -0.720 -10.024 1.00 45.23 H new ATOM 0 HH12 ARG A 105 32.689 -0.420 -9.598 1.00 45.23 H new ATOM 0 HH21 ARG A 105 32.780 2.777 -11.084 1.00 24.45 H new ATOM 0 HH22 ARG A 105 33.693 1.552 -10.197 1.00 24.45 H new ATOM 1688 N GLU A 106 28.462 -2.101 -6.475 1.00 2.00 N ATOM 1689 CA GLU A 106 28.563 -3.363 -5.751 1.00 42.14 C ATOM 1690 C GLU A 106 27.882 -3.265 -4.389 1.00 61.03 C ATOM 1691 O GLU A 106 27.291 -4.232 -3.906 1.00 43.42 O ATOM 1692 CB GLU A 106 30.031 -3.758 -5.573 1.00 34.02 C ATOM 1693 CG GLU A 106 30.867 -2.696 -4.878 1.00 35.52 C ATOM 1694 CD GLU A 106 32.281 -3.162 -4.592 1.00 60.33 C ATOM 1695 OE1 GLU A 106 33.144 -3.017 -5.483 1.00 41.43 O ATOM 1696 OE2 GLU A 106 32.525 -3.672 -3.479 1.00 61.31 O ATOM 0 H GLU A 106 29.185 -1.421 -6.241 1.00 2.00 H new ATOM 0 HA GLU A 106 28.056 -4.130 -6.336 1.00 42.14 H new ATOM 0 HB2 GLU A 106 30.083 -4.683 -4.998 1.00 34.02 H new ATOM 0 HB3 GLU A 106 30.464 -3.966 -6.551 1.00 34.02 H new ATOM 0 HG2 GLU A 106 30.902 -1.802 -5.500 1.00 35.52 H new ATOM 0 HG3 GLU A 106 30.385 -2.414 -3.942 1.00 35.52 H new ATOM 1703 N THR A 107 27.969 -2.090 -3.774 1.00 4.05 N ATOM 1704 CA THR A 107 27.364 -1.865 -2.467 1.00 41.10 C ATOM 1705 C THR A 107 25.854 -2.066 -2.519 1.00 11.22 C ATOM 1706 O THR A 107 25.233 -2.440 -1.523 1.00 74.33 O ATOM 1707 CB THR A 107 27.664 -0.447 -1.945 1.00 44.05 C ATOM 1708 OG1 THR A 107 29.019 -0.092 -2.243 1.00 63.14 O ATOM 1709 CG2 THR A 107 27.431 -0.362 -0.445 1.00 13.43 C ATOM 0 H THR A 107 28.453 -1.279 -4.160 1.00 4.05 H new ATOM 0 HA THR A 107 27.802 -2.595 -1.786 1.00 41.10 H new ATOM 0 HB THR A 107 26.988 0.249 -2.442 1.00 44.05 H new ATOM 0 HG1 THR A 107 29.180 -0.194 -3.204 1.00 63.14 H new ATOM 0 HG21 THR A 107 27.649 0.648 -0.100 1.00 13.43 H new ATOM 0 HG22 THR A 107 26.392 -0.604 -0.224 1.00 13.43 H new ATOM 0 HG23 THR A 107 28.085 -1.069 0.065 1.00 13.43 H new ATOM 1717 N LEU A 108 25.268 -1.815 -3.684 1.00 62.55 N ATOM 1718 CA LEU A 108 23.829 -1.970 -3.866 1.00 40.24 C ATOM 1719 C LEU A 108 23.476 -3.413 -4.212 1.00 55.22 C ATOM 1720 O LEU A 108 22.352 -3.859 -3.982 1.00 34.31 O ATOM 1721 CB LEU A 108 23.331 -1.033 -4.968 1.00 11.40 C ATOM 1722 CG LEU A 108 23.213 -1.642 -6.365 1.00 71.33 C ATOM 1723 CD1 LEU A 108 21.837 -2.258 -6.565 1.00 33.14 C ATOM 1724 CD2 LEU A 108 23.488 -0.591 -7.431 1.00 22.23 C ATOM 0 H LEU A 108 25.767 -1.503 -4.517 1.00 62.55 H new ATOM 0 HA LEU A 108 23.339 -1.711 -2.928 1.00 40.24 H new ATOM 0 HB2 LEU A 108 22.353 -0.650 -4.677 1.00 11.40 H new ATOM 0 HB3 LEU A 108 24.005 -0.178 -5.022 1.00 11.40 H new ATOM 0 HG LEU A 108 23.959 -2.431 -6.460 1.00 71.33 H new ATOM 0 HD11 LEU A 108 21.772 -2.686 -7.565 1.00 33.14 H new ATOM 0 HD12 LEU A 108 21.678 -3.041 -5.824 1.00 33.14 H new ATOM 0 HD13 LEU A 108 21.074 -1.489 -6.450 1.00 33.14 H new ATOM 0 HD21 LEU A 108 23.399 -1.043 -8.419 1.00 22.23 H new ATOM 0 HD22 LEU A 108 22.766 0.220 -7.337 1.00 22.23 H new ATOM 0 HD23 LEU A 108 24.496 -0.196 -7.302 1.00 22.23 H new ATOM 1736 N ASP A 109 24.443 -4.137 -4.764 1.00 74.22 N ATOM 1737 CA ASP A 109 24.235 -5.531 -5.139 1.00 31.22 C ATOM 1738 C ASP A 109 24.234 -6.431 -3.907 1.00 2.43 C ATOM 1739 O ASP A 109 23.361 -7.283 -3.750 1.00 14.12 O ATOM 1740 CB ASP A 109 25.319 -5.986 -6.117 1.00 3.32 C ATOM 1741 CG ASP A 109 25.561 -7.481 -6.059 1.00 73.45 C ATOM 1742 OD1 ASP A 109 26.629 -7.892 -5.558 1.00 54.42 O ATOM 1743 OD2 ASP A 109 24.681 -8.242 -6.515 1.00 43.30 O ATOM 0 H ASP A 109 25.379 -3.782 -4.962 1.00 74.22 H new ATOM 0 HA ASP A 109 23.262 -5.609 -5.625 1.00 31.22 H new ATOM 0 HB2 ASP A 109 25.030 -5.707 -7.130 1.00 3.32 H new ATOM 0 HB3 ASP A 109 26.248 -5.462 -5.894 1.00 3.32 H new ATOM 1748 N GLU A 110 25.220 -6.235 -3.036 1.00 51.44 N ATOM 1749 CA GLU A 110 25.333 -7.030 -1.820 1.00 0.04 C ATOM 1750 C GLU A 110 24.043 -6.968 -1.007 1.00 11.20 C ATOM 1751 O GLU A 110 23.757 -7.859 -0.206 1.00 12.54 O ATOM 1752 CB GLU A 110 26.508 -6.539 -0.970 1.00 74.45 C ATOM 1753 CG GLU A 110 27.831 -6.517 -1.717 1.00 32.10 C ATOM 1754 CD GLU A 110 28.671 -7.751 -1.452 1.00 71.43 C ATOM 1755 OE1 GLU A 110 28.215 -8.863 -1.794 1.00 11.14 O ATOM 1756 OE2 GLU A 110 29.783 -7.606 -0.904 1.00 22.40 O ATOM 0 H GLU A 110 25.951 -5.533 -3.151 1.00 51.44 H new ATOM 0 HA GLU A 110 25.511 -8.066 -2.109 1.00 0.04 H new ATOM 0 HB2 GLU A 110 26.288 -5.535 -0.607 1.00 74.45 H new ATOM 0 HB3 GLU A 110 26.605 -7.181 -0.094 1.00 74.45 H new ATOM 0 HG2 GLU A 110 27.639 -6.436 -2.787 1.00 32.10 H new ATOM 0 HG3 GLU A 110 28.393 -5.630 -1.426 1.00 32.10 H new ATOM 1763 N LEU A 111 23.268 -5.910 -1.219 1.00 12.02 N ATOM 1764 CA LEU A 111 22.008 -5.730 -0.506 1.00 54.24 C ATOM 1765 C LEU A 111 20.826 -6.153 -1.374 1.00 24.45 C ATOM 1766 O LEU A 111 20.003 -6.972 -0.963 1.00 31.12 O ATOM 1767 CB LEU A 111 21.844 -4.270 -0.080 1.00 3.20 C ATOM 1768 CG LEU A 111 20.476 -3.884 0.483 1.00 20.10 C ATOM 1769 CD1 LEU A 111 19.511 -3.547 -0.643 1.00 60.52 C ATOM 1770 CD2 LEU A 111 19.919 -5.006 1.347 1.00 24.04 C ATOM 0 H LEU A 111 23.490 -5.164 -1.878 1.00 12.02 H new ATOM 0 HA LEU A 111 22.029 -6.362 0.382 1.00 54.24 H new ATOM 0 HB2 LEU A 111 22.600 -4.045 0.672 1.00 3.20 H new ATOM 0 HB3 LEU A 111 22.052 -3.636 -0.942 1.00 3.20 H new ATOM 0 HG LEU A 111 20.598 -2.998 1.107 1.00 20.10 H new ATOM 0 HD11 LEU A 111 18.543 -3.275 -0.223 1.00 60.52 H new ATOM 0 HD12 LEU A 111 19.904 -2.711 -1.221 1.00 60.52 H new ATOM 0 HD13 LEU A 111 19.394 -4.414 -1.293 1.00 60.52 H new ATOM 0 HD21 LEU A 111 18.945 -4.714 1.739 1.00 24.04 H new ATOM 0 HD22 LEU A 111 19.812 -5.909 0.746 1.00 24.04 H new ATOM 0 HD23 LEU A 111 20.600 -5.200 2.175 1.00 24.04 H new ATOM 1782 N LEU A 112 20.751 -5.593 -2.575 1.00 55.54 N ATOM 1783 CA LEU A 112 19.671 -5.914 -3.503 1.00 1.43 C ATOM 1784 C LEU A 112 19.616 -7.413 -3.776 1.00 62.22 C ATOM 1785 O LEU A 112 18.573 -7.948 -4.151 1.00 21.03 O ATOM 1786 CB LEU A 112 19.856 -5.151 -4.816 1.00 2.45 C ATOM 1787 CG LEU A 112 18.629 -5.070 -5.724 1.00 12.12 C ATOM 1788 CD1 LEU A 112 17.457 -4.444 -4.983 1.00 70.43 C ATOM 1789 CD2 LEU A 112 18.949 -4.279 -6.984 1.00 71.51 C ATOM 0 H LEU A 112 21.424 -4.914 -2.930 1.00 55.54 H new ATOM 0 HA LEU A 112 18.729 -5.612 -3.045 1.00 1.43 H new ATOM 0 HB2 LEU A 112 20.177 -4.136 -4.581 1.00 2.45 H new ATOM 0 HB3 LEU A 112 20.666 -5.620 -5.374 1.00 2.45 H new ATOM 0 HG LEU A 112 18.349 -6.082 -6.016 1.00 12.12 H new ATOM 0 HD11 LEU A 112 16.593 -4.395 -5.645 1.00 70.43 H new ATOM 0 HD12 LEU A 112 17.212 -5.050 -4.111 1.00 70.43 H new ATOM 0 HD13 LEU A 112 17.726 -3.438 -4.661 1.00 70.43 H new ATOM 0 HD21 LEU A 112 18.064 -4.232 -7.618 1.00 71.51 H new ATOM 0 HD22 LEU A 112 19.255 -3.269 -6.712 1.00 71.51 H new ATOM 0 HD23 LEU A 112 19.758 -4.769 -7.526 1.00 71.51 H new ATOM 1801 N ALA A 113 20.746 -8.086 -3.584 1.00 61.24 N ATOM 1802 CA ALA A 113 20.825 -9.525 -3.806 1.00 45.43 C ATOM 1803 C ALA A 113 20.049 -10.288 -2.739 1.00 71.30 C ATOM 1804 O ALA A 113 19.485 -11.349 -3.008 1.00 62.31 O ATOM 1805 CB ALA A 113 22.278 -9.976 -3.829 1.00 4.32 C ATOM 0 H ALA A 113 21.619 -7.658 -3.275 1.00 61.24 H new ATOM 0 HA ALA A 113 20.373 -9.744 -4.773 1.00 45.43 H new ATOM 0 HB1 ALA A 113 22.322 -11.052 -3.995 1.00 4.32 H new ATOM 0 HB2 ALA A 113 22.806 -9.462 -4.633 1.00 4.32 H new ATOM 0 HB3 ALA A 113 22.748 -9.737 -2.875 1.00 4.32 H new ATOM 1811 N ARG A 114 20.024 -9.743 -1.528 1.00 2.55 N ATOM 1812 CA ARG A 114 19.318 -10.374 -0.419 1.00 62.13 C ATOM 1813 C ARG A 114 17.855 -10.621 -0.777 1.00 24.03 C ATOM 1814 O ARG A 114 17.387 -11.760 -0.770 1.00 22.33 O ATOM 1815 CB ARG A 114 19.408 -9.501 0.834 1.00 72.40 C ATOM 1816 CG ARG A 114 18.811 -10.150 2.072 1.00 75.21 C ATOM 1817 CD ARG A 114 19.892 -10.694 2.993 1.00 51.43 C ATOM 1818 NE ARG A 114 19.684 -12.105 3.308 1.00 45.45 N ATOM 1819 CZ ARG A 114 18.806 -12.536 4.206 1.00 4.32 C ATOM 1820 NH1 ARG A 114 18.058 -11.670 4.875 1.00 12.51 N ATOM 1821 NH2 ARG A 114 18.675 -13.836 4.437 1.00 43.20 N ATOM 0 H ARG A 114 20.485 -8.865 -1.289 1.00 2.55 H new ATOM 0 HA ARG A 114 19.792 -11.335 -0.218 1.00 62.13 H new ATOM 0 HB2 ARG A 114 20.454 -9.264 1.027 1.00 72.40 H new ATOM 0 HB3 ARG A 114 18.897 -8.557 0.646 1.00 72.40 H new ATOM 0 HG2 ARG A 114 18.206 -9.421 2.611 1.00 75.21 H new ATOM 0 HG3 ARG A 114 18.144 -10.959 1.774 1.00 75.21 H new ATOM 0 HD2 ARG A 114 20.867 -10.568 2.522 1.00 51.43 H new ATOM 0 HD3 ARG A 114 19.907 -10.115 3.916 1.00 51.43 H new ATOM 0 HE ARG A 114 20.244 -12.797 2.811 1.00 45.45 H new ATOM 0 HH11 ARG A 114 18.156 -10.670 4.700 1.00 12.51 H new ATOM 0 HH12 ARG A 114 17.384 -12.004 5.564 1.00 12.51 H new ATOM 0 HH21 ARG A 114 19.249 -14.505 3.925 1.00 43.20 H new ATOM 0 HH22 ARG A 114 18.000 -14.166 5.127 1.00 43.20 H new ATOM 1835 N LEU A 115 17.139 -9.547 -1.088 1.00 54.10 N ATOM 1836 CA LEU A 115 15.728 -9.646 -1.448 1.00 23.21 C ATOM 1837 C LEU A 115 15.565 -9.923 -2.939 1.00 61.10 C ATOM 1838 O LEU A 115 15.076 -10.981 -3.333 1.00 73.10 O ATOM 1839 CB LEU A 115 14.994 -8.357 -1.074 1.00 22.54 C ATOM 1840 CG LEU A 115 14.029 -8.454 0.108 1.00 33.12 C ATOM 1841 CD1 LEU A 115 12.849 -9.349 -0.238 1.00 71.11 C ATOM 1842 CD2 LEU A 115 14.749 -8.973 1.344 1.00 0.44 C ATOM 0 H LEU A 115 17.511 -8.597 -1.098 1.00 54.10 H new ATOM 0 HA LEU A 115 15.294 -10.478 -0.893 1.00 23.21 H new ATOM 0 HB2 LEU A 115 15.737 -7.592 -0.849 1.00 22.54 H new ATOM 0 HB3 LEU A 115 14.436 -8.014 -1.945 1.00 22.54 H new ATOM 0 HG LEU A 115 13.650 -7.455 0.325 1.00 33.12 H new ATOM 0 HD11 LEU A 115 12.173 -9.406 0.615 1.00 71.11 H new ATOM 0 HD12 LEU A 115 12.318 -8.935 -1.095 1.00 71.11 H new ATOM 0 HD13 LEU A 115 13.210 -10.348 -0.483 1.00 71.11 H new ATOM 0 HD21 LEU A 115 14.046 -9.035 2.175 1.00 0.44 H new ATOM 0 HD22 LEU A 115 15.157 -9.963 1.139 1.00 0.44 H new ATOM 0 HD23 LEU A 115 15.560 -8.293 1.605 1.00 0.44 H new ATOM 1854 N GLU A 116 15.980 -8.966 -3.763 1.00 4.35 N ATOM 1855 CA GLU A 116 15.881 -9.108 -5.210 1.00 70.23 C ATOM 1856 C GLU A 116 17.066 -9.896 -5.762 1.00 52.32 C ATOM 1857 O GLU A 116 16.890 -10.914 -6.431 1.00 14.43 O ATOM 1858 CB GLU A 116 15.814 -7.733 -5.877 1.00 52.40 C ATOM 1859 CG GLU A 116 14.739 -7.626 -6.945 1.00 55.23 C ATOM 1860 CD GLU A 116 15.260 -7.949 -8.332 1.00 72.10 C ATOM 1861 OE1 GLU A 116 15.623 -9.120 -8.571 1.00 32.14 O ATOM 1862 OE2 GLU A 116 15.305 -7.032 -9.178 1.00 40.02 O ATOM 0 H GLU A 116 16.388 -8.084 -3.453 1.00 4.35 H new ATOM 0 HA GLU A 116 14.966 -9.657 -5.433 1.00 70.23 H new ATOM 0 HB2 GLU A 116 15.632 -6.977 -5.113 1.00 52.40 H new ATOM 0 HB3 GLU A 116 16.782 -7.508 -6.324 1.00 52.40 H new ATOM 0 HG2 GLU A 116 13.921 -8.304 -6.701 1.00 55.23 H new ATOM 0 HG3 GLU A 116 14.328 -6.617 -6.941 1.00 55.23 H new