USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.0227 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0356 (180deg=-0.332) USER MOD Single : A 21 SER OG : rot -82:sc= -1.39 USER MOD Single : A 24 SER OG : rot 40:sc= 0.748 USER MOD Single : A 27 ASN : amide:sc= -4.22! K(o=-4.2!,f=-2.8) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 33 TYR OH : rot 135:sc= -0.274 USER MOD Single : A 34 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.4!) USER MOD Single : A 37 SER OG : rot 89:sc= 1.05 USER MOD Single : A 38 ASN : amide:sc= -6.52! C(o=-6.5!,f=-17!) USER MOD Single : A 40 GLN : amide:sc= 1.09 K(o=1.1,f=-0.036) USER MOD Single : A 44 SER OG : rot 86:sc= 0.162 USER MOD Single : A 64 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 67 MET CE :methyl 163:sc= -0.115 (180deg=-0.559) USER MOD Single : A 70 HIS : no HD1:sc= 0.371 K(o=2.1,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 202 N VAL A 14 -7.918 1.520 -4.457 1.00 0.00 N ATOM 203 CA VAL A 14 -7.141 1.308 -3.255 1.00 0.00 C ATOM 204 C VAL A 14 -5.666 1.388 -3.551 1.00 0.00 C ATOM 205 O VAL A 14 -5.102 0.515 -4.206 1.00 0.00 O ATOM 206 CB VAL A 14 -7.452 -0.057 -2.613 1.00 0.00 C ATOM 207 CG1 VAL A 14 -6.732 -0.198 -1.283 1.00 0.00 C ATOM 208 CG2 VAL A 14 -8.950 -0.242 -2.430 1.00 0.00 C ATOM 0 HA VAL A 14 -7.417 2.096 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.093 -0.837 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.964 -1.169 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.656 -0.119 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.058 0.593 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.144 -1.213 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.338 0.545 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.444 -0.191 -3.400 1.00 0.00 H new ATOM 218 N VAL A 15 -5.054 2.455 -3.088 1.00 0.00 N ATOM 219 CA VAL A 15 -3.629 2.618 -3.232 1.00 0.00 C ATOM 220 C VAL A 15 -2.897 1.810 -2.172 1.00 0.00 C ATOM 221 O VAL A 15 -3.006 2.063 -0.971 1.00 0.00 O ATOM 222 CB VAL A 15 -3.216 4.109 -3.188 1.00 0.00 C ATOM 223 CG1 VAL A 15 -3.711 4.786 -1.919 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.708 4.258 -3.329 1.00 0.00 C ATOM 0 H VAL A 15 -5.524 3.223 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.343 2.239 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.689 4.608 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.403 5.832 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.799 4.728 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.286 4.284 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.442 5.315 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.213 3.733 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.388 3.834 -4.281 1.00 0.00 H new ATOM 234 N LEU A 16 -2.191 0.805 -2.638 1.00 0.00 N ATOM 235 CA LEU A 16 -1.385 -0.026 -1.785 1.00 0.00 C ATOM 236 C LEU A 16 0.059 0.382 -1.961 1.00 0.00 C ATOM 237 O LEU A 16 0.620 0.266 -3.050 1.00 0.00 O ATOM 238 CB LEU A 16 -1.558 -1.499 -2.159 1.00 0.00 C ATOM 239 CG LEU A 16 -1.350 -2.502 -1.025 1.00 0.00 C ATOM 240 CD1 LEU A 16 -1.338 -3.912 -1.561 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.063 -2.236 -0.269 1.00 0.00 C ATOM 0 H LEU A 16 -2.162 0.543 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.692 0.099 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.562 -1.637 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.858 -1.735 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.183 -2.383 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.189 -4.612 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.289 -4.123 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.528 -4.020 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.049 -2.970 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.783 -2.312 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.094 -1.235 0.161 1.00 0.00 H new ATOM 253 N LYS A 17 0.650 0.882 -0.904 1.00 0.00 N ATOM 254 CA LYS A 17 2.030 1.277 -0.956 1.00 0.00 C ATOM 255 C LYS A 17 2.892 0.249 -0.241 1.00 0.00 C ATOM 256 O LYS A 17 2.544 -0.255 0.829 1.00 0.00 O ATOM 257 CB LYS A 17 2.216 2.691 -0.396 1.00 0.00 C ATOM 258 CG LYS A 17 1.440 3.734 -1.183 1.00 0.00 C ATOM 259 CD LYS A 17 1.633 5.125 -0.616 1.00 0.00 C ATOM 260 CE LYS A 17 1.050 6.176 -1.548 1.00 0.00 C ATOM 261 NZ LYS A 17 1.298 7.563 -1.073 1.00 0.00 N ATOM 0 H LYS A 17 0.196 1.024 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 17 2.355 1.311 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.894 2.712 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.276 2.946 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.762 3.718 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.380 3.482 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.154 5.194 0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.695 5.316 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.481 6.054 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.024 6.015 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.398 8.082 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.725 7.534 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.945 8.044 -1.730 1.00 0.00 H new ATOM 275 N LEU A 18 4.013 -0.044 -0.864 1.00 0.00 N ATOM 276 CA LEU A 18 4.909 -1.109 -0.451 1.00 0.00 C ATOM 277 C LEU A 18 6.071 -0.499 0.317 1.00 0.00 C ATOM 278 O LEU A 18 6.936 0.141 -0.273 1.00 0.00 O ATOM 279 CB LEU A 18 5.405 -1.813 -1.726 1.00 0.00 C ATOM 280 CG LEU A 18 6.608 -2.746 -1.589 1.00 0.00 C ATOM 281 CD1 LEU A 18 6.197 -4.103 -1.055 1.00 0.00 C ATOM 282 CD2 LEU A 18 7.306 -2.901 -2.932 1.00 0.00 C ATOM 0 H LEU A 18 4.336 0.461 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 18 4.409 -1.830 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.576 -2.389 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.655 -1.046 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 18 7.299 -2.300 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.076 -4.742 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.738 -3.984 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.481 -4.561 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.161 -3.568 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.609 -3.321 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.648 -1.926 -3.279 1.00 0.00 H new ATOM 294 N TRP A 19 6.059 -0.667 1.635 1.00 0.00 N ATOM 295 CA TRP A 19 7.060 -0.050 2.494 1.00 0.00 C ATOM 296 C TRP A 19 8.218 -1.012 2.744 1.00 0.00 C ATOM 297 O TRP A 19 8.329 -2.034 2.078 1.00 0.00 O ATOM 298 CB TRP A 19 6.446 0.372 3.834 1.00 0.00 C ATOM 299 CG TRP A 19 5.156 1.121 3.713 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.957 0.743 4.226 1.00 0.00 C ATOM 301 CD2 TRP A 19 4.923 2.362 3.035 1.00 0.00 C ATOM 302 NE1 TRP A 19 3.005 1.678 3.941 1.00 0.00 N ATOM 303 CE2 TRP A 19 3.566 2.677 3.203 1.00 0.00 C ATOM 304 CE3 TRP A 19 5.725 3.243 2.313 1.00 0.00 C ATOM 305 CZ2 TRP A 19 2.994 3.834 2.681 1.00 0.00 C ATOM 306 CZ3 TRP A 19 5.153 4.387 1.787 1.00 0.00 C ATOM 307 CH2 TRP A 19 3.804 4.672 1.971 1.00 0.00 C ATOM 0 H TRP A 19 5.365 -1.227 2.131 1.00 0.00 H new ATOM 0 HA TRP A 19 7.435 0.837 1.984 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.280 -0.518 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.164 0.993 4.370 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.782 -0.167 4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.029 1.636 4.234 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.775 3.036 2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.949 4.060 2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 5.766 5.073 1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.390 5.573 1.544 1.00 0.00 H new ATOM 318 N LYS A 20 9.078 -0.690 3.696 1.00 0.00 N ATOM 319 CA LYS A 20 10.230 -1.538 3.985 1.00 0.00 C ATOM 320 C LYS A 20 9.867 -2.687 4.920 1.00 0.00 C ATOM 321 O LYS A 20 10.399 -3.792 4.794 1.00 0.00 O ATOM 322 CB LYS A 20 11.385 -0.700 4.558 1.00 0.00 C ATOM 323 CG LYS A 20 10.987 0.244 5.691 1.00 0.00 C ATOM 324 CD LYS A 20 11.119 -0.414 7.056 1.00 0.00 C ATOM 325 CE LYS A 20 12.574 -0.701 7.403 1.00 0.00 C ATOM 326 NZ LYS A 20 13.389 0.543 7.458 1.00 0.00 N ATOM 0 H LYS A 20 9.005 0.144 4.279 1.00 0.00 H new ATOM 0 HA LYS A 20 10.559 -1.982 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.160 -1.375 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.825 -0.113 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.613 1.135 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.958 0.572 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.684 0.235 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.551 -1.344 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.624 -1.210 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.997 -1.379 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.284 0.350 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.590 0.870 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.864 1.280 7.970 1.00 0.00 H new ATOM 340 N SER A 21 8.956 -2.430 5.842 1.00 0.00 N ATOM 341 CA SER A 21 8.560 -3.429 6.820 1.00 0.00 C ATOM 342 C SER A 21 7.312 -4.183 6.371 1.00 0.00 C ATOM 343 O SER A 21 7.142 -5.364 6.678 1.00 0.00 O ATOM 344 CB SER A 21 8.324 -2.750 8.166 1.00 0.00 C ATOM 345 OG SER A 21 7.710 -1.483 7.982 1.00 0.00 O ATOM 0 H SER A 21 8.475 -1.535 5.934 1.00 0.00 H new ATOM 0 HA SER A 21 9.362 -4.160 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.692 -3.380 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.272 -2.629 8.690 1.00 0.00 H new ATOM 0 HG SER A 21 8.394 -0.817 7.761 1.00 0.00 H new ATOM 351 N GLY A 22 6.450 -3.503 5.628 1.00 0.00 N ATOM 352 CA GLY A 22 5.209 -4.108 5.196 1.00 0.00 C ATOM 353 C GLY A 22 4.524 -3.317 4.103 1.00 0.00 C ATOM 354 O GLY A 22 5.182 -2.713 3.258 1.00 0.00 O ATOM 0 H GLY A 22 6.589 -2.542 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.407 -5.118 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.537 -4.198 6.049 1.00 0.00 H new ATOM 358 N PHE A 23 3.203 -3.314 4.124 1.00 0.00 N ATOM 359 CA PHE A 23 2.423 -2.660 3.084 1.00 0.00 C ATOM 360 C PHE A 23 1.227 -1.939 3.695 1.00 0.00 C ATOM 361 O PHE A 23 0.783 -2.281 4.791 1.00 0.00 O ATOM 362 CB PHE A 23 1.976 -3.694 2.036 1.00 0.00 C ATOM 363 CG PHE A 23 1.072 -4.759 2.587 1.00 0.00 C ATOM 364 CD1 PHE A 23 -0.303 -4.576 2.614 1.00 0.00 C ATOM 365 CD2 PHE A 23 1.597 -5.937 3.091 1.00 0.00 C ATOM 366 CE1 PHE A 23 -1.131 -5.546 3.136 1.00 0.00 C ATOM 367 CE2 PHE A 23 0.774 -6.910 3.610 1.00 0.00 C ATOM 368 CZ PHE A 23 -0.591 -6.715 3.635 1.00 0.00 C ATOM 0 H PHE A 23 2.644 -3.759 4.852 1.00 0.00 H new ATOM 0 HA PHE A 23 3.043 -1.915 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.462 -3.178 1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.859 -4.166 1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.729 -3.664 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.665 -6.094 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.200 -5.392 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.197 -7.825 3.997 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.238 -7.477 4.045 1.00 0.00 H new ATOM 378 N SER A 24 0.731 -0.931 2.993 1.00 0.00 N ATOM 379 CA SER A 24 -0.402 -0.146 3.462 1.00 0.00 C ATOM 380 C SER A 24 -1.394 0.053 2.343 1.00 0.00 C ATOM 381 O SER A 24 -1.016 0.344 1.212 1.00 0.00 O ATOM 382 CB SER A 24 0.074 1.218 3.958 1.00 0.00 C ATOM 383 OG SER A 24 -0.978 2.000 4.496 1.00 0.00 O ATOM 0 H SER A 24 1.099 -0.635 2.089 1.00 0.00 H new ATOM 0 HA SER A 24 -0.881 -0.684 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.842 1.076 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.538 1.759 3.133 1.00 0.00 H new ATOM 0 HG SER A 24 -1.577 1.427 5.020 1.00 0.00 H new ATOM 389 N LEU A 25 -2.657 -0.083 2.669 1.00 0.00 N ATOM 390 CA LEU A 25 -3.711 0.135 1.708 1.00 0.00 C ATOM 391 C LEU A 25 -4.346 1.481 2.011 1.00 0.00 C ATOM 392 O LEU A 25 -4.008 2.107 3.012 1.00 0.00 O ATOM 393 CB LEU A 25 -4.770 -0.980 1.785 1.00 0.00 C ATOM 394 CG LEU A 25 -4.238 -2.421 1.845 1.00 0.00 C ATOM 395 CD1 LEU A 25 -3.857 -2.808 3.268 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.242 -3.411 1.265 1.00 0.00 C ATOM 0 H LEU A 25 -2.981 -0.346 3.600 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.297 0.123 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.387 -0.806 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.423 -0.892 0.917 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.338 -2.462 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.484 -3.832 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.081 -2.135 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.733 -2.734 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.833 -4.420 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.171 -3.362 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.440 -3.160 0.223 1.00 0.00 H new ATOM 408 N ASP A 26 -5.252 1.945 1.176 1.00 0.00 N ATOM 409 CA ASP A 26 -5.965 3.175 1.490 1.00 0.00 C ATOM 410 C ASP A 26 -6.841 2.957 2.721 1.00 0.00 C ATOM 411 O ASP A 26 -7.141 3.885 3.470 1.00 0.00 O ATOM 412 CB ASP A 26 -6.812 3.637 0.306 1.00 0.00 C ATOM 413 CG ASP A 26 -7.364 5.035 0.511 1.00 0.00 C ATOM 414 OD1 ASP A 26 -6.555 5.975 0.683 1.00 0.00 O ATOM 415 OD2 ASP A 26 -8.597 5.205 0.486 1.00 0.00 O ATOM 0 H ASP A 26 -5.511 1.505 0.293 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.236 3.957 1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.208 3.615 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.637 2.940 0.157 1.00 0.00 H new ATOM 420 N ASN A 27 -7.187 1.697 2.937 1.00 0.00 N ATOM 421 CA ASN A 27 -8.075 1.284 4.019 1.00 0.00 C ATOM 422 C ASN A 27 -7.314 0.914 5.295 1.00 0.00 C ATOM 423 O ASN A 27 -7.919 0.795 6.358 1.00 0.00 O ATOM 424 CB ASN A 27 -8.882 0.061 3.564 1.00 0.00 C ATOM 425 CG ASN A 27 -7.983 -0.931 2.844 1.00 0.00 C ATOM 426 OD1 ASN A 27 -7.897 -0.922 1.621 1.00 0.00 O ATOM 427 ND2 ASN A 27 -7.267 -1.761 3.596 1.00 0.00 N ATOM 0 H ASN A 27 -6.857 0.922 2.361 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.723 2.130 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.345 -0.418 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.689 0.376 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.621 -2.417 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.364 -1.741 4.611 1.00 0.00 H new ATOM 434 N GLY A 28 -6.004 0.709 5.197 1.00 0.00 N ATOM 435 CA GLY A 28 -5.255 0.203 6.340 1.00 0.00 C ATOM 436 C GLY A 28 -3.820 0.681 6.359 1.00 0.00 C ATOM 437 O GLY A 28 -3.233 0.918 5.308 1.00 0.00 O ATOM 0 H GLY A 28 -5.450 0.881 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.749 0.516 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.270 -0.887 6.325 1.00 0.00 H new ATOM 441 N GLU A 29 -3.246 0.778 7.551 1.00 0.00 N ATOM 442 CA GLU A 29 -1.916 1.356 7.727 1.00 0.00 C ATOM 443 C GLU A 29 -0.823 0.346 7.354 1.00 0.00 C ATOM 444 O GLU A 29 -1.119 -0.749 6.871 1.00 0.00 O ATOM 445 CB GLU A 29 -1.729 1.818 9.179 1.00 0.00 C ATOM 446 CG GLU A 29 -2.903 2.618 9.738 1.00 0.00 C ATOM 447 CD GLU A 29 -3.186 3.893 8.974 1.00 0.00 C ATOM 448 OE1 GLU A 29 -3.914 3.842 7.962 1.00 0.00 O ATOM 449 OE2 GLU A 29 -2.709 4.962 9.411 1.00 0.00 O ATOM 0 H GLU A 29 -3.683 0.462 8.417 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.829 2.216 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.568 0.943 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.827 2.427 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.796 1.993 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.700 2.866 10.780 1.00 0.00 H new ATOM 456 N LEU A 30 0.438 0.727 7.565 1.00 0.00 N ATOM 457 CA LEU A 30 1.570 -0.154 7.301 1.00 0.00 C ATOM 458 C LEU A 30 1.533 -1.375 8.206 1.00 0.00 C ATOM 459 O LEU A 30 1.700 -1.286 9.424 1.00 0.00 O ATOM 460 CB LEU A 30 2.898 0.614 7.439 1.00 0.00 C ATOM 461 CG LEU A 30 4.128 -0.207 7.853 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.390 -1.368 6.912 1.00 0.00 C ATOM 463 CD2 LEU A 30 5.366 0.672 7.927 1.00 0.00 C ATOM 0 H LEU A 30 0.699 1.647 7.920 1.00 0.00 H new ATOM 0 HA LEU A 30 1.497 -0.510 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.114 1.094 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.757 1.409 8.171 1.00 0.00 H new ATOM 0 HG LEU A 30 3.910 -0.615 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.270 -1.917 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.527 -2.034 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.562 -0.988 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.224 0.068 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.555 1.118 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.208 1.462 8.662 1.00 0.00 H new ATOM 475 N ARG A 31 1.282 -2.511 7.585 1.00 0.00 N ATOM 476 CA ARG A 31 1.325 -3.785 8.263 1.00 0.00 C ATOM 477 C ARG A 31 2.503 -4.597 7.736 1.00 0.00 C ATOM 478 O ARG A 31 2.591 -4.866 6.536 1.00 0.00 O ATOM 479 CB ARG A 31 0.020 -4.542 8.045 1.00 0.00 C ATOM 480 CG ARG A 31 -1.221 -3.791 8.485 1.00 0.00 C ATOM 481 CD ARG A 31 -2.383 -4.746 8.741 1.00 0.00 C ATOM 482 NE ARG A 31 -2.059 -5.742 9.765 1.00 0.00 N ATOM 483 CZ ARG A 31 -2.458 -5.685 11.034 1.00 0.00 C ATOM 484 NH1 ARG A 31 -3.147 -4.637 11.474 1.00 0.00 N ATOM 485 NH2 ARG A 31 -2.156 -6.678 11.867 1.00 0.00 N ATOM 0 H ARG A 31 1.043 -2.573 6.595 1.00 0.00 H new ATOM 0 HA ARG A 31 1.452 -3.621 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.073 -4.784 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.068 -5.488 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.005 -3.226 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.503 -3.069 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.258 -4.176 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.647 -5.253 7.813 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.486 -6.538 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.372 -3.872 10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.450 -4.598 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.621 -7.479 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.460 -6.638 12.840 1.00 0.00 H new ATOM 499 N SER A 32 3.418 -4.960 8.628 1.00 0.00 N ATOM 500 CA SER A 32 4.632 -5.675 8.250 1.00 0.00 C ATOM 501 C SER A 32 4.307 -7.084 7.759 1.00 0.00 C ATOM 502 O SER A 32 3.644 -7.840 8.458 1.00 0.00 O ATOM 503 CB SER A 32 5.577 -5.741 9.447 1.00 0.00 C ATOM 504 OG SER A 32 5.494 -4.554 10.220 1.00 0.00 O ATOM 0 H SER A 32 3.341 -4.769 9.627 1.00 0.00 H new ATOM 0 HA SER A 32 5.114 -5.137 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.327 -6.602 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.601 -5.884 9.101 1.00 0.00 H new ATOM 0 HG SER A 32 6.106 -4.617 10.983 1.00 0.00 H new ATOM 510 N TYR A 33 4.833 -7.435 6.580 1.00 0.00 N ATOM 511 CA TYR A 33 4.443 -8.650 5.836 1.00 0.00 C ATOM 512 C TYR A 33 4.355 -9.900 6.720 1.00 0.00 C ATOM 513 O TYR A 33 3.553 -10.796 6.458 1.00 0.00 O ATOM 514 CB TYR A 33 5.451 -8.923 4.714 1.00 0.00 C ATOM 515 CG TYR A 33 5.854 -7.704 3.912 1.00 0.00 C ATOM 516 CD1 TYR A 33 4.966 -7.077 3.040 1.00 0.00 C ATOM 517 CD2 TYR A 33 7.139 -7.187 4.026 1.00 0.00 C ATOM 518 CE1 TYR A 33 5.352 -5.970 2.310 1.00 0.00 C ATOM 519 CE2 TYR A 33 7.530 -6.081 3.301 1.00 0.00 C ATOM 520 CZ TYR A 33 6.635 -5.479 2.447 1.00 0.00 C ATOM 521 OH TYR A 33 7.030 -4.382 1.734 1.00 0.00 O ATOM 0 H TYR A 33 5.548 -6.882 6.107 1.00 0.00 H new ATOM 0 HA TYR A 33 3.448 -8.454 5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.347 -9.366 5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.026 -9.663 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.963 -7.462 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.844 -7.660 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.655 -5.492 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.532 -5.690 3.403 1.00 0.00 H new ATOM 0 HH TYR A 33 7.510 -3.764 2.324 1.00 0.00 H new ATOM 531 N GLN A 34 5.183 -9.938 7.755 1.00 0.00 N ATOM 532 CA GLN A 34 5.302 -11.090 8.646 1.00 0.00 C ATOM 533 C GLN A 34 3.988 -11.417 9.365 1.00 0.00 C ATOM 534 O GLN A 34 3.701 -12.581 9.649 1.00 0.00 O ATOM 535 CB GLN A 34 6.391 -10.820 9.693 1.00 0.00 C ATOM 536 CG GLN A 34 7.811 -10.710 9.136 1.00 0.00 C ATOM 537 CD GLN A 34 8.007 -9.542 8.181 1.00 0.00 C ATOM 538 OE1 GLN A 34 7.874 -9.684 6.966 1.00 0.00 O ATOM 539 NE2 GLN A 34 8.293 -8.371 8.725 1.00 0.00 N ATOM 0 H GLN A 34 5.798 -9.164 8.004 1.00 0.00 H new ATOM 0 HA GLN A 34 5.564 -11.948 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.149 -9.895 10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.368 -11.620 10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.510 -10.610 9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.061 -11.636 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.396 -8.290 9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.410 -7.549 8.133 1.00 0.00 H new ATOM 548 N ASP A 35 3.208 -10.385 9.668 1.00 0.00 N ATOM 549 CA ASP A 35 1.971 -10.536 10.448 1.00 0.00 C ATOM 550 C ASP A 35 0.949 -11.409 9.720 1.00 0.00 C ATOM 551 O ASP A 35 0.709 -11.240 8.522 1.00 0.00 O ATOM 552 CB ASP A 35 1.368 -9.161 10.727 1.00 0.00 C ATOM 553 CG ASP A 35 0.206 -9.190 11.703 1.00 0.00 C ATOM 554 OD1 ASP A 35 0.455 -9.193 12.925 1.00 0.00 O ATOM 555 OD2 ASP A 35 -0.958 -9.179 11.251 1.00 0.00 O ATOM 0 H ASP A 35 3.407 -9.425 9.386 1.00 0.00 H new ATOM 0 HA ASP A 35 2.224 -11.028 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.145 -8.506 11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.030 -8.725 9.787 1.00 0.00 H new ATOM 560 N PRO A 36 0.321 -12.349 10.452 1.00 0.00 N ATOM 561 CA PRO A 36 -0.625 -13.318 9.885 1.00 0.00 C ATOM 562 C PRO A 36 -1.866 -12.676 9.264 1.00 0.00 C ATOM 563 O PRO A 36 -2.572 -13.322 8.489 1.00 0.00 O ATOM 564 CB PRO A 36 -1.025 -14.190 11.081 1.00 0.00 C ATOM 565 CG PRO A 36 0.044 -13.971 12.094 1.00 0.00 C ATOM 566 CD PRO A 36 0.501 -12.558 11.900 1.00 0.00 C ATOM 0 HA PRO A 36 -0.163 -13.869 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.002 -13.902 11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.091 -15.241 10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.336 -14.125 13.104 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.867 -14.672 11.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.093 -11.857 12.486 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.540 -12.425 12.201 1.00 0.00 H new ATOM 574 N SER A 37 -2.137 -11.413 9.587 1.00 0.00 N ATOM 575 CA SER A 37 -3.289 -10.731 9.028 1.00 0.00 C ATOM 576 C SER A 37 -2.940 -10.254 7.631 1.00 0.00 C ATOM 577 O SER A 37 -3.790 -10.133 6.751 1.00 0.00 O ATOM 578 CB SER A 37 -3.659 -9.540 9.904 1.00 0.00 C ATOM 579 OG SER A 37 -3.583 -9.883 11.279 1.00 0.00 O ATOM 0 H SER A 37 -1.577 -10.850 10.227 1.00 0.00 H new ATOM 0 HA SER A 37 -4.139 -11.412 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.988 -8.707 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.668 -9.205 9.663 1.00 0.00 H new ATOM 0 HG SER A 37 -2.676 -9.714 11.609 1.00 0.00 H new ATOM 585 N ASN A 38 -1.657 -10.015 7.447 1.00 0.00 N ATOM 586 CA ASN A 38 -1.131 -9.500 6.197 1.00 0.00 C ATOM 587 C ASN A 38 -0.943 -10.623 5.208 1.00 0.00 C ATOM 588 O ASN A 38 -1.007 -10.417 3.996 1.00 0.00 O ATOM 589 CB ASN A 38 0.183 -8.783 6.452 1.00 0.00 C ATOM 590 CG ASN A 38 0.048 -7.817 7.600 1.00 0.00 C ATOM 591 OD1 ASN A 38 -1.037 -7.322 7.875 1.00 0.00 O ATOM 592 ND2 ASN A 38 1.140 -7.542 8.275 1.00 0.00 N ATOM 0 H ASN A 38 -0.947 -10.173 8.162 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.841 -8.790 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.964 -9.511 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.491 -8.248 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.104 -6.894 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.025 -7.977 8.013 1.00 0.00 H new ATOM 599 N ALA A 39 -0.711 -11.816 5.740 1.00 0.00 N ATOM 600 CA ALA A 39 -0.668 -13.025 4.926 1.00 0.00 C ATOM 601 C ALA A 39 -1.937 -13.148 4.080 1.00 0.00 C ATOM 602 O ALA A 39 -1.896 -13.624 2.945 1.00 0.00 O ATOM 603 CB ALA A 39 -0.497 -14.247 5.812 1.00 0.00 C ATOM 0 H ALA A 39 -0.549 -11.973 6.735 1.00 0.00 H new ATOM 0 HA ALA A 39 0.186 -12.961 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.466 -15.144 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.433 -14.162 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.335 -14.314 6.506 1.00 0.00 H new ATOM 609 N GLN A 40 -3.061 -12.703 4.646 1.00 0.00 N ATOM 610 CA GLN A 40 -4.328 -12.653 3.922 1.00 0.00 C ATOM 611 C GLN A 40 -4.177 -11.817 2.659 1.00 0.00 C ATOM 612 O GLN A 40 -4.369 -12.309 1.545 1.00 0.00 O ATOM 613 CB GLN A 40 -5.422 -12.040 4.801 1.00 0.00 C ATOM 614 CG GLN A 40 -6.743 -11.839 4.074 1.00 0.00 C ATOM 615 CD GLN A 40 -7.351 -10.473 4.333 1.00 0.00 C ATOM 616 OE1 GLN A 40 -8.103 -10.290 5.286 1.00 0.00 O ATOM 617 NE2 GLN A 40 -7.035 -9.508 3.477 1.00 0.00 N ATOM 0 H GLN A 40 -3.117 -12.371 5.609 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.609 -13.672 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.586 -12.684 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.076 -11.079 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.587 -11.966 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.446 -12.611 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.406 -9.703 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.421 -8.572 3.598 1.00 0.00 H new ATOM 626 N PHE A 41 -3.822 -10.549 2.851 1.00 0.00 N ATOM 627 CA PHE A 41 -3.647 -9.626 1.741 1.00 0.00 C ATOM 628 C PHE A 41 -2.633 -10.171 0.756 1.00 0.00 C ATOM 629 O PHE A 41 -2.951 -10.398 -0.404 1.00 0.00 O ATOM 630 CB PHE A 41 -3.159 -8.261 2.224 1.00 0.00 C ATOM 631 CG PHE A 41 -4.076 -7.550 3.171 1.00 0.00 C ATOM 632 CD1 PHE A 41 -5.155 -6.826 2.699 1.00 0.00 C ATOM 633 CD2 PHE A 41 -3.836 -7.577 4.534 1.00 0.00 C ATOM 634 CE1 PHE A 41 -5.977 -6.146 3.572 1.00 0.00 C ATOM 635 CE2 PHE A 41 -4.657 -6.904 5.412 1.00 0.00 C ATOM 636 CZ PHE A 41 -5.728 -6.186 4.931 1.00 0.00 C ATOM 0 H PHE A 41 -3.650 -10.140 3.769 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.619 -9.513 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.192 -8.391 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.996 -7.624 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.355 -6.793 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.993 -8.134 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.816 -5.581 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.461 -6.940 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.373 -5.654 5.615 1.00 0.00 H new ATOM 646 N LEU A 42 -1.421 -10.401 1.247 1.00 0.00 N ATOM 647 CA LEU A 42 -0.296 -10.790 0.406 1.00 0.00 C ATOM 648 C LEU A 42 -0.648 -11.939 -0.531 1.00 0.00 C ATOM 649 O LEU A 42 -0.401 -11.852 -1.729 1.00 0.00 O ATOM 650 CB LEU A 42 0.910 -11.157 1.271 1.00 0.00 C ATOM 651 CG LEU A 42 1.562 -9.982 1.996 1.00 0.00 C ATOM 652 CD1 LEU A 42 2.631 -10.476 2.955 1.00 0.00 C ATOM 653 CD2 LEU A 42 2.157 -9.008 0.989 1.00 0.00 C ATOM 0 H LEU A 42 -1.191 -10.323 2.238 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.043 -9.932 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.597 -11.894 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.659 -11.637 0.640 1.00 0.00 H new ATOM 0 HG LEU A 42 0.798 -9.462 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.085 -9.625 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.180 -11.140 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.396 -11.018 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.619 -8.175 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.910 -9.519 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.369 -8.632 0.337 1.00 0.00 H new ATOM 665 N GLU A 43 -1.257 -12.994 -0.004 1.00 0.00 N ATOM 666 CA GLU A 43 -1.586 -14.148 -0.830 1.00 0.00 C ATOM 667 C GLU A 43 -2.691 -13.822 -1.827 1.00 0.00 C ATOM 668 O GLU A 43 -2.589 -14.179 -3.001 1.00 0.00 O ATOM 669 CB GLU A 43 -1.971 -15.353 0.024 1.00 0.00 C ATOM 670 CG GLU A 43 -0.819 -15.880 0.863 1.00 0.00 C ATOM 671 CD GLU A 43 -0.966 -17.348 1.186 1.00 0.00 C ATOM 672 OE1 GLU A 43 -1.658 -17.686 2.168 1.00 0.00 O ATOM 673 OE2 GLU A 43 -0.391 -18.176 0.446 1.00 0.00 O ATOM 0 H GLU A 43 -1.529 -13.075 0.976 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.689 -14.406 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.795 -15.077 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.335 -16.150 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.118 -15.720 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.759 -15.311 1.791 1.00 0.00 H new ATOM 680 N SER A 44 -3.732 -13.126 -1.376 1.00 0.00 N ATOM 681 CA SER A 44 -4.811 -12.731 -2.267 1.00 0.00 C ATOM 682 C SER A 44 -4.283 -11.811 -3.364 1.00 0.00 C ATOM 683 O SER A 44 -4.602 -11.977 -4.536 1.00 0.00 O ATOM 684 CB SER A 44 -5.932 -12.048 -1.477 1.00 0.00 C ATOM 685 OG SER A 44 -6.523 -12.958 -0.567 1.00 0.00 O ATOM 0 H SER A 44 -3.848 -12.828 -0.407 1.00 0.00 H new ATOM 0 HA SER A 44 -5.221 -13.625 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.533 -11.190 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.689 -11.668 -2.163 1.00 0.00 H new ATOM 0 HG SER A 44 -6.008 -12.967 0.267 1.00 0.00 H new ATOM 691 N ILE A 45 -3.429 -10.878 -2.979 1.00 0.00 N ATOM 692 CA ILE A 45 -2.869 -9.910 -3.911 1.00 0.00 C ATOM 693 C ILE A 45 -1.912 -10.594 -4.896 1.00 0.00 C ATOM 694 O ILE A 45 -1.736 -10.139 -6.027 1.00 0.00 O ATOM 695 CB ILE A 45 -2.158 -8.770 -3.137 1.00 0.00 C ATOM 696 CG1 ILE A 45 -3.157 -8.085 -2.195 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.554 -7.748 -4.087 1.00 0.00 C ATOM 698 CD1 ILE A 45 -2.525 -7.101 -1.233 1.00 0.00 C ATOM 0 H ILE A 45 -3.105 -10.769 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.682 -9.472 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.346 -9.207 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.904 -7.563 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.683 -8.849 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.063 -6.962 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.823 -8.237 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.342 -7.311 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.298 -6.661 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.798 -7.619 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.023 -6.314 -1.795 1.00 0.00 H new ATOM 710 N ARG A 46 -1.312 -11.704 -4.471 1.00 0.00 N ATOM 711 CA ARG A 46 -0.480 -12.514 -5.363 1.00 0.00 C ATOM 712 C ARG A 46 -1.342 -13.210 -6.412 1.00 0.00 C ATOM 713 O ARG A 46 -1.039 -13.185 -7.604 1.00 0.00 O ATOM 714 CB ARG A 46 0.301 -13.580 -4.583 1.00 0.00 C ATOM 715 CG ARG A 46 1.437 -13.040 -3.731 1.00 0.00 C ATOM 716 CD ARG A 46 2.050 -14.144 -2.883 1.00 0.00 C ATOM 717 NE ARG A 46 3.150 -13.659 -2.051 1.00 0.00 N ATOM 718 CZ ARG A 46 3.747 -14.383 -1.104 1.00 0.00 C ATOM 719 NH1 ARG A 46 3.314 -15.607 -0.820 1.00 0.00 N ATOM 720 NH2 ARG A 46 4.772 -13.873 -0.434 1.00 0.00 N ATOM 0 H ARG A 46 -1.385 -12.063 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 46 0.225 -11.839 -5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.393 -14.120 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.708 -14.303 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.201 -12.601 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.066 -12.243 -3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.280 -14.579 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.413 -14.940 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 46 3.482 -12.707 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.520 -15.998 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.775 -16.156 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.100 -12.930 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.232 -14.423 0.291 1.00 0.00 H new ATOM 734 N ARG A 47 -2.428 -13.825 -5.952 1.00 0.00 N ATOM 735 CA ARG A 47 -3.285 -14.637 -6.811 1.00 0.00 C ATOM 736 C ARG A 47 -4.213 -13.781 -7.671 1.00 0.00 C ATOM 737 O ARG A 47 -4.915 -14.296 -8.540 1.00 0.00 O ATOM 738 CB ARG A 47 -4.123 -15.596 -5.962 1.00 0.00 C ATOM 739 CG ARG A 47 -3.303 -16.436 -4.997 1.00 0.00 C ATOM 740 CD ARG A 47 -2.197 -17.181 -5.718 1.00 0.00 C ATOM 741 NE ARG A 47 -2.725 -18.129 -6.696 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.974 -18.779 -7.581 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.675 -18.516 -7.676 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.528 -19.670 -8.397 1.00 0.00 N ATOM 0 H ARG A 47 -2.737 -13.776 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.632 -15.200 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.855 -15.020 -5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.681 -16.259 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.871 -15.794 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.953 -17.148 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.546 -16.466 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.584 -17.714 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.730 -18.303 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.251 -17.814 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.102 -19.016 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.530 -19.856 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.952 -20.168 -9.075 1.00 0.00 H new ATOM 758 N GLY A 48 -4.216 -12.482 -7.428 1.00 0.00 N ATOM 759 CA GLY A 48 -5.104 -11.603 -8.160 1.00 0.00 C ATOM 760 C GLY A 48 -6.493 -11.589 -7.559 1.00 0.00 C ATOM 761 O GLY A 48 -7.474 -11.279 -8.235 1.00 0.00 O ATOM 0 H GLY A 48 -3.622 -12.020 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.697 -10.592 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.160 -11.925 -9.200 1.00 0.00 H new ATOM 765 N GLU A 49 -6.567 -11.939 -6.285 1.00 0.00 N ATOM 766 CA GLU A 49 -7.819 -11.939 -5.551 1.00 0.00 C ATOM 767 C GLU A 49 -8.035 -10.576 -4.913 1.00 0.00 C ATOM 768 O GLU A 49 -7.146 -9.722 -4.938 1.00 0.00 O ATOM 769 CB GLU A 49 -7.808 -13.012 -4.463 1.00 0.00 C ATOM 770 CG GLU A 49 -7.501 -14.403 -4.974 1.00 0.00 C ATOM 771 CD GLU A 49 -7.575 -15.449 -3.881 1.00 0.00 C ATOM 772 OE1 GLU A 49 -6.759 -15.395 -2.935 1.00 0.00 O ATOM 773 OE2 GLU A 49 -8.455 -16.330 -3.965 1.00 0.00 O ATOM 0 H GLU A 49 -5.761 -12.231 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.629 -12.155 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.069 -12.742 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.779 -13.024 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.204 -14.659 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.505 -14.413 -5.416 1.00 0.00 H new ATOM 780 N VAL A 50 -9.201 -10.373 -4.328 1.00 0.00 N ATOM 781 CA VAL A 50 -9.509 -9.101 -3.704 1.00 0.00 C ATOM 782 C VAL A 50 -9.726 -9.250 -2.203 1.00 0.00 C ATOM 783 O VAL A 50 -10.648 -9.943 -1.765 1.00 0.00 O ATOM 784 CB VAL A 50 -10.759 -8.447 -4.318 1.00 0.00 C ATOM 785 CG1 VAL A 50 -11.047 -7.130 -3.620 1.00 0.00 C ATOM 786 CG2 VAL A 50 -10.581 -8.238 -5.814 1.00 0.00 C ATOM 0 H VAL A 50 -9.946 -11.068 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.645 -8.461 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.609 -9.114 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.933 -6.672 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.220 -7.311 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.195 -6.461 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.477 -7.774 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.723 -7.590 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.415 -9.200 -6.299 1.00 0.00 H new ATOM 796 N PRO A 51 -8.855 -8.616 -1.400 1.00 0.00 N ATOM 797 CA PRO A 51 -9.046 -8.505 0.048 1.00 0.00 C ATOM 798 C PRO A 51 -10.400 -7.885 0.393 1.00 0.00 C ATOM 799 O PRO A 51 -10.840 -6.926 -0.250 1.00 0.00 O ATOM 800 CB PRO A 51 -7.914 -7.572 0.486 1.00 0.00 C ATOM 801 CG PRO A 51 -6.873 -7.704 -0.559 1.00 0.00 C ATOM 802 CD PRO A 51 -7.596 -7.985 -1.844 1.00 0.00 C ATOM 0 HA PRO A 51 -9.030 -9.477 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.262 -6.542 0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.527 -7.855 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.283 -6.791 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.181 -8.511 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.782 -7.071 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.021 -8.648 -2.491 1.00 0.00 H new ATOM 810 N ALA A 52 -11.055 -8.434 1.413 1.00 0.00 N ATOM 811 CA ALA A 52 -12.364 -7.963 1.838 1.00 0.00 C ATOM 812 C ALA A 52 -12.282 -6.539 2.357 1.00 0.00 C ATOM 813 O ALA A 52 -13.280 -5.836 2.413 1.00 0.00 O ATOM 814 CB ALA A 52 -12.934 -8.882 2.907 1.00 0.00 C ATOM 0 H ALA A 52 -10.693 -9.213 1.963 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.029 -7.974 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.914 -8.517 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.032 -9.890 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.265 -8.898 3.768 1.00 0.00 H new ATOM 820 N GLU A 53 -11.083 -6.128 2.728 1.00 0.00 N ATOM 821 CA GLU A 53 -10.829 -4.774 3.199 1.00 0.00 C ATOM 822 C GLU A 53 -11.211 -3.746 2.142 1.00 0.00 C ATOM 823 O GLU A 53 -11.549 -2.610 2.463 1.00 0.00 O ATOM 824 CB GLU A 53 -9.350 -4.611 3.553 1.00 0.00 C ATOM 825 CG GLU A 53 -8.914 -5.351 4.809 1.00 0.00 C ATOM 826 CD GLU A 53 -9.232 -6.832 4.777 1.00 0.00 C ATOM 827 OE1 GLU A 53 -8.873 -7.500 3.784 1.00 0.00 O ATOM 828 OE2 GLU A 53 -9.856 -7.325 5.740 1.00 0.00 O ATOM 0 H GLU A 53 -10.255 -6.723 2.712 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.440 -4.606 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.748 -4.961 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.135 -3.550 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.840 -5.221 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.401 -4.901 5.674 1.00 0.00 H new ATOM 835 N LEU A 54 -11.127 -4.143 0.879 1.00 0.00 N ATOM 836 CA LEU A 54 -11.443 -3.247 -0.217 1.00 0.00 C ATOM 837 C LEU A 54 -12.931 -3.308 -0.520 1.00 0.00 C ATOM 838 O LEU A 54 -13.634 -2.297 -0.493 1.00 0.00 O ATOM 839 CB LEU A 54 -10.650 -3.627 -1.474 1.00 0.00 C ATOM 840 CG LEU A 54 -9.276 -4.243 -1.234 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.640 -4.601 -2.563 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.393 -3.286 -0.463 1.00 0.00 C ATOM 0 H LEU A 54 -10.843 -5.080 0.592 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.170 -2.234 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.245 -4.330 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.524 -2.733 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.391 -5.150 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.658 -5.041 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.272 -5.318 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.532 -3.701 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.416 -3.742 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.273 -2.364 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.853 -3.062 0.499 1.00 0.00 H new ATOM 854 N ARG A 55 -13.403 -4.520 -0.777 1.00 0.00 N ATOM 855 CA ARG A 55 -14.766 -4.732 -1.239 1.00 0.00 C ATOM 856 C ARG A 55 -15.759 -4.512 -0.107 1.00 0.00 C ATOM 857 O ARG A 55 -16.782 -3.854 -0.288 1.00 0.00 O ATOM 858 CB ARG A 55 -14.899 -6.151 -1.818 1.00 0.00 C ATOM 859 CG ARG A 55 -16.099 -6.353 -2.742 1.00 0.00 C ATOM 860 CD ARG A 55 -17.413 -6.257 -1.991 1.00 0.00 C ATOM 861 NE ARG A 55 -18.568 -6.290 -2.878 1.00 0.00 N ATOM 862 CZ ARG A 55 -19.594 -5.446 -2.795 1.00 0.00 C ATOM 863 NH1 ARG A 55 -19.563 -4.432 -1.933 1.00 0.00 N ATOM 864 NH2 ARG A 55 -20.643 -5.604 -3.587 1.00 0.00 N ATOM 0 H ARG A 55 -12.858 -5.376 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.992 -4.009 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.989 -6.391 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.969 -6.860 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.078 -5.604 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.026 -7.328 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.482 -7.080 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.430 -5.333 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.592 -7.003 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.750 -4.299 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.352 -3.789 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.664 -6.371 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.430 -4.959 -3.525 1.00 0.00 H new ATOM 980 N VAL A 63 -13.768 -2.707 -7.161 1.00 0.00 N ATOM 981 CA VAL A 63 -12.613 -2.966 -6.321 1.00 0.00 C ATOM 982 C VAL A 63 -11.331 -3.003 -7.151 1.00 0.00 C ATOM 983 O VAL A 63 -11.060 -3.968 -7.868 1.00 0.00 O ATOM 984 CB VAL A 63 -12.771 -4.287 -5.534 1.00 0.00 C ATOM 985 CG1 VAL A 63 -13.771 -4.110 -4.407 1.00 0.00 C ATOM 986 CG2 VAL A 63 -13.213 -5.424 -6.448 1.00 0.00 C ATOM 0 HA VAL A 63 -12.544 -2.147 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.799 -4.546 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.873 -5.048 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.421 -3.331 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.738 -3.824 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -13.316 -6.340 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.172 -5.174 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.468 -5.573 -7.230 1.00 0.00 H new ATOM 996 N ASN A 64 -10.550 -1.937 -7.069 1.00 0.00 N ATOM 997 CA ASN A 64 -9.281 -1.868 -7.772 1.00 0.00 C ATOM 998 C ASN A 64 -8.157 -1.573 -6.798 1.00 0.00 C ATOM 999 O ASN A 64 -8.202 -0.580 -6.076 1.00 0.00 O ATOM 1000 CB ASN A 64 -9.325 -0.782 -8.842 1.00 0.00 C ATOM 1001 CG ASN A 64 -8.173 -0.894 -9.825 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -8.278 -1.573 -10.843 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -7.064 -0.235 -9.529 1.00 0.00 N ATOM 0 H ASN A 64 -10.775 -1.107 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.100 -2.831 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.269 -0.846 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.298 0.197 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.261 -0.281 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.013 0.319 -8.674 1.00 0.00 H new ATOM 1010 N LEU A 65 -7.156 -2.431 -6.780 1.00 0.00 N ATOM 1011 CA LEU A 65 -6.017 -2.258 -5.896 1.00 0.00 C ATOM 1012 C LEU A 65 -4.770 -1.926 -6.703 1.00 0.00 C ATOM 1013 O LEU A 65 -4.318 -2.716 -7.533 1.00 0.00 O ATOM 1014 CB LEU A 65 -5.804 -3.515 -5.055 1.00 0.00 C ATOM 1015 CG LEU A 65 -4.560 -3.522 -4.190 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -4.773 -2.650 -2.976 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -4.210 -4.943 -3.782 1.00 0.00 C ATOM 0 H LEU A 65 -7.107 -3.261 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.217 -1.426 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.673 -3.651 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.765 -4.375 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.725 -3.119 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.875 -2.660 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.984 -1.629 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.615 -3.031 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.314 -4.933 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.038 -5.374 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.027 -5.543 -4.673 1.00 0.00 H new ATOM 1029 N ASP A 66 -4.227 -0.750 -6.452 1.00 0.00 N ATOM 1030 CA ASP A 66 -3.043 -0.276 -7.148 1.00 0.00 C ATOM 1031 C ASP A 66 -1.850 -0.407 -6.222 1.00 0.00 C ATOM 1032 O ASP A 66 -2.011 -0.347 -5.010 1.00 0.00 O ATOM 1033 CB ASP A 66 -3.216 1.187 -7.569 1.00 0.00 C ATOM 1034 CG ASP A 66 -4.396 1.403 -8.499 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -5.521 1.639 -8.003 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -4.204 1.351 -9.730 1.00 0.00 O ATOM 0 H ASP A 66 -4.593 -0.096 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.888 -0.874 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.345 1.802 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.305 1.527 -8.062 1.00 0.00 H new ATOM 1041 N MET A 67 -0.662 -0.586 -6.774 1.00 0.00 N ATOM 1042 CA MET A 67 0.511 -0.858 -5.952 1.00 0.00 C ATOM 1043 C MET A 67 1.681 0.058 -6.293 1.00 0.00 C ATOM 1044 O MET A 67 2.254 -0.021 -7.379 1.00 0.00 O ATOM 1045 CB MET A 67 0.935 -2.324 -6.096 1.00 0.00 C ATOM 1046 CG MET A 67 -0.021 -3.302 -5.430 1.00 0.00 C ATOM 1047 SD MET A 67 0.397 -5.026 -5.756 1.00 0.00 S ATOM 1048 CE MET A 67 2.054 -5.111 -5.082 1.00 0.00 C ATOM 0 H MET A 67 -0.482 -0.549 -7.777 1.00 0.00 H new ATOM 0 HA MET A 67 0.230 -0.660 -4.918 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.013 -2.569 -7.155 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.929 -2.450 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.017 -3.130 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.035 -3.107 -5.780 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.332 -6.154 -4.931 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.754 -4.646 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.086 -4.585 -4.128 1.00 0.00 H new ATOM 1058 N GLU A 68 2.034 0.914 -5.345 1.00 0.00 N ATOM 1059 CA GLU A 68 3.204 1.771 -5.473 1.00 0.00 C ATOM 1060 C GLU A 68 4.315 1.239 -4.585 1.00 0.00 C ATOM 1061 O GLU A 68 4.045 0.641 -3.544 1.00 0.00 O ATOM 1062 CB GLU A 68 2.895 3.206 -5.046 1.00 0.00 C ATOM 1063 CG GLU A 68 1.806 3.893 -5.847 1.00 0.00 C ATOM 1064 CD GLU A 68 1.677 5.361 -5.485 1.00 0.00 C ATOM 1065 OE1 GLU A 68 2.189 5.764 -4.413 1.00 0.00 O ATOM 1066 OE2 GLU A 68 1.081 6.123 -6.272 1.00 0.00 O ATOM 0 H GLU A 68 1.522 1.034 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 68 3.506 1.771 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.605 3.202 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.808 3.796 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.024 3.799 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.855 3.391 -5.671 1.00 0.00 H new ATOM 1073 N ASP A 69 5.554 1.471 -4.968 1.00 0.00 N ATOM 1074 CA ASP A 69 6.674 1.061 -4.141 1.00 0.00 C ATOM 1075 C ASP A 69 7.269 2.274 -3.440 1.00 0.00 C ATOM 1076 O ASP A 69 7.549 3.300 -4.062 1.00 0.00 O ATOM 1077 CB ASP A 69 7.735 0.327 -4.970 1.00 0.00 C ATOM 1078 CG ASP A 69 8.442 1.226 -5.963 1.00 0.00 C ATOM 1079 OD1 ASP A 69 7.800 1.643 -6.949 1.00 0.00 O ATOM 1080 OD2 ASP A 69 9.640 1.522 -5.757 1.00 0.00 O ATOM 0 H ASP A 69 5.811 1.937 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 69 6.313 0.363 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.472 -0.112 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.263 -0.496 -5.507 1.00 0.00 H new ATOM 1085 N HIS A 70 7.401 2.167 -2.128 1.00 0.00 N ATOM 1086 CA HIS A 70 7.937 3.239 -1.295 1.00 0.00 C ATOM 1087 C HIS A 70 8.637 2.619 -0.089 1.00 0.00 C ATOM 1088 O HIS A 70 8.412 3.020 1.049 1.00 0.00 O ATOM 1089 CB HIS A 70 6.823 4.168 -0.794 1.00 0.00 C ATOM 1090 CG HIS A 70 6.069 4.920 -1.847 1.00 0.00 C ATOM 1091 ND1 HIS A 70 6.468 6.143 -2.347 1.00 0.00 N ATOM 1092 CD2 HIS A 70 4.906 4.625 -2.468 1.00 0.00 C ATOM 1093 CE1 HIS A 70 5.579 6.568 -3.224 1.00 0.00 C ATOM 1094 NE2 HIS A 70 4.621 5.664 -3.320 1.00 0.00 N ATOM 0 H HIS A 70 7.139 1.331 -1.605 1.00 0.00 H new ATOM 0 HA HIS A 70 8.633 3.826 -1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.111 3.573 -0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.262 4.890 -0.105 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.310 3.736 -2.322 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.627 7.498 -3.771 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.804 5.727 -3.927 1.00 0.00 H new ATOM 1103 N ARG A 71 9.473 1.624 -0.340 1.00 0.00 N ATOM 1104 CA ARG A 71 10.043 0.830 0.737 1.00 0.00 C ATOM 1105 C ARG A 71 10.999 1.646 1.598 1.00 0.00 C ATOM 1106 O ARG A 71 10.831 1.720 2.812 1.00 0.00 O ATOM 1107 CB ARG A 71 10.714 -0.425 0.177 1.00 0.00 C ATOM 1108 CG ARG A 71 9.751 -1.266 -0.644 1.00 0.00 C ATOM 1109 CD ARG A 71 10.280 -2.663 -0.913 1.00 0.00 C ATOM 1110 NE ARG A 71 10.436 -3.438 0.315 1.00 0.00 N ATOM 1111 CZ ARG A 71 10.451 -4.768 0.352 1.00 0.00 C ATOM 1112 NH1 ARG A 71 10.383 -5.462 -0.776 1.00 0.00 N ATOM 1113 NH2 ARG A 71 10.550 -5.403 1.513 1.00 0.00 N ATOM 0 H ARG A 71 9.771 1.348 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 71 9.229 0.515 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.563 -0.137 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.108 -1.023 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.798 -1.337 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.556 -0.766 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.599 -3.184 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.241 -2.594 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 71 10.539 -2.931 1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.319 -4.976 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.394 -6.482 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.615 -4.871 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.561 -6.423 1.537 1.00 0.00 H new ATOM 1127 N ASP A 72 11.970 2.296 0.978 1.00 0.00 N ATOM 1128 CA ASP A 72 12.907 3.134 1.725 1.00 0.00 C ATOM 1129 C ASP A 72 12.316 4.526 1.924 1.00 0.00 C ATOM 1130 O ASP A 72 12.969 5.434 2.436 1.00 0.00 O ATOM 1131 CB ASP A 72 14.273 3.208 1.027 1.00 0.00 C ATOM 1132 CG ASP A 72 14.238 3.890 -0.329 1.00 0.00 C ATOM 1133 OD1 ASP A 72 13.161 3.950 -0.950 1.00 0.00 O ATOM 1134 OD2 ASP A 72 15.310 4.338 -0.791 1.00 0.00 O ATOM 0 H ASP A 72 12.133 2.264 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 72 13.070 2.680 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.971 3.741 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.662 2.197 0.904 1.00 0.00 H new ATOM 1139 N GLU A 73 11.063 4.662 1.517 1.00 0.00 N ATOM 1140 CA GLU A 73 10.293 5.884 1.692 1.00 0.00 C ATOM 1141 C GLU A 73 9.743 5.947 3.110 1.00 0.00 C ATOM 1142 O GLU A 73 9.549 7.026 3.671 1.00 0.00 O ATOM 1143 CB GLU A 73 9.122 5.863 0.718 1.00 0.00 C ATOM 1144 CG GLU A 73 8.374 7.170 0.559 1.00 0.00 C ATOM 1145 CD GLU A 73 8.925 8.020 -0.558 1.00 0.00 C ATOM 1146 OE1 GLU A 73 9.849 8.816 -0.311 1.00 0.00 O ATOM 1147 OE2 GLU A 73 8.426 7.892 -1.698 1.00 0.00 O ATOM 0 H GLU A 73 10.546 3.917 1.050 1.00 0.00 H new ATOM 0 HA GLU A 73 10.932 6.748 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.493 5.557 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.416 5.099 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.322 6.961 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.423 7.728 1.494 1.00 0.00 H new ATOM 1154 N ASP A 74 9.503 4.751 3.655 1.00 0.00 N ATOM 1155 CA ASP A 74 8.844 4.550 4.949 1.00 0.00 C ATOM 1156 C ASP A 74 7.361 4.867 4.837 1.00 0.00 C ATOM 1157 O ASP A 74 6.904 5.388 3.825 1.00 0.00 O ATOM 1158 CB ASP A 74 9.466 5.386 6.062 1.00 0.00 C ATOM 1159 CG ASP A 74 9.448 4.661 7.388 1.00 0.00 C ATOM 1160 OD1 ASP A 74 10.396 3.894 7.657 1.00 0.00 O ATOM 1161 OD2 ASP A 74 8.484 4.846 8.165 1.00 0.00 O ATOM 0 H ASP A 74 9.767 3.877 3.200 1.00 0.00 H new ATOM 0 HA ASP A 74 8.982 3.502 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.494 5.635 5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.924 6.327 6.155 1.00 0.00 H new ATOM 1166 N PHE A 75 6.630 4.597 5.902 1.00 0.00 N ATOM 1167 CA PHE A 75 5.168 4.570 5.855 1.00 0.00 C ATOM 1168 C PHE A 75 4.565 5.968 5.731 1.00 0.00 C ATOM 1169 O PHE A 75 4.491 6.714 6.705 1.00 0.00 O ATOM 1170 CB PHE A 75 4.622 3.866 7.100 1.00 0.00 C ATOM 1171 CG PHE A 75 3.126 3.953 7.262 1.00 0.00 C ATOM 1172 CD1 PHE A 75 2.279 3.610 6.221 1.00 0.00 C ATOM 1173 CD2 PHE A 75 2.571 4.356 8.463 1.00 0.00 C ATOM 1174 CE1 PHE A 75 0.911 3.670 6.372 1.00 0.00 C ATOM 1175 CE2 PHE A 75 1.200 4.421 8.619 1.00 0.00 C ATOM 1176 CZ PHE A 75 0.370 4.078 7.574 1.00 0.00 C ATOM 0 H PHE A 75 7.023 4.391 6.821 1.00 0.00 H new ATOM 0 HA PHE A 75 4.878 4.016 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.910 2.815 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.096 4.296 7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.697 3.291 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.216 4.623 9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.263 3.398 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.778 4.741 9.561 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.702 4.128 7.695 1.00 0.00 H new ATOM 1186 N VAL A 76 4.117 6.305 4.528 1.00 0.00 N ATOM 1187 CA VAL A 76 3.484 7.587 4.280 1.00 0.00 C ATOM 1188 C VAL A 76 2.380 7.487 3.209 1.00 0.00 C ATOM 1189 O VAL A 76 2.614 7.680 2.012 1.00 0.00 O ATOM 1190 CB VAL A 76 4.534 8.661 3.896 1.00 0.00 C ATOM 1191 CG1 VAL A 76 5.386 8.212 2.715 1.00 0.00 C ATOM 1192 CG2 VAL A 76 3.864 9.998 3.609 1.00 0.00 C ATOM 0 H VAL A 76 4.183 5.703 3.707 1.00 0.00 H new ATOM 0 HA VAL A 76 3.005 7.895 5.210 1.00 0.00 H new ATOM 0 HB VAL A 76 5.199 8.791 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.111 8.989 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.912 7.293 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.745 8.032 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.622 10.735 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.162 9.883 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.328 10.334 4.496 1.00 0.00 H new