USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 438 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 10 SER OG : rot 71:sc= 0.278 USER MOD Set 1.2: A 12 GLN : amide:sc= -1.35! C(o=-1.1!,f=-3.5!) USER MOD Single : A 15 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.64) USER MOD Single : A 16 ASN : amide:sc= -0.0651 K(o=-0.065,f=-0.85) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -26:sc= 1.08 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0261 USER MOD Single : A 65 CYS SG : rot 23:sc= 0.066 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.5) USER MOD Single : A 72 SER OG : rot 120:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.357 7.170 -2.438 1.00 0.38 N ATOM 112 CA SER A 10 -7.105 6.012 -2.877 1.00 0.39 C ATOM 113 C SER A 10 -7.063 4.915 -1.822 1.00 0.28 C ATOM 114 O SER A 10 -6.126 4.853 -1.028 1.00 0.29 O ATOM 115 CB SER A 10 -6.507 5.507 -4.184 1.00 0.52 C ATOM 116 OG SER A 10 -5.090 5.462 -4.111 1.00 0.96 O ATOM 0 HA SER A 10 -8.147 6.292 -3.031 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.895 4.513 -4.405 1.00 0.52 H new ATOM 0 HB3 SER A 10 -6.812 6.158 -5.003 1.00 0.52 H new ATOM 0 HG SER A 10 -4.816 4.731 -3.518 1.00 0.96 H new ATOM 122 N ILE A 11 -8.086 4.074 -1.782 1.00 0.32 N ATOM 123 CA ILE A 11 -8.080 2.947 -0.869 1.00 0.27 C ATOM 124 C ILE A 11 -7.755 1.652 -1.592 1.00 0.20 C ATOM 125 O ILE A 11 -8.292 1.351 -2.662 1.00 0.26 O ATOM 126 CB ILE A 11 -9.413 2.790 -0.116 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.663 4.018 0.742 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.406 1.539 0.751 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.866 3.883 1.646 1.00 0.96 C ATOM 0 H ILE A 11 -8.920 4.151 -2.364 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.301 3.158 -0.137 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.214 2.689 -0.848 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.780 4.213 1.351 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.800 4.883 0.094 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.359 1.452 1.272 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.255 0.661 0.122 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.599 1.606 1.480 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.986 4.795 2.230 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.758 3.719 1.042 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.722 3.038 2.319 1.00 0.96 H new ATOM 141 N GLN A 12 -6.868 0.897 -0.988 1.00 0.13 N ATOM 142 CA GLN A 12 -6.480 -0.405 -1.498 1.00 0.10 C ATOM 143 C GLN A 12 -6.351 -1.390 -0.349 1.00 0.11 C ATOM 144 O GLN A 12 -6.225 -0.996 0.810 1.00 0.17 O ATOM 145 CB GLN A 12 -5.169 -0.362 -2.305 1.00 0.12 C ATOM 146 CG GLN A 12 -4.222 0.779 -1.962 1.00 0.22 C ATOM 147 CD GLN A 12 -4.529 2.067 -2.715 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.362 3.161 -2.186 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.932 1.953 -3.973 1.00 0.35 N ATOM 0 H GLN A 12 -6.392 1.165 -0.127 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.264 -0.729 -2.182 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.642 -1.305 -2.158 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.417 -0.298 -3.364 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.271 0.973 -0.890 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.200 0.472 -2.184 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.062 1.029 -4.385 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.112 2.789 -4.529 1.00 0.35 H new ATOM 158 N CYS A 13 -6.410 -2.669 -0.667 1.00 0.12 N ATOM 159 CA CYS A 13 -6.258 -3.701 0.338 1.00 0.16 C ATOM 160 C CYS A 13 -4.926 -4.405 0.142 1.00 0.13 C ATOM 161 O CYS A 13 -4.730 -5.138 -0.829 1.00 0.15 O ATOM 162 CB CYS A 13 -7.424 -4.695 0.289 1.00 0.25 C ATOM 163 SG CYS A 13 -7.267 -6.073 1.476 1.00 0.34 S ATOM 0 H CYS A 13 -6.562 -3.017 -1.614 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.271 -3.240 1.325 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.353 -4.161 0.487 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.500 -5.103 -0.719 1.00 0.25 H new ATOM 168 N CYS A 14 -4.004 -4.146 1.056 1.00 0.12 N ATOM 169 CA CYS A 14 -2.646 -4.647 0.950 1.00 0.12 C ATOM 170 C CYS A 14 -2.499 -5.991 1.628 1.00 0.15 C ATOM 171 O CYS A 14 -2.903 -6.172 2.776 1.00 0.19 O ATOM 172 CB CYS A 14 -1.658 -3.670 1.577 1.00 0.14 C ATOM 173 SG CYS A 14 -1.424 -2.108 0.663 1.00 0.13 S ATOM 0 H CYS A 14 -4.177 -3.584 1.889 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.429 -4.758 -0.112 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.995 -3.435 2.586 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.692 -4.166 1.671 1.00 0.14 H new ATOM 178 N GLN A 15 -1.918 -6.925 0.897 1.00 0.15 N ATOM 179 CA GLN A 15 -1.593 -8.229 1.431 1.00 0.16 C ATOM 180 C GLN A 15 -0.437 -8.104 2.422 1.00 0.18 C ATOM 181 O GLN A 15 -0.388 -8.803 3.437 1.00 0.23 O ATOM 182 CB GLN A 15 -1.281 -9.190 0.263 1.00 0.17 C ATOM 183 CG GLN A 15 0.088 -9.863 0.301 1.00 0.23 C ATOM 184 CD GLN A 15 0.196 -10.941 1.369 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.258 -11.150 1.954 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.898 -11.646 1.614 1.00 0.33 N ATOM 0 H GLN A 15 -1.660 -6.798 -0.082 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.438 -8.645 1.980 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -2.046 -9.967 0.243 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.366 -8.635 -0.671 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.296 -10.304 -0.674 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.853 -9.107 0.478 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.760 -11.442 1.108 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.879 -12.393 2.309 1.00 0.33 H new ATOM 195 N ASN A 16 0.474 -7.185 2.135 1.00 0.17 N ATOM 196 CA ASN A 16 1.629 -6.950 2.983 1.00 0.21 C ATOM 197 C ASN A 16 1.775 -5.461 3.267 1.00 0.21 C ATOM 198 O ASN A 16 1.995 -4.672 2.353 1.00 0.40 O ATOM 199 CB ASN A 16 2.892 -7.443 2.293 1.00 0.29 C ATOM 200 CG ASN A 16 3.891 -8.052 3.249 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.975 -7.664 4.412 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.659 -9.011 2.761 1.00 0.75 N ATOM 0 H ASN A 16 0.432 -6.585 1.311 1.00 0.17 H new ATOM 0 HA ASN A 16 1.485 -7.491 3.919 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.622 -8.183 1.539 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.361 -6.610 1.769 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.355 -9.460 3.357 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.555 -9.302 1.789 1.00 0.75 H new ATOM 209 N VAL A 17 1.648 -5.078 4.522 1.00 0.16 N ATOM 210 CA VAL A 17 1.800 -3.678 4.905 1.00 0.13 C ATOM 211 C VAL A 17 3.081 -3.494 5.705 1.00 0.14 C ATOM 212 O VAL A 17 3.144 -3.827 6.890 1.00 0.18 O ATOM 213 CB VAL A 17 0.595 -3.159 5.719 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.810 -1.707 6.131 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.685 -3.297 4.913 1.00 0.14 C ATOM 0 H VAL A 17 1.441 -5.710 5.295 1.00 0.16 H new ATOM 0 HA VAL A 17 1.850 -3.094 3.986 1.00 0.13 H new ATOM 0 HB VAL A 17 0.505 -3.762 6.623 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.050 -1.360 6.704 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.708 -1.632 6.744 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.926 -1.089 5.240 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.526 -2.927 5.500 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.601 -2.717 3.994 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.848 -4.346 4.666 1.00 0.14 H new ATOM 225 N VAL A 18 4.101 -2.965 5.049 1.00 0.12 N ATOM 226 CA VAL A 18 5.419 -2.850 5.650 1.00 0.13 C ATOM 227 C VAL A 18 5.975 -1.438 5.496 1.00 0.12 C ATOM 228 O VAL A 18 5.732 -0.772 4.491 1.00 0.12 O ATOM 229 CB VAL A 18 6.411 -3.851 5.014 1.00 0.13 C ATOM 230 CG1 VAL A 18 6.043 -5.279 5.382 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.449 -3.688 3.500 1.00 0.13 C ATOM 0 H VAL A 18 4.040 -2.607 4.096 1.00 0.12 H new ATOM 0 HA VAL A 18 5.306 -3.078 6.710 1.00 0.13 H new ATOM 0 HB VAL A 18 7.405 -3.637 5.408 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.754 -5.967 4.924 1.00 0.18 H new ATOM 0 HG12 VAL A 18 6.072 -5.395 6.465 1.00 0.18 H new ATOM 0 HG13 VAL A 18 5.039 -5.501 5.020 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.154 -4.403 3.075 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.456 -3.870 3.089 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.765 -2.675 3.251 1.00 0.13 H new ATOM 241 N PRO A 19 6.700 -0.949 6.513 1.00 0.14 N ATOM 242 CA PRO A 19 7.428 0.317 6.420 1.00 0.15 C ATOM 243 C PRO A 19 8.493 0.266 5.332 1.00 0.12 C ATOM 244 O PRO A 19 9.155 -0.753 5.142 1.00 0.10 O ATOM 245 CB PRO A 19 8.075 0.475 7.800 1.00 0.17 C ATOM 246 CG PRO A 19 7.304 -0.431 8.698 1.00 0.19 C ATOM 247 CD PRO A 19 6.842 -1.571 7.838 1.00 0.17 C ATOM 0 HA PRO A 19 6.775 1.150 6.158 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.130 0.200 7.774 1.00 0.17 H new ATOM 0 HB3 PRO A 19 8.023 1.508 8.144 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.926 -0.789 9.519 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.457 0.090 9.144 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.565 -2.386 7.826 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.899 -1.987 8.192 1.00 0.17 H new ATOM 255 N GLY A 20 8.648 1.367 4.610 1.00 0.14 N ATOM 256 CA GLY A 20 9.613 1.421 3.528 1.00 0.13 C ATOM 257 C GLY A 20 11.044 1.313 4.018 1.00 0.14 C ATOM 258 O GLY A 20 11.927 0.883 3.281 1.00 0.18 O ATOM 0 H GLY A 20 8.121 2.228 4.755 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.411 0.612 2.825 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.489 2.356 2.982 1.00 0.13 H new ATOM 262 N ASP A 21 11.274 1.705 5.265 1.00 0.17 N ATOM 263 CA ASP A 21 12.596 1.606 5.872 1.00 0.21 C ATOM 264 C ASP A 21 12.689 0.345 6.723 1.00 0.19 C ATOM 265 O ASP A 21 13.672 0.123 7.430 1.00 0.23 O ATOM 266 CB ASP A 21 12.896 2.842 6.728 1.00 0.31 C ATOM 267 CG ASP A 21 12.082 2.890 8.008 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.647 3.204 9.076 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.866 2.598 7.951 1.00 2.27 O ATOM 0 H ASP A 21 10.559 2.096 5.878 1.00 0.17 H new ATOM 0 HA ASP A 21 13.337 1.553 5.074 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.957 2.855 6.978 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.696 3.740 6.143 1.00 0.31 H new ATOM 274 N SER A 22 11.654 -0.476 6.641 1.00 0.16 N ATOM 275 CA SER A 22 11.629 -1.754 7.326 1.00 0.17 C ATOM 276 C SER A 22 12.521 -2.744 6.598 1.00 0.16 C ATOM 277 O SER A 22 12.740 -2.617 5.396 1.00 0.14 O ATOM 278 CB SER A 22 10.194 -2.286 7.390 1.00 0.18 C ATOM 279 OG SER A 22 10.140 -3.609 7.891 1.00 0.24 O ATOM 0 H SER A 22 10.813 -0.275 6.100 1.00 0.16 H new ATOM 0 HA SER A 22 12.000 -1.622 8.342 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.594 -1.634 8.024 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.752 -2.257 6.394 1.00 0.18 H new ATOM 0 HG SER A 22 9.208 -3.911 7.918 1.00 0.24 H new ATOM 285 N ASP A 23 13.024 -3.730 7.318 1.00 0.20 N ATOM 286 CA ASP A 23 13.875 -4.753 6.719 1.00 0.22 C ATOM 287 C ASP A 23 13.135 -5.470 5.603 1.00 0.20 C ATOM 288 O ASP A 23 13.733 -5.906 4.619 1.00 0.22 O ATOM 289 CB ASP A 23 14.341 -5.758 7.769 1.00 0.29 C ATOM 290 CG ASP A 23 15.652 -5.357 8.412 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.645 -4.490 9.313 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.700 -5.906 8.015 1.00 0.61 O ATOM 0 H ASP A 23 12.861 -3.848 8.318 1.00 0.20 H new ATOM 0 HA ASP A 23 14.753 -4.260 6.302 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.576 -5.855 8.540 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.452 -6.738 7.305 1.00 0.29 H new ATOM 297 N LEU A 24 11.825 -5.585 5.763 1.00 0.20 N ATOM 298 CA LEU A 24 10.978 -6.112 4.713 1.00 0.21 C ATOM 299 C LEU A 24 10.823 -5.092 3.594 1.00 0.17 C ATOM 300 O LEU A 24 11.293 -5.309 2.479 1.00 0.18 O ATOM 301 CB LEU A 24 9.605 -6.486 5.269 1.00 0.26 C ATOM 302 CG LEU A 24 9.371 -7.979 5.482 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.414 -8.715 4.150 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.396 -8.554 6.447 1.00 1.11 C ATOM 0 H LEU A 24 11.328 -5.319 6.613 1.00 0.20 H new ATOM 0 HA LEU A 24 11.450 -7.008 4.311 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.465 -5.974 6.221 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.841 -6.109 4.589 1.00 0.26 H new ATOM 0 HG LEU A 24 8.382 -8.114 5.921 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.246 -9.779 4.317 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.638 -8.323 3.493 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.390 -8.570 3.686 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.210 -9.619 6.584 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.398 -8.410 6.042 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.316 -8.046 7.408 1.00 1.11 H new ATOM 316 N GLY A 25 10.197 -3.965 3.921 1.00 0.14 N ATOM 317 CA GLY A 25 9.866 -2.960 2.924 1.00 0.12 C ATOM 318 C GLY A 25 11.058 -2.490 2.113 1.00 0.12 C ATOM 319 O GLY A 25 10.946 -2.286 0.905 1.00 0.16 O ATOM 0 H GLY A 25 9.910 -3.728 4.871 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.115 -3.366 2.247 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.415 -2.102 3.422 1.00 0.12 H new ATOM 323 N THR A 26 12.202 -2.350 2.763 1.00 0.13 N ATOM 324 CA THR A 26 13.398 -1.847 2.105 1.00 0.16 C ATOM 325 C THR A 26 13.913 -2.852 1.083 1.00 0.20 C ATOM 326 O THR A 26 14.245 -2.490 -0.045 1.00 0.24 O ATOM 327 CB THR A 26 14.503 -1.524 3.129 1.00 0.18 C ATOM 328 OG1 THR A 26 14.025 -0.560 4.075 1.00 0.20 O ATOM 329 CG2 THR A 26 15.749 -0.975 2.455 1.00 0.23 C ATOM 0 H THR A 26 12.328 -2.578 3.749 1.00 0.13 H new ATOM 0 HA THR A 26 13.128 -0.926 1.589 1.00 0.16 H new ATOM 0 HB THR A 26 14.763 -2.454 3.634 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.311 -0.027 3.667 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.506 -0.759 3.209 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.137 -1.712 1.752 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.499 -0.059 1.919 1.00 0.23 H new ATOM 337 N LEU A 27 13.951 -4.119 1.474 1.00 0.21 N ATOM 338 CA LEU A 27 14.374 -5.179 0.574 1.00 0.28 C ATOM 339 C LEU A 27 13.378 -5.290 -0.576 1.00 0.29 C ATOM 340 O LEU A 27 13.759 -5.506 -1.728 1.00 0.34 O ATOM 341 CB LEU A 27 14.484 -6.505 1.346 1.00 0.33 C ATOM 342 CG LEU A 27 15.252 -7.649 0.657 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.431 -8.284 -0.456 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.582 -7.147 0.113 1.00 1.00 C ATOM 0 H LEU A 27 13.694 -4.436 2.409 1.00 0.21 H new ATOM 0 HA LEU A 27 15.356 -4.948 0.161 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.964 -6.302 2.303 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.475 -6.856 1.564 1.00 0.33 H new ATOM 0 HG LEU A 27 15.444 -8.416 1.408 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.005 -9.087 -0.919 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.508 -8.690 -0.041 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.191 -7.531 -1.206 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.111 -7.969 -0.370 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.402 -6.354 -0.613 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.187 -6.758 0.932 1.00 1.00 H new ATOM 356 N LEU A 28 12.103 -5.092 -0.260 1.00 0.27 N ATOM 357 CA LEU A 28 11.048 -5.205 -1.253 1.00 0.31 C ATOM 358 C LEU A 28 11.191 -4.114 -2.308 1.00 0.32 C ATOM 359 O LEU A 28 11.188 -4.390 -3.506 1.00 0.37 O ATOM 360 CB LEU A 28 9.661 -5.116 -0.604 1.00 0.31 C ATOM 361 CG LEU A 28 9.357 -6.157 0.481 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.869 -6.189 0.788 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.855 -7.533 0.073 1.00 0.37 C ATOM 0 H LEU A 28 11.778 -4.853 0.677 1.00 0.27 H new ATOM 0 HA LEU A 28 11.145 -6.181 -1.728 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.549 -4.123 -0.168 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.909 -5.207 -1.388 1.00 0.31 H new ATOM 0 HG LEU A 28 9.888 -5.866 1.387 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.673 -6.933 1.560 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.549 -5.208 1.140 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.317 -6.449 -0.115 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.626 -8.251 0.861 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.364 -7.839 -0.851 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.933 -7.498 -0.084 1.00 0.37 H new ATOM 375 N LEU A 29 11.347 -2.875 -1.860 1.00 0.30 N ATOM 376 CA LEU A 29 11.412 -1.748 -2.778 1.00 0.32 C ATOM 377 C LEU A 29 12.755 -1.681 -3.487 1.00 0.36 C ATOM 378 O LEU A 29 12.866 -1.078 -4.551 1.00 0.41 O ATOM 379 CB LEU A 29 11.097 -0.428 -2.056 1.00 0.30 C ATOM 380 CG LEU A 29 12.025 -0.012 -0.903 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.352 0.541 -1.409 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.331 1.020 -0.038 1.00 0.31 C ATOM 0 H LEU A 29 11.430 -2.627 -0.874 1.00 0.30 H new ATOM 0 HA LEU A 29 10.649 -1.902 -3.541 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.103 0.371 -2.798 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.082 -0.492 -1.664 1.00 0.30 H new ATOM 0 HG LEU A 29 12.245 -0.903 -0.315 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.976 0.822 -0.561 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.863 -0.221 -1.998 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.168 1.417 -2.030 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.991 1.313 0.779 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.088 1.895 -0.640 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.414 0.595 0.371 1.00 0.31 H new ATOM 394 N ASP A 30 13.771 -2.291 -2.899 1.00 0.34 N ATOM 395 CA ASP A 30 15.080 -2.367 -3.539 1.00 0.39 C ATOM 396 C ASP A 30 14.991 -3.232 -4.781 1.00 0.43 C ATOM 397 O ASP A 30 15.637 -2.966 -5.793 1.00 0.49 O ATOM 398 CB ASP A 30 16.125 -2.945 -2.588 1.00 0.41 C ATOM 399 CG ASP A 30 17.530 -2.854 -3.154 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.982 -3.829 -3.788 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.187 -1.806 -2.971 1.00 0.63 O ATOM 0 H ASP A 30 13.718 -2.739 -1.984 1.00 0.34 H new ATOM 0 HA ASP A 30 15.386 -1.357 -3.812 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.083 -2.412 -1.638 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.886 -3.988 -2.379 1.00 0.41 H new ATOM 406 N GLU A 31 14.151 -4.251 -4.697 1.00 0.43 N ATOM 407 CA GLU A 31 13.923 -5.168 -5.792 1.00 0.49 C ATOM 408 C GLU A 31 13.103 -4.479 -6.872 1.00 0.51 C ATOM 409 O GLU A 31 13.081 -4.890 -8.033 1.00 0.62 O ATOM 410 CB GLU A 31 13.169 -6.382 -5.262 1.00 0.52 C ATOM 411 CG GLU A 31 13.350 -7.615 -6.104 1.00 0.97 C ATOM 412 CD GLU A 31 12.576 -8.799 -5.567 1.00 1.46 C ATOM 413 OE1 GLU A 31 11.347 -8.862 -5.786 1.00 1.76 O ATOM 414 OE2 GLU A 31 13.191 -9.682 -4.934 1.00 2.07 O ATOM 0 H GLU A 31 13.607 -4.463 -3.861 1.00 0.43 H new ATOM 0 HA GLU A 31 14.874 -5.483 -6.221 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.504 -6.593 -4.246 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.107 -6.144 -5.204 1.00 0.52 H new ATOM 0 HG2 GLU A 31 13.027 -7.406 -7.124 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.409 -7.868 -6.150 1.00 0.97 H new ATOM 421 N LEU A 32 12.433 -3.423 -6.455 1.00 0.52 N ATOM 422 CA LEU A 32 11.543 -2.670 -7.314 1.00 0.58 C ATOM 423 C LEU A 32 12.232 -1.425 -7.873 1.00 0.61 C ATOM 424 O LEU A 32 11.799 -0.854 -8.873 1.00 0.71 O ATOM 425 CB LEU A 32 10.311 -2.281 -6.503 1.00 0.56 C ATOM 426 CG LEU A 32 9.460 -3.456 -6.018 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.324 -2.961 -5.143 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.916 -4.247 -7.194 1.00 0.64 C ATOM 0 H LEU A 32 12.492 -3.061 -5.503 1.00 0.52 H new ATOM 0 HA LEU A 32 11.254 -3.286 -8.165 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.632 -1.702 -5.637 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.687 -1.626 -7.110 1.00 0.56 H new ATOM 0 HG LEU A 32 10.094 -4.116 -5.426 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.728 -3.809 -4.806 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.732 -2.438 -4.278 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.694 -2.280 -5.715 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.314 -5.078 -6.826 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.298 -3.598 -7.815 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.745 -4.634 -7.787 1.00 0.64 H new ATOM 440 N GLY A 33 13.308 -1.012 -7.213 1.00 0.57 N ATOM 441 CA GLY A 33 14.059 0.152 -7.648 1.00 0.62 C ATOM 442 C GLY A 33 13.406 1.456 -7.232 1.00 0.63 C ATOM 443 O GLY A 33 13.635 2.494 -7.852 1.00 0.75 O ATOM 0 H GLY A 33 13.676 -1.467 -6.378 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.066 0.106 -7.234 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.160 0.130 -8.733 1.00 0.62 H new ATOM 447 N ILE A 34 12.606 1.411 -6.173 1.00 0.54 N ATOM 448 CA ILE A 34 11.869 2.589 -5.728 1.00 0.58 C ATOM 449 C ILE A 34 12.774 3.533 -4.943 1.00 0.65 C ATOM 450 O ILE A 34 13.525 3.106 -4.061 1.00 0.68 O ATOM 451 CB ILE A 34 10.657 2.217 -4.844 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.830 1.106 -5.499 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.787 3.443 -4.596 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.682 0.626 -4.641 1.00 0.56 C ATOM 0 H ILE A 34 12.451 0.576 -5.608 1.00 0.54 H new ATOM 0 HA ILE A 34 11.507 3.084 -6.629 1.00 0.58 H new ATOM 0 HB ILE A 34 11.030 1.851 -3.888 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.437 1.468 -6.449 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.483 0.263 -5.725 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.937 3.166 -3.972 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.374 4.209 -4.090 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.426 3.832 -5.548 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.139 -0.160 -5.166 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.070 0.234 -3.701 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.008 1.458 -4.437 1.00 0.56 H new ATOM 466 N VAL A 35 12.703 4.812 -5.272 1.00 0.77 N ATOM 467 CA VAL A 35 13.454 5.829 -4.559 1.00 0.89 C ATOM 468 C VAL A 35 12.501 6.749 -3.804 1.00 0.74 C ATOM 469 O VAL A 35 11.921 7.670 -4.381 1.00 0.90 O ATOM 470 CB VAL A 35 14.324 6.677 -5.508 1.00 1.24 C ATOM 471 CG1 VAL A 35 15.184 7.642 -4.707 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.188 5.790 -6.392 1.00 1.87 C ATOM 0 H VAL A 35 12.128 5.171 -6.034 1.00 0.77 H new ATOM 0 HA VAL A 35 14.113 5.313 -3.861 1.00 0.89 H new ATOM 0 HB VAL A 35 13.666 7.254 -6.157 1.00 1.24 H new ATOM 0 HG11 VAL A 35 15.794 8.236 -5.387 1.00 1.84 H new ATOM 0 HG12 VAL A 35 14.543 8.303 -4.124 1.00 1.84 H new ATOM 0 HG13 VAL A 35 15.832 7.080 -4.035 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.792 6.412 -7.052 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.842 5.181 -5.768 1.00 1.87 H new ATOM 0 HG23 VAL A 35 14.549 5.140 -6.990 1.00 1.87 H new ATOM 482 N LEU A 36 12.328 6.483 -2.522 1.00 0.70 N ATOM 483 CA LEU A 36 11.448 7.283 -1.688 1.00 0.66 C ATOM 484 C LEU A 36 12.225 8.379 -0.984 1.00 0.68 C ATOM 485 O LEU A 36 13.336 8.155 -0.505 1.00 0.84 O ATOM 486 CB LEU A 36 10.776 6.394 -0.653 1.00 0.86 C ATOM 487 CG LEU A 36 9.930 5.270 -1.230 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.764 4.172 -0.205 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.579 5.803 -1.667 1.00 2.76 C ATOM 0 H LEU A 36 12.788 5.715 -2.033 1.00 0.70 H new ATOM 0 HA LEU A 36 10.693 7.744 -2.325 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.545 5.960 -0.014 1.00 0.86 H new ATOM 0 HB3 LEU A 36 10.145 7.014 -0.016 1.00 0.86 H new ATOM 0 HG LEU A 36 10.434 4.857 -2.104 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.157 3.370 -0.626 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.743 3.780 0.070 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.272 4.573 0.681 1.00 2.62 H new ATOM 0 HD21 LEU A 36 7.982 4.989 -2.078 1.00 2.76 H new ATOM 0 HD22 LEU A 36 8.063 6.233 -0.809 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.720 6.570 -2.428 1.00 2.76 H new ATOM 501 N GLU A 37 11.641 9.565 -0.935 1.00 0.72 N ATOM 502 CA GLU A 37 12.231 10.677 -0.208 1.00 0.84 C ATOM 503 C GLU A 37 11.955 10.518 1.278 1.00 0.76 C ATOM 504 O GLU A 37 12.685 11.039 2.124 1.00 0.88 O ATOM 505 CB GLU A 37 11.661 12.003 -0.710 1.00 1.02 C ATOM 506 CG GLU A 37 11.896 12.242 -2.192 1.00 1.42 C ATOM 507 CD GLU A 37 13.365 12.227 -2.556 1.00 2.06 C ATOM 508 OE1 GLU A 37 13.856 11.179 -3.020 1.00 2.65 O ATOM 509 OE2 GLU A 37 14.038 13.266 -2.385 1.00 2.58 O ATOM 0 H GLU A 37 10.755 9.783 -1.392 1.00 0.72 H new ATOM 0 HA GLU A 37 13.308 10.679 -0.375 1.00 0.84 H new ATOM 0 HB2 GLU A 37 10.589 12.027 -0.512 1.00 1.02 H new ATOM 0 HB3 GLU A 37 12.108 12.819 -0.143 1.00 1.02 H new ATOM 0 HG2 GLU A 37 11.375 11.477 -2.767 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.465 13.202 -2.475 1.00 1.42 H new ATOM 516 N ASP A 38 10.899 9.779 1.585 1.00 0.61 N ATOM 517 CA ASP A 38 10.534 9.474 2.951 1.00 0.54 C ATOM 518 C ASP A 38 10.235 7.992 3.066 1.00 0.41 C ATOM 519 O ASP A 38 9.107 7.562 2.831 1.00 0.39 O ATOM 520 CB ASP A 38 9.305 10.276 3.388 1.00 0.60 C ATOM 521 CG ASP A 38 9.551 11.767 3.406 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.196 12.258 4.357 1.00 1.20 O ATOM 523 OD2 ASP A 38 9.092 12.460 2.472 1.00 2.29 O ATOM 0 H ASP A 38 10.273 9.375 0.888 1.00 0.61 H new ATOM 0 HA ASP A 38 11.367 9.744 3.600 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.477 10.058 2.714 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.000 9.951 4.383 1.00 0.60 H new ATOM 528 N PRO A 39 11.241 7.179 3.415 1.00 0.41 N ATOM 529 CA PRO A 39 11.063 5.734 3.560 1.00 0.40 C ATOM 530 C PRO A 39 10.274 5.393 4.820 1.00 0.32 C ATOM 531 O PRO A 39 10.109 4.230 5.173 1.00 0.35 O ATOM 532 CB PRO A 39 12.497 5.209 3.646 1.00 0.57 C ATOM 533 CG PRO A 39 13.282 6.342 4.209 1.00 0.64 C ATOM 534 CD PRO A 39 12.627 7.600 3.700 1.00 0.57 C ATOM 0 HA PRO A 39 10.496 5.294 2.740 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.558 4.328 4.285 1.00 0.57 H new ATOM 0 HB3 PRO A 39 12.871 4.917 2.665 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.279 6.315 5.299 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.324 6.290 3.892 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.659 8.397 4.442 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.123 7.977 2.806 1.00 0.57 H new ATOM 542 N THR A 40 9.770 6.426 5.474 1.00 0.30 N ATOM 543 CA THR A 40 9.014 6.268 6.702 1.00 0.31 C ATOM 544 C THR A 40 7.556 5.946 6.404 1.00 0.28 C ATOM 545 O THR A 40 6.776 5.626 7.303 1.00 0.48 O ATOM 546 CB THR A 40 9.099 7.544 7.555 1.00 0.42 C ATOM 547 OG1 THR A 40 8.846 8.694 6.731 1.00 0.51 O ATOM 548 CG2 THR A 40 10.470 7.669 8.202 1.00 0.49 C ATOM 0 H THR A 40 9.874 7.394 5.169 1.00 0.30 H new ATOM 0 HA THR A 40 9.449 5.438 7.258 1.00 0.31 H new ATOM 0 HB THR A 40 8.348 7.485 8.343 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.899 9.506 7.277 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.508 8.579 8.801 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.650 6.805 8.842 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.235 7.712 7.427 1.00 0.49 H new ATOM 556 N VAL A 41 7.192 6.033 5.133 1.00 0.20 N ATOM 557 CA VAL A 41 5.835 5.737 4.714 1.00 0.17 C ATOM 558 C VAL A 41 5.610 4.234 4.634 1.00 0.14 C ATOM 559 O VAL A 41 6.543 3.459 4.401 1.00 0.15 O ATOM 560 CB VAL A 41 5.495 6.375 3.351 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.626 7.886 3.421 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.371 5.812 2.241 1.00 0.23 C ATOM 0 H VAL A 41 7.819 6.306 4.376 1.00 0.20 H new ATOM 0 HA VAL A 41 5.175 6.168 5.467 1.00 0.17 H new ATOM 0 HB VAL A 41 4.460 6.127 3.116 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.382 8.318 2.450 1.00 0.24 H new ATOM 0 HG12 VAL A 41 4.941 8.276 4.174 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.649 8.150 3.689 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.106 6.282 1.294 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.418 6.014 2.466 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.217 4.735 2.167 1.00 0.23 H new ATOM 572 N LEU A 42 4.373 3.830 4.853 1.00 0.14 N ATOM 573 CA LEU A 42 3.997 2.434 4.751 1.00 0.14 C ATOM 574 C LEU A 42 3.757 2.064 3.301 1.00 0.12 C ATOM 575 O LEU A 42 2.913 2.664 2.630 1.00 0.15 O ATOM 576 CB LEU A 42 2.739 2.151 5.578 1.00 0.16 C ATOM 577 CG LEU A 42 2.898 2.325 7.090 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.559 2.150 7.794 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.916 1.333 7.623 1.00 0.22 C ATOM 0 H LEU A 42 3.607 4.455 5.104 1.00 0.14 H new ATOM 0 HA LEU A 42 4.814 1.828 5.144 1.00 0.14 H new ATOM 0 HB2 LEU A 42 1.942 2.811 5.235 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.415 1.130 5.378 1.00 0.16 H new ATOM 0 HG LEU A 42 3.256 3.335 7.290 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.693 2.277 8.868 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.854 2.895 7.425 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.170 1.152 7.593 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.023 1.464 8.700 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.579 0.318 7.413 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.878 1.504 7.140 1.00 0.22 H new ATOM 591 N ILE A 43 4.515 1.096 2.817 1.00 0.11 N ATOM 592 CA ILE A 43 4.326 0.595 1.473 1.00 0.10 C ATOM 593 C ILE A 43 3.589 -0.730 1.509 1.00 0.11 C ATOM 594 O ILE A 43 3.923 -1.628 2.286 1.00 0.15 O ATOM 595 CB ILE A 43 5.648 0.450 0.683 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.731 -0.233 1.519 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.122 1.815 0.207 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.986 -0.551 0.732 1.00 0.14 C ATOM 0 H ILE A 43 5.267 0.643 3.337 1.00 0.11 H new ATOM 0 HA ILE A 43 3.729 1.338 0.944 1.00 0.10 H new ATOM 0 HB ILE A 43 5.456 -0.183 -0.183 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.991 0.411 2.359 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.329 -1.156 1.937 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.053 1.703 -0.348 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.365 2.258 -0.440 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.288 2.463 1.068 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.713 -1.034 1.385 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.739 -1.219 -0.093 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.411 0.372 0.336 1.00 0.14 H new ATOM 610 N GLY A 44 2.571 -0.836 0.680 1.00 0.13 N ATOM 611 CA GLY A 44 1.723 -1.997 0.703 1.00 0.16 C ATOM 612 C GLY A 44 1.951 -2.921 -0.465 1.00 0.17 C ATOM 613 O GLY A 44 1.450 -2.687 -1.560 1.00 0.31 O ATOM 0 H GLY A 44 2.316 -0.133 -0.013 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.893 -2.545 1.630 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.681 -1.678 0.708 1.00 0.16 H new ATOM 617 N ASP A 45 2.699 -3.976 -0.232 1.00 0.18 N ATOM 618 CA ASP A 45 2.922 -4.987 -1.248 1.00 0.20 C ATOM 619 C ASP A 45 1.725 -5.920 -1.289 1.00 0.20 C ATOM 620 O ASP A 45 1.167 -6.261 -0.249 1.00 0.29 O ATOM 621 CB ASP A 45 4.202 -5.776 -0.963 1.00 0.32 C ATOM 622 CG ASP A 45 4.379 -6.949 -1.904 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.707 -6.728 -3.087 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.200 -8.102 -1.461 1.00 0.57 O ATOM 0 H ASP A 45 3.166 -4.159 0.656 1.00 0.18 H new ATOM 0 HA ASP A 45 3.041 -4.499 -2.216 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.062 -5.112 -1.049 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.181 -6.138 0.065 1.00 0.32 H new ATOM 629 N GLY A 46 1.305 -6.302 -2.477 1.00 0.18 N ATOM 630 CA GLY A 46 0.154 -7.167 -2.583 1.00 0.21 C ATOM 631 C GLY A 46 -1.135 -6.399 -2.404 1.00 0.18 C ATOM 632 O GLY A 46 -2.097 -6.909 -1.832 1.00 0.18 O ATOM 0 H GLY A 46 1.733 -6.034 -3.363 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.154 -7.657 -3.557 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.218 -7.953 -1.831 1.00 0.21 H new ATOM 636 N CYS A 47 -1.152 -5.165 -2.875 1.00 0.17 N ATOM 637 CA CYS A 47 -2.286 -4.289 -2.656 1.00 0.15 C ATOM 638 C CYS A 47 -3.150 -4.193 -3.898 1.00 0.19 C ATOM 639 O CYS A 47 -2.692 -3.773 -4.962 1.00 0.25 O ATOM 640 CB CYS A 47 -1.811 -2.899 -2.237 1.00 0.15 C ATOM 641 SG CYS A 47 -2.757 -2.181 -0.861 1.00 0.12 S ATOM 0 H CYS A 47 -0.392 -4.748 -3.412 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.889 -4.714 -1.854 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.760 -2.955 -1.952 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.873 -2.230 -3.096 1.00 0.15 H new ATOM 646 N ASP A 48 -4.395 -4.614 -3.763 1.00 0.19 N ATOM 647 CA ASP A 48 -5.363 -4.486 -4.835 1.00 0.24 C ATOM 648 C ASP A 48 -6.258 -3.287 -4.567 1.00 0.21 C ATOM 649 O ASP A 48 -6.725 -3.096 -3.442 1.00 0.19 O ATOM 650 CB ASP A 48 -6.223 -5.743 -4.967 1.00 0.30 C ATOM 651 CG ASP A 48 -5.420 -6.990 -5.285 1.00 1.50 C ATOM 652 OD1 ASP A 48 -5.423 -7.428 -6.453 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.764 -7.527 -4.370 1.00 2.02 O ATOM 0 H ASP A 48 -4.760 -5.050 -2.916 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.818 -4.349 -5.769 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.770 -5.899 -4.037 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.964 -5.587 -5.751 1.00 0.30 H new ATOM 658 N PRO A 49 -6.499 -2.459 -5.588 1.00 0.26 N ATOM 659 CA PRO A 49 -7.385 -1.305 -5.472 1.00 0.28 C ATOM 660 C PRO A 49 -8.813 -1.742 -5.186 1.00 0.31 C ATOM 661 O PRO A 49 -9.390 -2.525 -5.945 1.00 0.37 O ATOM 662 CB PRO A 49 -7.304 -0.623 -6.844 1.00 0.35 C ATOM 663 CG PRO A 49 -6.155 -1.253 -7.556 1.00 0.44 C ATOM 664 CD PRO A 49 -5.945 -2.604 -6.937 1.00 0.34 C ATOM 0 HA PRO A 49 -7.094 -0.646 -4.654 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.230 -0.761 -7.402 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.153 0.451 -6.736 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.365 -1.345 -8.622 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.258 -0.641 -7.459 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.457 -3.385 -7.498 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.889 -2.872 -6.909 1.00 0.34 H new ATOM 672 N ILE A 50 -9.383 -1.255 -4.093 1.00 0.30 N ATOM 673 CA ILE A 50 -10.727 -1.651 -3.721 1.00 0.36 C ATOM 674 C ILE A 50 -11.738 -0.806 -4.475 1.00 0.43 C ATOM 675 O ILE A 50 -12.155 0.256 -4.018 1.00 0.46 O ATOM 676 CB ILE A 50 -10.982 -1.528 -2.207 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.804 -2.093 -1.417 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.250 -2.279 -1.838 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.996 -2.025 0.082 1.00 0.31 C ATOM 0 H ILE A 50 -8.939 -0.593 -3.457 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.837 -2.702 -3.986 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.097 -0.473 -1.958 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.646 -3.131 -1.709 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.901 -1.545 -1.685 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.427 -2.190 -0.766 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.095 -1.856 -2.382 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.139 -3.331 -2.101 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.121 -2.443 0.580 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.124 -0.986 0.386 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.881 -2.597 0.362 1.00 0.31 H new ATOM 782 N CYS A 59 -11.727 -6.735 1.309 1.00 0.45 N ATOM 783 CA CYS A 59 -10.347 -6.751 1.750 1.00 0.54 C ATOM 784 C CYS A 59 -10.073 -8.008 2.561 1.00 0.55 C ATOM 785 O CYS A 59 -10.686 -8.232 3.605 1.00 0.74 O ATOM 786 CB CYS A 59 -10.029 -5.510 2.579 1.00 0.73 C ATOM 787 SG CYS A 59 -8.289 -5.425 3.107 1.00 0.74 S ATOM 0 HA CYS A 59 -9.704 -6.748 0.870 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.269 -4.621 1.996 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.670 -5.496 3.460 1.00 0.73 H new ATOM 792 N SER A 60 -9.157 -8.829 2.075 1.00 0.64 N ATOM 793 CA SER A 60 -8.848 -10.092 2.724 1.00 0.86 C ATOM 794 C SER A 60 -7.480 -10.058 3.407 1.00 0.71 C ATOM 795 O SER A 60 -6.919 -11.103 3.734 1.00 1.05 O ATOM 796 CB SER A 60 -8.902 -11.227 1.702 1.00 1.24 C ATOM 797 OG SER A 60 -10.192 -11.323 1.112 1.00 2.14 O ATOM 0 H SER A 60 -8.614 -8.643 1.232 1.00 0.64 H new ATOM 0 HA SER A 60 -9.596 -10.264 3.498 1.00 0.86 H new ATOM 0 HB2 SER A 60 -8.155 -11.058 0.926 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.649 -12.170 2.187 1.00 1.24 H new ATOM 0 HG SER A 60 -10.200 -12.055 0.461 1.00 2.14 H new ATOM 803 N ALA A 61 -6.946 -8.862 3.628 1.00 0.38 N ATOM 804 CA ALA A 61 -5.661 -8.733 4.302 1.00 0.32 C ATOM 805 C ALA A 61 -5.618 -7.493 5.196 1.00 0.32 C ATOM 806 O ALA A 61 -5.835 -7.585 6.403 1.00 0.54 O ATOM 807 CB ALA A 61 -4.527 -8.717 3.288 1.00 0.38 C ATOM 0 H ALA A 61 -7.377 -7.979 3.354 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.532 -9.602 4.948 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.574 -8.620 3.809 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.536 -9.646 2.718 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.657 -7.874 2.610 1.00 0.38 H new ATOM 813 N THR A 62 -5.345 -6.334 4.612 1.00 0.22 N ATOM 814 CA THR A 62 -5.269 -5.094 5.375 1.00 0.19 C ATOM 815 C THR A 62 -5.676 -3.900 4.513 1.00 0.18 C ATOM 816 O THR A 62 -5.104 -3.665 3.451 1.00 0.20 O ATOM 817 CB THR A 62 -3.844 -4.875 5.936 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.474 -5.987 6.766 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.756 -3.590 6.748 1.00 0.24 C ATOM 0 H THR A 62 -5.172 -6.226 3.613 1.00 0.22 H new ATOM 0 HA THR A 62 -5.964 -5.178 6.211 1.00 0.19 H new ATOM 0 HB THR A 62 -3.160 -4.794 5.091 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.570 -5.846 7.118 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.741 -3.468 7.127 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.011 -2.741 6.114 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.452 -3.640 7.585 1.00 0.24 H new ATOM 827 N ALA A 63 -6.666 -3.149 4.977 1.00 0.19 N ATOM 828 CA ALA A 63 -7.183 -2.018 4.226 1.00 0.20 C ATOM 829 C ALA A 63 -6.369 -0.776 4.524 1.00 0.17 C ATOM 830 O ALA A 63 -6.128 -0.437 5.684 1.00 0.19 O ATOM 831 CB ALA A 63 -8.651 -1.779 4.551 1.00 0.25 C ATOM 0 H ALA A 63 -7.127 -3.305 5.873 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.102 -2.246 3.163 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.017 -0.927 3.977 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.230 -2.666 4.293 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.759 -1.572 5.616 1.00 0.25 H new ATOM 837 N VAL A 64 -5.934 -0.108 3.477 1.00 0.14 N ATOM 838 CA VAL A 64 -5.104 1.069 3.615 1.00 0.13 C ATOM 839 C VAL A 64 -5.487 2.129 2.595 1.00 0.14 C ATOM 840 O VAL A 64 -6.148 1.842 1.597 1.00 0.21 O ATOM 841 CB VAL A 64 -3.614 0.728 3.436 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.060 -0.003 4.650 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.427 -0.104 2.183 1.00 0.19 C ATOM 0 H VAL A 64 -6.144 -0.363 2.512 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.267 1.454 4.622 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.059 1.661 3.335 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -2.006 -0.228 4.489 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.166 0.627 5.533 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.611 -0.932 4.798 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.371 -0.343 2.060 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.001 -1.027 2.270 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.775 0.459 1.317 1.00 0.19 H new ATOM 853 N CYS A 65 -5.076 3.349 2.861 1.00 0.17 N ATOM 854 CA CYS A 65 -5.309 4.453 1.955 1.00 0.17 C ATOM 855 C CYS A 65 -3.974 5.045 1.526 1.00 0.13 C ATOM 856 O CYS A 65 -3.269 5.644 2.340 1.00 0.14 O ATOM 857 CB CYS A 65 -6.166 5.518 2.642 1.00 0.23 C ATOM 858 SG CYS A 65 -6.565 6.952 1.594 1.00 0.39 S ATOM 0 H CYS A 65 -4.572 3.604 3.710 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.840 4.095 1.073 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.096 5.058 2.977 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.644 5.868 3.533 1.00 0.23 H new ATOM 0 HG CYS A 65 -6.477 6.613 0.342 1.00 0.39 H new ATOM 863 N CYS A 66 -3.612 4.856 0.268 1.00 0.12 N ATOM 864 CA CYS A 66 -2.320 5.311 -0.223 1.00 0.13 C ATOM 865 C CYS A 66 -2.439 6.655 -0.929 1.00 0.16 C ATOM 866 O CYS A 66 -3.323 6.861 -1.761 1.00 0.23 O ATOM 867 CB CYS A 66 -1.726 4.264 -1.157 1.00 0.19 C ATOM 868 SG CYS A 66 -1.820 2.574 -0.483 1.00 0.65 S ATOM 0 H CYS A 66 -4.192 4.392 -0.431 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.655 5.446 0.630 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.250 4.298 -2.112 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -0.684 4.512 -1.356 1.00 0.19 H new ATOM 873 N SER A 67 -1.547 7.571 -0.572 1.00 0.24 N ATOM 874 CA SER A 67 -1.546 8.908 -1.140 1.00 0.29 C ATOM 875 C SER A 67 -0.798 8.938 -2.467 1.00 0.32 C ATOM 876 O SER A 67 -1.064 9.779 -3.326 1.00 0.41 O ATOM 877 CB SER A 67 -0.904 9.885 -0.158 1.00 0.35 C ATOM 878 OG SER A 67 -1.522 9.801 1.118 1.00 1.15 O ATOM 0 H SER A 67 -0.810 7.407 0.114 1.00 0.24 H new ATOM 0 HA SER A 67 -2.579 9.204 -1.325 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.160 9.668 -0.066 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.990 10.902 -0.542 1.00 0.35 H new ATOM 0 HG SER A 67 -1.094 10.434 1.731 1.00 1.15 H new ATOM 884 N ASP A 68 0.124 8.009 -2.627 1.00 0.30 N ATOM 885 CA ASP A 68 0.948 7.943 -3.823 1.00 0.37 C ATOM 886 C ASP A 68 0.440 6.847 -4.750 1.00 0.44 C ATOM 887 O ASP A 68 0.147 5.736 -4.310 1.00 0.57 O ATOM 888 CB ASP A 68 2.415 7.693 -3.453 1.00 0.43 C ATOM 889 CG ASP A 68 3.052 8.871 -2.736 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.728 9.684 -3.403 1.00 1.60 O ATOM 891 OD2 ASP A 68 2.890 8.994 -1.498 1.00 1.52 O ATOM 0 H ASP A 68 0.324 7.283 -1.939 1.00 0.30 H new ATOM 0 HA ASP A 68 0.884 8.899 -4.343 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.479 6.810 -2.818 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.981 7.476 -4.359 1.00 0.43 H new ATOM 896 N ASN A 69 0.342 7.162 -6.035 1.00 0.53 N ATOM 897 CA ASN A 69 -0.241 6.240 -7.005 1.00 0.63 C ATOM 898 C ASN A 69 0.841 5.517 -7.803 1.00 0.59 C ATOM 899 O ASN A 69 0.551 4.842 -8.790 1.00 0.64 O ATOM 900 CB ASN A 69 -1.187 6.978 -7.961 1.00 0.84 C ATOM 901 CG ASN A 69 -0.470 7.954 -8.879 1.00 1.67 C ATOM 902 OD1 ASN A 69 0.002 7.584 -9.954 1.00 2.35 O ATOM 903 ND2 ASN A 69 -0.403 9.212 -8.474 1.00 2.49 N ATOM 0 H ASN A 69 0.658 8.047 -6.431 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.812 5.498 -6.446 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.724 6.247 -8.566 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.933 7.519 -7.378 1.00 0.84 H new ATOM 0 HD21 ASN A 69 0.052 9.913 -9.059 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -0.806 9.481 -7.576 1.00 2.49 H new ATOM 910 N ASN A 70 2.085 5.660 -7.377 1.00 0.59 N ATOM 911 CA ASN A 70 3.199 5.005 -8.054 1.00 0.64 C ATOM 912 C ASN A 70 3.279 3.543 -7.637 1.00 0.55 C ATOM 913 O ASN A 70 3.726 3.220 -6.539 1.00 0.86 O ATOM 914 CB ASN A 70 4.518 5.729 -7.759 1.00 0.83 C ATOM 915 CG ASN A 70 4.623 7.069 -8.470 1.00 1.50 C ATOM 916 OD1 ASN A 70 3.617 7.723 -8.749 1.00 2.24 O ATOM 917 ND2 ASN A 70 5.840 7.491 -8.763 1.00 2.27 N ATOM 0 H ASN A 70 2.352 6.221 -6.568 1.00 0.59 H new ATOM 0 HA ASN A 70 3.027 5.050 -9.129 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.610 5.884 -6.684 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.351 5.095 -8.062 1.00 0.83 H new ATOM 0 HD21 ASN A 70 5.970 8.386 -9.236 1.00 2.27 H new ATOM 0 HD22 ASN A 70 6.650 6.922 -8.516 1.00 2.27 H new ATOM 924 N VAL A 71 2.824 2.663 -8.515 1.00 0.41 N ATOM 925 CA VAL A 71 2.718 1.247 -8.199 1.00 0.38 C ATOM 926 C VAL A 71 3.513 0.398 -9.189 1.00 0.33 C ATOM 927 O VAL A 71 3.414 0.579 -10.401 1.00 0.38 O ATOM 928 CB VAL A 71 1.237 0.808 -8.184 1.00 0.52 C ATOM 929 CG1 VAL A 71 1.084 -0.694 -8.024 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.477 1.539 -7.089 1.00 1.03 C ATOM 0 H VAL A 71 2.520 2.907 -9.458 1.00 0.41 H new ATOM 0 HA VAL A 71 3.142 1.092 -7.207 1.00 0.38 H new ATOM 0 HB VAL A 71 0.812 1.074 -9.152 1.00 0.52 H new ATOM 0 HG11 VAL A 71 0.025 -0.953 -8.019 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.578 -1.200 -8.853 1.00 1.10 H new ATOM 0 HG13 VAL A 71 1.539 -1.008 -7.084 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.565 1.218 -7.092 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.924 1.311 -6.121 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.526 2.613 -7.267 1.00 1.03 H new ATOM 940 N SER A 72 4.288 -0.536 -8.649 1.00 0.32 N ATOM 941 CA SER A 72 5.162 -1.402 -9.439 1.00 0.37 C ATOM 942 C SER A 72 4.379 -2.554 -10.068 1.00 0.42 C ATOM 943 O SER A 72 4.946 -3.431 -10.719 1.00 0.55 O ATOM 944 CB SER A 72 6.255 -1.968 -8.535 1.00 0.45 C ATOM 945 OG SER A 72 5.694 -2.824 -7.551 1.00 1.41 O ATOM 0 H SER A 72 4.329 -0.716 -7.646 1.00 0.32 H new ATOM 0 HA SER A 72 5.601 -0.809 -10.242 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.981 -2.519 -9.133 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.794 -1.153 -8.052 1.00 0.45 H new ATOM 0 HG SER A 72 6.070 -3.724 -7.647 1.00 1.41 H new ATOM 951 N GLY A 73 3.078 -2.548 -9.848 1.00 0.39 N ATOM 952 CA GLY A 73 2.224 -3.598 -10.356 1.00 0.48 C ATOM 953 C GLY A 73 1.386 -4.220 -9.270 1.00 0.41 C ATOM 954 O GLY A 73 0.249 -4.623 -9.514 1.00 0.48 O ATOM 0 H GLY A 73 2.591 -1.824 -9.319 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.572 -3.192 -11.129 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.836 -4.367 -10.827 1.00 0.48 H new ATOM 958 N VAL A 74 1.926 -4.273 -8.057 1.00 0.31 N ATOM 959 CA VAL A 74 1.199 -4.868 -6.945 1.00 0.28 C ATOM 960 C VAL A 74 1.354 -4.066 -5.656 1.00 0.22 C ATOM 961 O VAL A 74 0.673 -4.338 -4.671 1.00 0.34 O ATOM 962 CB VAL A 74 1.652 -6.320 -6.675 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.604 -7.154 -7.945 1.00 0.49 C ATOM 964 CG2 VAL A 74 3.040 -6.351 -6.059 1.00 0.38 C ATOM 0 H VAL A 74 2.852 -3.916 -7.822 1.00 0.31 H new ATOM 0 HA VAL A 74 0.151 -4.861 -7.245 1.00 0.28 H new ATOM 0 HB VAL A 74 0.956 -6.758 -5.960 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.928 -8.171 -7.725 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.584 -7.173 -8.329 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.265 -6.716 -8.693 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.335 -7.385 -5.879 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.751 -5.884 -6.741 1.00 0.38 H new ATOM 0 HG23 VAL A 74 3.031 -5.806 -5.115 1.00 0.38 H new ATOM 974 N ILE A 75 2.252 -3.090 -5.648 1.00 0.18 N ATOM 975 CA ILE A 75 2.524 -2.345 -4.424 1.00 0.17 C ATOM 976 C ILE A 75 1.616 -1.142 -4.257 1.00 0.16 C ATOM 977 O ILE A 75 0.738 -0.879 -5.072 1.00 0.20 O ATOM 978 CB ILE A 75 3.969 -1.838 -4.357 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.271 -0.937 -5.549 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.927 -3.004 -4.322 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.202 0.206 -5.217 1.00 0.30 C ATOM 0 H ILE A 75 2.797 -2.798 -6.460 1.00 0.18 H new ATOM 0 HA ILE A 75 2.340 -3.061 -3.623 1.00 0.17 H new ATOM 0 HB ILE A 75 4.094 -1.255 -3.444 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.713 -1.536 -6.345 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.335 -0.533 -5.936 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.951 -2.633 -4.274 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.722 -3.617 -3.444 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.801 -3.606 -5.222 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.374 0.806 -6.110 1.00 0.30 H new ATOM 0 HD12 ILE A 75 4.753 0.828 -4.443 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.152 -0.191 -4.858 1.00 0.30 H new ATOM 993 N ALA A 76 1.843 -0.439 -3.166 1.00 0.15 N ATOM 994 CA ALA A 76 1.173 0.810 -2.875 1.00 0.16 C ATOM 995 C ALA A 76 2.092 1.672 -2.012 1.00 0.14 C ATOM 996 O ALA A 76 2.801 1.144 -1.158 1.00 0.15 O ATOM 997 CB ALA A 76 -0.143 0.526 -2.176 1.00 0.18 C ATOM 0 H ALA A 76 2.508 -0.724 -2.447 1.00 0.15 H new ATOM 0 HA ALA A 76 0.953 1.352 -3.795 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.649 1.466 -1.956 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.775 -0.083 -2.823 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.047 -0.010 -1.246 1.00 0.18 H new ATOM 1003 N ILE A 77 2.107 2.980 -2.236 1.00 0.15 N ATOM 1004 CA ILE A 77 3.037 3.854 -1.523 1.00 0.16 C ATOM 1005 C ILE A 77 2.307 4.924 -0.711 1.00 0.16 C ATOM 1006 O ILE A 77 1.339 5.525 -1.181 1.00 0.21 O ATOM 1007 CB ILE A 77 4.025 4.532 -2.502 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.835 3.474 -3.254 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.955 5.483 -1.760 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.808 4.053 -4.258 1.00 0.26 C ATOM 0 H ILE A 77 1.494 3.457 -2.897 1.00 0.15 H new ATOM 0 HA ILE A 77 3.594 3.221 -0.832 1.00 0.16 H new ATOM 0 HB ILE A 77 3.449 5.112 -3.223 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.387 2.871 -2.533 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.149 2.804 -3.771 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.641 5.948 -2.468 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.366 6.255 -1.265 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.525 4.927 -1.015 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.346 3.244 -4.752 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.261 4.632 -5.002 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.518 4.701 -3.744 1.00 0.26 H new ATOM 1022 N GLY A 78 2.779 5.148 0.515 1.00 0.16 N ATOM 1023 CA GLY A 78 2.203 6.173 1.366 1.00 0.17 C ATOM 1024 C GLY A 78 0.819 5.799 1.834 1.00 0.15 C ATOM 1025 O GLY A 78 -0.127 6.572 1.682 1.00 0.17 O ATOM 0 H GLY A 78 3.554 4.634 0.934 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.848 6.333 2.230 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.160 7.116 0.821 1.00 0.17 H new ATOM 1029 N CYS A 79 0.700 4.609 2.398 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.598 4.073 2.767 1.00 0.13 C ATOM 1031 C CYS A 79 -0.850 4.177 4.260 1.00 0.13 C ATOM 1032 O CYS A 79 0.019 3.875 5.077 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.703 2.624 2.312 1.00 0.15 C ATOM 1034 SG CYS A 79 -0.127 2.362 0.610 1.00 0.65 S ATOM 0 H CYS A 79 1.487 3.996 2.610 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.362 4.669 2.268 1.00 0.13 H new ATOM 0 HB2 CYS A 79 -0.121 1.996 2.986 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.741 2.300 2.391 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.042 4.631 4.607 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.467 4.690 5.991 1.00 0.15 C ATOM 1041 C LEU A 80 -3.513 3.619 6.261 1.00 0.15 C ATOM 1042 O LEU A 80 -4.460 3.468 5.492 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.041 6.061 6.325 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.083 7.234 6.119 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.778 8.551 6.426 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.853 7.065 6.994 1.00 0.26 C ATOM 0 H LEU A 80 -2.737 4.967 3.940 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.596 4.515 6.622 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.928 6.225 5.713 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.367 6.057 7.365 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.770 7.248 5.075 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.080 9.375 6.274 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.634 8.674 5.763 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.118 8.550 7.462 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.178 7.906 6.839 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.154 7.029 8.041 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.344 6.138 6.731 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.343 2.855 7.345 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.268 1.777 7.714 1.00 0.17 C ATOM 1060 C PRO A 81 -5.670 2.288 8.032 1.00 0.21 C ATOM 1061 O PRO A 81 -5.857 3.106 8.934 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.629 1.161 8.964 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.212 1.625 8.953 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.228 2.974 8.295 1.00 0.17 C ATOM 0 HA PRO A 81 -4.404 1.070 6.896 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -4.142 1.487 9.869 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.686 0.073 8.939 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.814 1.689 9.966 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.577 0.930 8.404 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.394 3.775 9.016 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.287 3.190 7.790 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.648 1.803 7.282 1.00 0.23 N ATOM 1073 CA VAL A 82 -8.034 2.164 7.488 1.00 0.30 C ATOM 1074 C VAL A 82 -8.859 0.925 7.795 1.00 0.39 C ATOM 1075 O VAL A 82 -8.655 -0.127 7.189 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.636 2.878 6.262 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.153 4.318 6.179 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.305 2.133 4.983 1.00 0.20 C ATOM 0 H VAL A 82 -6.498 1.148 6.514 1.00 0.23 H new ATOM 0 HA VAL A 82 -8.062 2.854 8.332 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.719 2.887 6.382 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.592 4.799 5.305 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.454 4.855 7.079 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -7.066 4.333 6.093 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.741 2.658 4.133 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.223 2.082 4.861 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.712 1.123 5.034 1.00 0.20 H new