USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 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 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.21! C(o=-2.2!,f=-7.4!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.75 F(o=-2.3!,f=-0.75) USER MOD Single : A 16 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.74) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 26 THR OG1 : rot -5:sc= 0.956 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0277 F(o=-3!,f=-0.028) USER MOD Single : A 70 ASN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 72 SER OG : rot -39:sc= 0.0288 USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.301 7.111 -2.446 1.00 0.38 N ATOM 112 CA SER A 10 -7.059 5.985 -2.971 1.00 0.39 C ATOM 113 C SER A 10 -7.095 4.865 -1.938 1.00 0.28 C ATOM 114 O SER A 10 -6.224 4.793 -1.076 1.00 0.29 O ATOM 115 CB SER A 10 -6.425 5.491 -4.276 1.00 0.52 C ATOM 116 OG SER A 10 -7.251 4.537 -4.926 1.00 0.96 O ATOM 0 HA SER A 10 -8.080 6.303 -3.181 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.252 6.337 -4.941 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.452 5.048 -4.064 1.00 0.52 H new ATOM 0 HG SER A 10 -6.820 4.243 -5.756 1.00 0.96 H new ATOM 122 N ILE A 11 -8.122 4.030 -1.983 1.00 0.32 N ATOM 123 CA ILE A 11 -8.213 2.918 -1.048 1.00 0.27 C ATOM 124 C ILE A 11 -7.868 1.599 -1.713 1.00 0.20 C ATOM 125 O ILE A 11 -8.347 1.279 -2.802 1.00 0.26 O ATOM 126 CB ILE A 11 -9.602 2.808 -0.395 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.903 4.084 0.369 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.672 1.605 0.537 1.00 0.40 C ATOM 129 CD1 ILE A 11 -11.157 4.015 1.206 1.00 0.96 C ATOM 0 H ILE A 11 -8.894 4.098 -2.646 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.483 3.129 -0.266 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.348 2.669 -1.178 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -9.058 4.316 1.017 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.996 4.907 -0.340 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.664 1.550 0.986 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.479 0.694 -0.030 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.924 1.709 1.323 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.303 4.964 1.721 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -12.014 3.815 0.562 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -11.061 3.215 1.940 1.00 0.96 H new ATOM 141 N GLN A 12 -7.041 0.841 -1.026 1.00 0.13 N ATOM 142 CA GLN A 12 -6.623 -0.477 -1.480 1.00 0.10 C ATOM 143 C GLN A 12 -6.467 -1.413 -0.294 1.00 0.11 C ATOM 144 O GLN A 12 -6.407 -0.978 0.854 1.00 0.17 O ATOM 145 CB GLN A 12 -5.309 -0.434 -2.288 1.00 0.12 C ATOM 146 CG GLN A 12 -4.327 0.647 -1.870 1.00 0.22 C ATOM 147 CD GLN A 12 -4.600 1.984 -2.535 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.415 3.029 -1.931 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.991 1.964 -3.800 1.00 0.35 N ATOM 0 H GLN A 12 -6.635 1.119 -0.132 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.403 -0.848 -2.145 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.817 -1.403 -2.202 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.553 -0.293 -3.341 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.369 0.770 -0.788 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.315 0.325 -2.115 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.136 1.073 -4.275 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.147 2.840 -4.300 1.00 0.35 H new ATOM 158 N CYS A 13 -6.435 -2.700 -0.575 1.00 0.12 N ATOM 159 CA CYS A 13 -6.217 -3.698 0.450 1.00 0.16 C ATOM 160 C CYS A 13 -4.896 -4.402 0.185 1.00 0.13 C ATOM 161 O CYS A 13 -4.754 -5.151 -0.785 1.00 0.15 O ATOM 162 CB CYS A 13 -7.383 -4.695 0.504 1.00 0.25 C ATOM 163 SG CYS A 13 -7.112 -6.099 1.638 1.00 0.34 S ATOM 0 H CYS A 13 -6.558 -3.081 -1.513 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.170 -3.212 1.424 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.286 -4.165 0.808 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.563 -5.082 -0.499 1.00 0.25 H new ATOM 168 N CYS A 14 -3.925 -4.125 1.038 1.00 0.12 N ATOM 169 CA CYS A 14 -2.570 -4.610 0.853 1.00 0.12 C ATOM 170 C CYS A 14 -2.378 -5.963 1.495 1.00 0.15 C ATOM 171 O CYS A 14 -2.802 -6.193 2.626 1.00 0.19 O ATOM 172 CB CYS A 14 -1.563 -3.631 1.442 1.00 0.14 C ATOM 173 SG CYS A 14 -1.418 -2.046 0.549 1.00 0.13 S ATOM 0 H CYS A 14 -4.054 -3.559 1.876 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.404 -4.702 -0.220 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.841 -3.425 2.476 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.584 -4.109 1.465 1.00 0.14 H new ATOM 178 N GLN A 15 -1.735 -6.849 0.756 1.00 0.15 N ATOM 179 CA GLN A 15 -1.437 -8.183 1.230 1.00 0.16 C ATOM 180 C GLN A 15 -0.280 -8.131 2.227 1.00 0.18 C ATOM 181 O GLN A 15 -0.188 -8.959 3.130 1.00 0.23 O ATOM 182 CB GLN A 15 -1.148 -9.098 0.019 1.00 0.17 C ATOM 183 CG GLN A 15 0.272 -9.646 -0.084 1.00 0.23 C ATOM 184 CD GLN A 15 0.548 -10.794 0.873 1.00 0.31 C ATOM 185 OE1 GLN A 15 -0.480 -11.566 1.191 1.00 0.38 O flip ATOM 186 NE2 GLN A 15 1.679 -10.984 1.316 1.00 0.33 N flip ATOM 0 H GLN A 15 -1.405 -6.661 -0.191 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.291 -8.604 1.761 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.839 -9.940 0.053 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.368 -8.541 -0.892 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.450 -9.983 -1.105 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.979 -8.841 0.113 1.00 0.23 H new ATOM 0 HE21 GLN A 15 2.443 -10.365 1.045 1.00 0.33 H new ATOM 0 HE22 GLN A 15 1.853 -11.760 1.954 1.00 0.33 H new ATOM 195 N ASN A 16 0.585 -7.139 2.067 1.00 0.17 N ATOM 196 CA ASN A 16 1.703 -6.941 2.977 1.00 0.21 C ATOM 197 C ASN A 16 1.940 -5.457 3.225 1.00 0.21 C ATOM 198 O ASN A 16 2.488 -4.755 2.376 1.00 0.40 O ATOM 199 CB ASN A 16 2.974 -7.553 2.404 1.00 0.29 C ATOM 200 CG ASN A 16 3.659 -8.501 3.366 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.559 -8.355 4.586 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.367 -9.478 2.823 1.00 0.75 N ATOM 0 H ASN A 16 0.533 -6.456 1.311 1.00 0.17 H new ATOM 0 HA ASN A 16 1.454 -7.431 3.918 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.731 -8.088 1.486 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.666 -6.755 2.134 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.856 -10.146 3.419 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.424 -9.563 1.808 1.00 0.75 H new ATOM 209 N VAL A 17 1.519 -4.986 4.383 1.00 0.16 N ATOM 210 CA VAL A 17 1.737 -3.597 4.770 1.00 0.13 C ATOM 211 C VAL A 17 3.015 -3.485 5.591 1.00 0.14 C ATOM 212 O VAL A 17 3.057 -3.891 6.755 1.00 0.18 O ATOM 213 CB VAL A 17 0.550 -3.028 5.581 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.824 -1.589 6.000 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.730 -3.108 4.771 1.00 0.14 C ATOM 0 H VAL A 17 1.022 -5.544 5.077 1.00 0.16 H new ATOM 0 HA VAL A 17 1.827 -3.011 3.855 1.00 0.13 H new ATOM 0 HB VAL A 17 0.431 -3.630 6.482 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.024 -1.208 6.569 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.721 -1.555 6.618 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.971 -0.973 5.113 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.556 -2.704 5.356 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.617 -2.530 3.854 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.938 -4.148 4.521 1.00 0.14 H new ATOM 225 N VAL A 18 4.056 -2.949 4.978 1.00 0.12 N ATOM 226 CA VAL A 18 5.358 -2.858 5.617 1.00 0.13 C ATOM 227 C VAL A 18 5.938 -1.454 5.482 1.00 0.12 C ATOM 228 O VAL A 18 5.743 -0.790 4.468 1.00 0.12 O ATOM 229 CB VAL A 18 6.349 -3.877 5.009 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.967 -5.299 5.393 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.408 -3.735 3.494 1.00 0.13 C ATOM 0 H VAL A 18 4.024 -2.568 4.032 1.00 0.12 H new ATOM 0 HA VAL A 18 5.214 -3.086 6.673 1.00 0.13 H new ATOM 0 HB VAL A 18 7.339 -3.666 5.414 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.679 -5.998 4.954 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.982 -5.399 6.478 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.966 -5.519 5.022 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.111 -4.462 3.088 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.418 -3.913 3.073 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.736 -2.728 3.235 1.00 0.13 H new ATOM 241 N PRO A 19 6.621 -0.965 6.527 1.00 0.14 N ATOM 242 CA PRO A 19 7.364 0.295 6.458 1.00 0.15 C ATOM 243 C PRO A 19 8.430 0.253 5.369 1.00 0.12 C ATOM 244 O PRO A 19 9.101 -0.762 5.186 1.00 0.10 O ATOM 245 CB PRO A 19 8.010 0.421 7.841 1.00 0.17 C ATOM 246 CG PRO A 19 7.203 -0.462 8.730 1.00 0.19 C ATOM 247 CD PRO A 19 6.699 -1.582 7.862 1.00 0.17 C ATOM 0 HA PRO A 19 6.721 1.140 6.211 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.054 0.109 7.818 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.994 1.453 8.191 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.809 -0.847 9.550 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.374 0.088 9.177 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.377 -2.435 7.872 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.726 -1.944 8.196 1.00 0.17 H new ATOM 255 N GLY A 20 8.575 1.351 4.639 1.00 0.14 N ATOM 256 CA GLY A 20 9.550 1.407 3.566 1.00 0.13 C ATOM 257 C GLY A 20 10.975 1.357 4.080 1.00 0.14 C ATOM 258 O GLY A 20 11.902 1.032 3.337 1.00 0.18 O ATOM 0 H GLY A 20 8.034 2.206 4.771 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.383 0.574 2.883 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.405 2.323 2.993 1.00 0.13 H new ATOM 262 N ASP A 21 11.144 1.683 5.354 1.00 0.17 N ATOM 263 CA ASP A 21 12.441 1.608 6.016 1.00 0.21 C ATOM 264 C ASP A 21 12.514 0.351 6.878 1.00 0.19 C ATOM 265 O ASP A 21 13.462 0.150 7.637 1.00 0.23 O ATOM 266 CB ASP A 21 12.675 2.855 6.875 1.00 0.31 C ATOM 267 CG ASP A 21 11.684 2.982 8.020 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.112 3.237 9.165 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.468 2.806 7.782 1.00 2.27 O ATOM 0 H ASP A 21 10.388 2.006 5.958 1.00 0.17 H new ATOM 0 HA ASP A 21 13.221 1.561 5.256 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.687 2.826 7.279 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.609 3.742 6.244 1.00 0.31 H new ATOM 274 N SER A 22 11.497 -0.488 6.752 1.00 0.16 N ATOM 275 CA SER A 22 11.477 -1.778 7.419 1.00 0.17 C ATOM 276 C SER A 22 12.426 -2.730 6.722 1.00 0.16 C ATOM 277 O SER A 22 12.689 -2.574 5.535 1.00 0.14 O ATOM 278 CB SER A 22 10.062 -2.361 7.404 1.00 0.18 C ATOM 279 OG SER A 22 10.052 -3.727 7.778 1.00 0.24 O ATOM 0 H SER A 22 10.669 -0.295 6.189 1.00 0.16 H new ATOM 0 HA SER A 22 11.793 -1.643 8.453 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.428 -1.793 8.085 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.635 -2.254 6.407 1.00 0.18 H new ATOM 0 HG SER A 22 9.132 -4.065 7.759 1.00 0.24 H new ATOM 285 N ASP A 23 12.930 -3.717 7.438 1.00 0.20 N ATOM 286 CA ASP A 23 13.804 -4.714 6.827 1.00 0.22 C ATOM 287 C ASP A 23 13.102 -5.373 5.652 1.00 0.20 C ATOM 288 O ASP A 23 13.705 -5.606 4.603 1.00 0.22 O ATOM 289 CB ASP A 23 14.227 -5.767 7.846 1.00 0.29 C ATOM 290 CG ASP A 23 15.357 -5.286 8.726 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.083 -4.604 9.737 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.527 -5.574 8.405 1.00 0.61 O ATOM 0 H ASP A 23 12.755 -3.854 8.433 1.00 0.20 H new ATOM 0 HA ASP A 23 14.701 -4.209 6.468 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.372 -6.033 8.468 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.535 -6.673 7.324 1.00 0.29 H new ATOM 297 N LEU A 24 11.815 -5.635 5.829 1.00 0.20 N ATOM 298 CA LEU A 24 10.992 -6.180 4.767 1.00 0.21 C ATOM 299 C LEU A 24 10.759 -5.134 3.685 1.00 0.17 C ATOM 300 O LEU A 24 11.156 -5.321 2.539 1.00 0.18 O ATOM 301 CB LEU A 24 9.654 -6.654 5.332 1.00 0.26 C ATOM 302 CG LEU A 24 9.449 -8.166 5.342 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.331 -8.695 3.922 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.585 -8.860 6.078 1.00 1.11 C ATOM 0 H LEU A 24 11.318 -5.476 6.706 1.00 0.20 H new ATOM 0 HA LEU A 24 11.513 -7.029 4.325 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.558 -6.284 6.353 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.852 -6.199 4.751 1.00 0.26 H new ATOM 0 HG LEU A 24 8.520 -8.382 5.870 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.185 -9.775 3.947 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.480 -8.225 3.428 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.243 -8.465 3.371 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.418 -9.937 6.073 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.530 -8.637 5.582 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.623 -8.504 7.108 1.00 1.11 H new ATOM 316 N GLY A 25 10.143 -4.021 4.075 1.00 0.14 N ATOM 317 CA GLY A 25 9.773 -2.984 3.123 1.00 0.12 C ATOM 318 C GLY A 25 10.941 -2.480 2.301 1.00 0.12 C ATOM 319 O GLY A 25 10.818 -2.285 1.092 1.00 0.16 O ATOM 0 H GLY A 25 9.891 -3.817 5.042 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.007 -3.373 2.452 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.329 -2.147 3.662 1.00 0.12 H new ATOM 323 N THR A 26 12.080 -2.296 2.947 1.00 0.13 N ATOM 324 CA THR A 26 13.264 -1.787 2.278 1.00 0.16 C ATOM 325 C THR A 26 13.762 -2.789 1.248 1.00 0.20 C ATOM 326 O THR A 26 14.116 -2.419 0.133 1.00 0.24 O ATOM 327 CB THR A 26 14.384 -1.466 3.289 1.00 0.18 C ATOM 328 OG1 THR A 26 13.925 -0.491 4.231 1.00 0.20 O ATOM 329 CG2 THR A 26 15.626 -0.934 2.599 1.00 0.23 C ATOM 0 H THR A 26 12.209 -2.493 3.939 1.00 0.13 H new ATOM 0 HA THR A 26 12.989 -0.862 1.771 1.00 0.16 H new ATOM 0 HB THR A 26 14.641 -2.395 3.799 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.027 -0.190 3.979 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.392 -0.719 3.344 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.000 -1.680 1.898 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.379 -0.020 2.059 1.00 0.23 H new ATOM 337 N LEU A 27 13.746 -4.062 1.616 1.00 0.21 N ATOM 338 CA LEU A 27 14.153 -5.122 0.710 1.00 0.28 C ATOM 339 C LEU A 27 13.185 -5.186 -0.470 1.00 0.29 C ATOM 340 O LEU A 27 13.594 -5.392 -1.616 1.00 0.34 O ATOM 341 CB LEU A 27 14.196 -6.462 1.467 1.00 0.33 C ATOM 342 CG LEU A 27 14.938 -7.619 0.777 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.109 -8.220 -0.346 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.285 -7.150 0.248 1.00 1.00 C ATOM 0 H LEU A 27 13.454 -4.385 2.539 1.00 0.21 H new ATOM 0 HA LEU A 27 15.151 -4.916 0.324 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.661 -6.290 2.438 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.171 -6.780 1.656 1.00 0.33 H new ATOM 0 HG LEU A 27 15.105 -8.396 1.523 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.664 -9.035 -0.812 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.172 -8.603 0.058 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.896 -7.454 -1.091 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.795 -7.982 -0.237 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.133 -6.347 -0.474 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.893 -6.784 1.075 1.00 1.00 H new ATOM 356 N LEU A 28 11.906 -4.964 -0.185 1.00 0.27 N ATOM 357 CA LEU A 28 10.871 -5.045 -1.203 1.00 0.31 C ATOM 358 C LEU A 28 11.048 -3.942 -2.237 1.00 0.32 C ATOM 359 O LEU A 28 11.057 -4.202 -3.440 1.00 0.37 O ATOM 360 CB LEU A 28 9.473 -4.942 -0.579 1.00 0.31 C ATOM 361 CG LEU A 28 9.148 -5.970 0.510 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.651 -6.020 0.764 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.679 -7.343 0.142 1.00 0.37 C ATOM 0 H LEU A 28 11.563 -4.726 0.746 1.00 0.27 H new ATOM 0 HA LEU A 28 10.966 -6.014 -1.692 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.358 -3.944 -0.155 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.734 -5.038 -1.374 1.00 0.31 H new ATOM 0 HG LEU A 28 9.643 -5.658 1.429 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.438 -6.755 1.540 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.304 -5.039 1.088 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.135 -6.302 -0.154 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.434 -8.052 0.933 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.224 -7.671 -0.793 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.761 -7.294 0.021 1.00 0.37 H new ATOM 375 N LEU A 29 11.208 -2.712 -1.768 1.00 0.30 N ATOM 376 CA LEU A 29 11.329 -1.575 -2.670 1.00 0.32 C ATOM 377 C LEU A 29 12.714 -1.519 -3.302 1.00 0.36 C ATOM 378 O LEU A 29 12.900 -0.909 -4.353 1.00 0.41 O ATOM 379 CB LEU A 29 10.985 -0.261 -1.947 1.00 0.30 C ATOM 380 CG LEU A 29 11.815 0.104 -0.708 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.208 0.587 -1.082 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.098 1.173 0.093 1.00 0.31 C ATOM 0 H LEU A 29 11.257 -2.477 -0.777 1.00 0.30 H new ATOM 0 HA LEU A 29 10.608 -1.707 -3.477 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.078 0.553 -2.666 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.937 -0.305 -1.649 1.00 0.30 H new ATOM 0 HG LEU A 29 11.927 -0.797 -0.106 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.762 0.835 -0.177 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.732 -0.200 -1.625 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.129 1.472 -1.713 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.691 1.429 0.971 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.963 2.061 -0.525 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.124 0.799 0.409 1.00 0.31 H new ATOM 394 N ASP A 30 13.680 -2.156 -2.656 1.00 0.34 N ATOM 395 CA ASP A 30 15.031 -2.276 -3.200 1.00 0.39 C ATOM 396 C ASP A 30 15.004 -3.142 -4.447 1.00 0.43 C ATOM 397 O ASP A 30 15.750 -2.927 -5.399 1.00 0.49 O ATOM 398 CB ASP A 30 15.960 -2.899 -2.161 1.00 0.41 C ATOM 399 CG ASP A 30 17.401 -2.966 -2.617 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.856 -4.066 -3.001 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.078 -1.920 -2.610 1.00 0.63 O ATOM 0 H ASP A 30 13.554 -2.602 -1.747 1.00 0.34 H new ATOM 0 HA ASP A 30 15.401 -1.283 -3.457 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.904 -2.321 -1.239 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.612 -3.905 -1.928 1.00 0.41 H new ATOM 406 N GLU A 31 14.105 -4.109 -4.425 1.00 0.43 N ATOM 407 CA GLU A 31 13.915 -5.027 -5.531 1.00 0.49 C ATOM 408 C GLU A 31 13.152 -4.322 -6.648 1.00 0.51 C ATOM 409 O GLU A 31 13.262 -4.661 -7.829 1.00 0.62 O ATOM 410 CB GLU A 31 13.129 -6.239 -5.025 1.00 0.52 C ATOM 411 CG GLU A 31 13.607 -7.566 -5.576 1.00 0.97 C ATOM 412 CD GLU A 31 13.315 -7.728 -7.049 1.00 1.46 C ATOM 413 OE1 GLU A 31 12.141 -7.945 -7.408 1.00 1.76 O ATOM 414 OE2 GLU A 31 14.263 -7.636 -7.859 1.00 2.07 O ATOM 0 H GLU A 31 13.483 -4.280 -3.635 1.00 0.43 H new ATOM 0 HA GLU A 31 14.876 -5.358 -5.924 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.189 -6.268 -3.937 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.078 -6.109 -5.283 1.00 0.52 H new ATOM 0 HG2 GLU A 31 14.681 -7.657 -5.411 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.130 -8.376 -5.025 1.00 0.97 H new ATOM 421 N LEU A 32 12.395 -3.314 -6.252 1.00 0.52 N ATOM 422 CA LEU A 32 11.526 -2.589 -7.159 1.00 0.58 C ATOM 423 C LEU A 32 12.204 -1.339 -7.717 1.00 0.61 C ATOM 424 O LEU A 32 11.762 -0.776 -8.718 1.00 0.71 O ATOM 425 CB LEU A 32 10.243 -2.219 -6.424 1.00 0.56 C ATOM 426 CG LEU A 32 9.354 -3.402 -6.040 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.169 -2.929 -5.219 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.876 -4.147 -7.279 1.00 0.64 C ATOM 0 H LEU A 32 12.366 -2.975 -5.290 1.00 0.52 H new ATOM 0 HA LEU A 32 11.296 -3.231 -8.009 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.506 -1.672 -5.518 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.666 -1.539 -7.051 1.00 0.56 H new ATOM 0 HG LEU A 32 9.946 -4.090 -5.436 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.546 -3.783 -4.954 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.526 -2.444 -4.310 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.582 -2.219 -5.802 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.245 -4.984 -6.980 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.303 -3.470 -7.912 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.737 -4.521 -7.833 1.00 0.64 H new ATOM 440 N GLY A 33 13.276 -0.913 -7.059 1.00 0.57 N ATOM 441 CA GLY A 33 14.027 0.242 -7.515 1.00 0.62 C ATOM 442 C GLY A 33 13.383 1.553 -7.108 1.00 0.63 C ATOM 443 O GLY A 33 13.429 2.532 -7.853 1.00 0.75 O ATOM 0 H GLY A 33 13.640 -1.350 -6.212 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.038 0.197 -7.110 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.117 0.207 -8.601 1.00 0.62 H new ATOM 447 N ILE A 34 12.785 1.576 -5.924 1.00 0.54 N ATOM 448 CA ILE A 34 12.091 2.761 -5.440 1.00 0.58 C ATOM 449 C ILE A 34 12.978 3.554 -4.489 1.00 0.65 C ATOM 450 O ILE A 34 13.566 2.992 -3.559 1.00 0.68 O ATOM 451 CB ILE A 34 10.790 2.392 -4.698 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.983 1.367 -5.499 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.958 3.641 -4.438 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.788 0.826 -4.747 1.00 0.56 C ATOM 0 H ILE A 34 12.767 0.785 -5.280 1.00 0.54 H new ATOM 0 HA ILE A 34 11.847 3.364 -6.315 1.00 0.58 H new ATOM 0 HB ILE A 34 11.054 1.944 -3.740 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.642 1.828 -6.426 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.635 0.538 -5.776 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.043 3.366 -3.914 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.530 4.339 -3.827 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.705 4.113 -5.387 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.261 0.105 -5.372 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.124 0.336 -3.833 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.116 1.646 -4.493 1.00 0.56 H new ATOM 466 N VAL A 35 13.077 4.851 -4.720 1.00 0.77 N ATOM 467 CA VAL A 35 13.829 5.724 -3.835 1.00 0.89 C ATOM 468 C VAL A 35 12.912 6.789 -3.222 1.00 0.74 C ATOM 469 O VAL A 35 12.564 7.791 -3.852 1.00 0.90 O ATOM 470 CB VAL A 35 15.037 6.371 -4.554 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.617 7.104 -5.820 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.779 7.301 -3.609 1.00 1.87 C ATOM 0 H VAL A 35 12.646 5.324 -5.514 1.00 0.77 H new ATOM 0 HA VAL A 35 14.230 5.111 -3.028 1.00 0.89 H new ATOM 0 HB VAL A 35 15.711 5.570 -4.856 1.00 1.24 H new ATOM 0 HG11 VAL A 35 15.495 7.544 -6.294 1.00 1.84 H new ATOM 0 HG12 VAL A 35 14.146 6.402 -6.508 1.00 1.84 H new ATOM 0 HG13 VAL A 35 13.909 7.893 -5.566 1.00 1.84 H new ATOM 0 HG21 VAL A 35 16.626 7.748 -4.129 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.105 8.088 -3.269 1.00 1.87 H new ATOM 0 HG23 VAL A 35 16.139 6.735 -2.750 1.00 1.87 H new ATOM 482 N LEU A 36 12.504 6.546 -1.987 1.00 0.70 N ATOM 483 CA LEU A 36 11.573 7.424 -1.296 1.00 0.66 C ATOM 484 C LEU A 36 12.285 8.616 -0.675 1.00 0.68 C ATOM 485 O LEU A 36 13.413 8.502 -0.189 1.00 0.84 O ATOM 486 CB LEU A 36 10.860 6.633 -0.209 1.00 0.86 C ATOM 487 CG LEU A 36 10.107 5.406 -0.705 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.808 4.474 0.448 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.829 5.826 -1.404 1.00 2.76 C ATOM 0 H LEU A 36 12.806 5.741 -1.438 1.00 0.70 H new ATOM 0 HA LEU A 36 10.855 7.805 -2.022 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.594 6.317 0.532 1.00 0.86 H new ATOM 0 HB3 LEU A 36 10.157 7.293 0.300 1.00 0.86 H new ATOM 0 HG LEU A 36 10.731 4.873 -1.422 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.269 3.601 0.080 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.742 4.156 0.910 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.196 4.993 1.186 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.298 4.941 -1.755 1.00 2.76 H new ATOM 0 HD22 LEU A 36 8.197 6.376 -0.707 1.00 2.76 H new ATOM 0 HD23 LEU A 36 9.072 6.464 -2.254 1.00 2.76 H new ATOM 501 N GLU A 37 11.610 9.760 -0.710 1.00 0.72 N ATOM 502 CA GLU A 37 12.086 10.970 -0.053 1.00 0.84 C ATOM 503 C GLU A 37 11.968 10.802 1.454 1.00 0.76 C ATOM 504 O GLU A 37 12.828 11.238 2.219 1.00 0.88 O ATOM 505 CB GLU A 37 11.257 12.170 -0.510 1.00 1.02 C ATOM 506 CG GLU A 37 11.292 12.401 -2.012 1.00 1.42 C ATOM 507 CD GLU A 37 10.220 13.367 -2.471 1.00 2.06 C ATOM 508 OE1 GLU A 37 9.109 12.912 -2.823 1.00 2.65 O ATOM 509 OE2 GLU A 37 10.488 14.586 -2.492 1.00 2.58 O ATOM 0 H GLU A 37 10.719 9.874 -1.194 1.00 0.72 H new ATOM 0 HA GLU A 37 13.129 11.142 -0.318 1.00 0.84 H new ATOM 0 HB2 GLU A 37 10.223 12.026 -0.198 1.00 1.02 H new ATOM 0 HB3 GLU A 37 11.621 13.065 -0.005 1.00 1.02 H new ATOM 0 HG2 GLU A 37 12.271 12.787 -2.295 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.164 11.449 -2.527 1.00 1.42 H new ATOM 516 N ASP A 38 10.884 10.161 1.864 1.00 0.61 N ATOM 517 CA ASP A 38 10.669 9.800 3.249 1.00 0.54 C ATOM 518 C ASP A 38 10.411 8.309 3.321 1.00 0.41 C ATOM 519 O ASP A 38 9.272 7.865 3.194 1.00 0.39 O ATOM 520 CB ASP A 38 9.482 10.559 3.852 1.00 0.60 C ATOM 521 CG ASP A 38 9.797 12.005 4.166 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.528 12.875 3.311 1.00 1.20 O ATOM 523 OD2 ASP A 38 10.338 12.280 5.257 1.00 2.29 O ATOM 0 H ASP A 38 10.129 9.877 1.240 1.00 0.61 H new ATOM 0 HA ASP A 38 11.556 10.067 3.824 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.643 10.519 3.157 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.164 10.056 4.765 1.00 0.60 H new ATOM 528 N PRO A 39 11.467 7.506 3.514 1.00 0.41 N ATOM 529 CA PRO A 39 11.349 6.045 3.560 1.00 0.40 C ATOM 530 C PRO A 39 10.588 5.573 4.793 1.00 0.32 C ATOM 531 O PRO A 39 10.434 4.380 5.025 1.00 0.35 O ATOM 532 CB PRO A 39 12.802 5.566 3.604 1.00 0.57 C ATOM 533 CG PRO A 39 13.567 6.715 4.167 1.00 0.64 C ATOM 534 CD PRO A 39 12.860 7.955 3.698 1.00 0.57 C ATOM 0 HA PRO A 39 10.790 5.652 2.711 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.907 4.678 4.227 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.161 5.301 2.609 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.594 6.670 5.256 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.601 6.702 3.822 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.930 8.759 4.431 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.286 8.333 2.769 1.00 0.57 H new ATOM 542 N THR A 40 10.090 6.524 5.564 1.00 0.30 N ATOM 543 CA THR A 40 9.384 6.225 6.794 1.00 0.31 C ATOM 544 C THR A 40 7.925 5.878 6.519 1.00 0.28 C ATOM 545 O THR A 40 7.213 5.392 7.399 1.00 0.48 O ATOM 546 CB THR A 40 9.465 7.415 7.765 1.00 0.42 C ATOM 547 OG1 THR A 40 9.145 8.632 7.076 1.00 0.51 O ATOM 548 CG2 THR A 40 10.855 7.520 8.370 1.00 0.49 C ATOM 0 H THR A 40 10.164 7.520 5.355 1.00 0.30 H new ATOM 0 HA THR A 40 9.864 5.360 7.251 1.00 0.31 H new ATOM 0 HB THR A 40 8.746 7.253 8.568 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.197 9.385 7.701 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.891 8.368 9.054 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.085 6.604 8.915 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.588 7.663 7.576 1.00 0.49 H new ATOM 556 N VAL A 41 7.493 6.120 5.287 1.00 0.20 N ATOM 557 CA VAL A 41 6.120 5.846 4.884 1.00 0.17 C ATOM 558 C VAL A 41 5.860 4.344 4.782 1.00 0.14 C ATOM 559 O VAL A 41 6.792 3.541 4.683 1.00 0.15 O ATOM 560 CB VAL A 41 5.785 6.514 3.532 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.871 8.027 3.654 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.709 6.008 2.432 1.00 0.23 C ATOM 0 H VAL A 41 8.078 6.508 4.547 1.00 0.20 H new ATOM 0 HA VAL A 41 5.476 6.267 5.656 1.00 0.17 H new ATOM 0 HB VAL A 41 4.764 6.246 3.261 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.632 8.484 2.693 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.162 8.372 4.406 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.881 8.311 3.950 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.453 6.493 1.490 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.743 6.239 2.690 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.594 4.929 2.328 1.00 0.23 H new ATOM 572 N LEU A 42 4.589 3.974 4.820 1.00 0.14 N ATOM 573 CA LEU A 42 4.195 2.579 4.720 1.00 0.14 C ATOM 574 C LEU A 42 3.945 2.200 3.273 1.00 0.12 C ATOM 575 O LEU A 42 3.187 2.869 2.570 1.00 0.15 O ATOM 576 CB LEU A 42 2.931 2.314 5.545 1.00 0.16 C ATOM 577 CG LEU A 42 3.073 2.527 7.053 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.737 2.319 7.750 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.123 1.587 7.621 1.00 0.22 C ATOM 0 H LEU A 42 3.810 4.625 4.920 1.00 0.14 H new ATOM 0 HA LEU A 42 5.009 1.970 5.113 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.136 2.962 5.177 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.612 1.287 5.369 1.00 0.16 H new ATOM 0 HG LEU A 42 3.394 3.553 7.230 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.858 2.475 8.822 1.00 0.20 H new ATOM 0 HD12 LEU A 42 1.009 3.030 7.360 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.386 1.303 7.568 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.214 1.749 8.695 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.827 0.555 7.434 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.083 1.782 7.142 1.00 0.22 H new ATOM 591 N ILE A 43 4.588 1.135 2.830 1.00 0.11 N ATOM 592 CA ILE A 43 4.369 0.631 1.488 1.00 0.10 C ATOM 593 C ILE A 43 3.569 -0.663 1.533 1.00 0.11 C ATOM 594 O ILE A 43 3.812 -1.533 2.372 1.00 0.15 O ATOM 595 CB ILE A 43 5.683 0.413 0.702 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.720 -0.340 1.537 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.244 1.748 0.233 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.916 -0.794 0.730 1.00 0.14 C ATOM 0 H ILE A 43 5.264 0.604 3.379 1.00 0.11 H new ATOM 0 HA ILE A 43 3.804 1.397 0.956 1.00 0.10 H new ATOM 0 HB ILE A 43 5.453 -0.201 -0.169 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.060 0.303 2.349 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.247 -1.209 1.995 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.169 1.580 -0.319 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.519 2.240 -0.415 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.447 2.381 1.097 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.614 -1.322 1.380 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.586 -1.462 -0.066 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.411 0.074 0.294 1.00 0.14 H new ATOM 610 N GLY A 44 2.606 -0.775 0.639 1.00 0.13 N ATOM 611 CA GLY A 44 1.715 -1.909 0.651 1.00 0.16 C ATOM 612 C GLY A 44 1.926 -2.843 -0.515 1.00 0.17 C ATOM 613 O GLY A 44 1.427 -2.604 -1.611 1.00 0.31 O ATOM 0 H GLY A 44 2.424 -0.096 -0.100 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.853 -2.462 1.580 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.685 -1.553 0.642 1.00 0.16 H new ATOM 617 N ASP A 45 2.653 -3.914 -0.276 1.00 0.18 N ATOM 618 CA ASP A 45 2.883 -4.920 -1.303 1.00 0.20 C ATOM 619 C ASP A 45 1.662 -5.826 -1.408 1.00 0.20 C ATOM 620 O ASP A 45 1.028 -6.132 -0.399 1.00 0.29 O ATOM 621 CB ASP A 45 4.137 -5.743 -0.981 1.00 0.32 C ATOM 622 CG ASP A 45 4.465 -6.758 -2.057 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.997 -6.361 -3.114 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.213 -7.960 -1.846 1.00 0.57 O ATOM 0 H ASP A 45 3.097 -4.115 0.620 1.00 0.18 H new ATOM 0 HA ASP A 45 3.043 -4.423 -2.260 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.985 -5.070 -0.852 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.993 -6.260 -0.032 1.00 0.32 H new ATOM 629 N GLY A 46 1.307 -6.222 -2.622 1.00 0.18 N ATOM 630 CA GLY A 46 0.148 -7.073 -2.800 1.00 0.21 C ATOM 631 C GLY A 46 -1.148 -6.328 -2.568 1.00 0.18 C ATOM 632 O GLY A 46 -2.070 -6.852 -1.950 1.00 0.18 O ATOM 0 H GLY A 46 1.797 -5.972 -3.481 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.153 -7.485 -3.809 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.209 -7.916 -2.112 1.00 0.21 H new ATOM 636 N CYS A 47 -1.229 -5.105 -3.059 1.00 0.17 N ATOM 637 CA CYS A 47 -2.362 -4.254 -2.753 1.00 0.15 C ATOM 638 C CYS A 47 -3.316 -4.147 -3.931 1.00 0.19 C ATOM 639 O CYS A 47 -2.946 -3.686 -5.012 1.00 0.25 O ATOM 640 CB CYS A 47 -1.877 -2.868 -2.339 1.00 0.15 C ATOM 641 SG CYS A 47 -2.791 -2.154 -0.939 1.00 0.12 S ATOM 0 H CYS A 47 -0.528 -4.682 -3.667 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.908 -4.707 -1.926 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.820 -2.927 -2.078 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.957 -2.196 -3.193 1.00 0.15 H new ATOM 646 N ASP A 48 -4.536 -4.607 -3.716 1.00 0.19 N ATOM 647 CA ASP A 48 -5.598 -4.478 -4.702 1.00 0.24 C ATOM 648 C ASP A 48 -6.536 -3.340 -4.324 1.00 0.21 C ATOM 649 O ASP A 48 -6.912 -3.194 -3.164 1.00 0.19 O ATOM 650 CB ASP A 48 -6.359 -5.796 -4.846 1.00 0.30 C ATOM 651 CG ASP A 48 -7.758 -5.646 -5.417 1.00 1.50 C ATOM 652 OD1 ASP A 48 -7.886 -5.418 -6.639 1.00 2.21 O ATOM 653 OD2 ASP A 48 -8.731 -5.719 -4.639 1.00 2.02 O ATOM 0 H ASP A 48 -4.819 -5.079 -2.857 1.00 0.19 H new ATOM 0 HA ASP A 48 -5.152 -4.242 -5.668 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -5.786 -6.465 -5.488 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.427 -6.273 -3.868 1.00 0.30 H new ATOM 658 N PRO A 49 -6.910 -2.521 -5.307 1.00 0.26 N ATOM 659 CA PRO A 49 -7.769 -1.362 -5.093 1.00 0.28 C ATOM 660 C PRO A 49 -9.184 -1.769 -4.701 1.00 0.31 C ATOM 661 O PRO A 49 -9.863 -2.472 -5.448 1.00 0.37 O ATOM 662 CB PRO A 49 -7.782 -0.628 -6.436 1.00 0.35 C ATOM 663 CG PRO A 49 -6.979 -1.443 -7.400 1.00 0.44 C ATOM 664 CD PRO A 49 -6.545 -2.708 -6.709 1.00 0.34 C ATOM 0 HA PRO A 49 -7.398 -0.742 -4.277 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.803 -0.504 -6.796 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.358 0.371 -6.332 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -7.572 -1.678 -8.283 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -6.110 -0.880 -7.740 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -7.043 -3.580 -7.133 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -5.473 -2.869 -6.819 1.00 0.34 H new ATOM 672 N ILE A 50 -9.630 -1.324 -3.533 1.00 0.30 N ATOM 673 CA ILE A 50 -10.950 -1.691 -3.043 1.00 0.36 C ATOM 674 C ILE A 50 -12.010 -0.830 -3.712 1.00 0.43 C ATOM 675 O ILE A 50 -12.323 0.271 -3.254 1.00 0.46 O ATOM 676 CB ILE A 50 -11.071 -1.545 -1.513 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.865 -2.167 -0.818 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.343 -2.214 -1.023 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.919 -2.055 0.691 1.00 0.31 C ATOM 0 H ILE A 50 -9.100 -0.713 -2.912 1.00 0.30 H new ATOM 0 HA ILE A 50 -11.101 -2.742 -3.291 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.107 -0.483 -1.272 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.798 -3.219 -1.095 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.957 -1.684 -1.179 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.418 -2.105 0.059 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.206 -1.745 -1.496 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.319 -3.273 -1.280 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.031 -2.517 1.122 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.956 -1.004 0.977 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.809 -2.563 1.062 1.00 0.31 H new ATOM 782 N CYS A 59 -11.462 -7.179 1.276 1.00 0.45 N ATOM 783 CA CYS A 59 -10.086 -7.073 1.741 1.00 0.54 C ATOM 784 C CYS A 59 -9.626 -8.377 2.376 1.00 0.55 C ATOM 785 O CYS A 59 -10.167 -8.807 3.393 1.00 0.74 O ATOM 786 CB CYS A 59 -9.940 -5.921 2.735 1.00 0.73 C ATOM 787 SG CYS A 59 -8.225 -5.636 3.275 1.00 0.74 S ATOM 0 HA CYS A 59 -9.454 -6.870 0.877 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.325 -5.009 2.280 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.558 -6.126 3.609 1.00 0.73 H new ATOM 792 N SER A 60 -8.626 -9.002 1.774 1.00 0.64 N ATOM 793 CA SER A 60 -8.145 -10.293 2.239 1.00 0.86 C ATOM 794 C SER A 60 -7.024 -10.153 3.270 1.00 0.71 C ATOM 795 O SER A 60 -6.699 -11.112 3.974 1.00 1.05 O ATOM 796 CB SER A 60 -7.663 -11.118 1.054 1.00 1.24 C ATOM 797 OG SER A 60 -8.676 -11.223 0.067 1.00 2.14 O ATOM 0 H SER A 60 -8.131 -8.635 0.961 1.00 0.64 H new ATOM 0 HA SER A 60 -8.976 -10.799 2.730 1.00 0.86 H new ATOM 0 HB2 SER A 60 -6.775 -10.657 0.622 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.374 -12.113 1.392 1.00 1.24 H new ATOM 0 HG SER A 60 -8.345 -11.755 -0.686 1.00 2.14 H new ATOM 803 N ALA A 61 -6.430 -8.969 3.368 1.00 0.38 N ATOM 804 CA ALA A 61 -5.322 -8.776 4.293 1.00 0.32 C ATOM 805 C ALA A 61 -5.477 -7.501 5.125 1.00 0.32 C ATOM 806 O ALA A 61 -5.955 -7.555 6.257 1.00 0.54 O ATOM 807 CB ALA A 61 -3.997 -8.794 3.546 1.00 0.38 C ATOM 0 H ALA A 61 -6.691 -8.143 2.829 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.333 -9.608 4.997 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.179 -8.648 4.252 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -3.876 -9.753 3.043 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -3.985 -7.993 2.807 1.00 0.38 H new ATOM 813 N THR A 62 -5.081 -6.357 4.577 1.00 0.22 N ATOM 814 CA THR A 62 -5.112 -5.109 5.335 1.00 0.19 C ATOM 815 C THR A 62 -5.619 -3.944 4.482 1.00 0.18 C ATOM 816 O THR A 62 -5.129 -3.712 3.379 1.00 0.20 O ATOM 817 CB THR A 62 -3.708 -4.772 5.879 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.163 -5.914 6.556 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.754 -3.591 6.840 1.00 0.24 C ATOM 0 H THR A 62 -4.738 -6.267 3.621 1.00 0.22 H new ATOM 0 HA THR A 62 -5.801 -5.253 6.167 1.00 0.19 H new ATOM 0 HB THR A 62 -3.076 -4.503 5.033 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.271 -5.696 6.899 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.749 -3.380 7.205 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.144 -2.715 6.321 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.403 -3.832 7.682 1.00 0.24 H new ATOM 827 N ALA A 63 -6.591 -3.210 5.008 1.00 0.19 N ATOM 828 CA ALA A 63 -7.176 -2.085 4.299 1.00 0.20 C ATOM 829 C ALA A 63 -6.367 -0.830 4.546 1.00 0.17 C ATOM 830 O ALA A 63 -6.073 -0.479 5.692 1.00 0.19 O ATOM 831 CB ALA A 63 -8.616 -1.865 4.731 1.00 0.25 C ATOM 0 H ALA A 63 -6.992 -3.378 5.931 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.164 -2.312 3.233 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.034 -1.018 4.187 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.201 -2.759 4.515 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.648 -1.660 5.801 1.00 0.25 H new ATOM 837 N VAL A 64 -6.012 -0.157 3.474 1.00 0.14 N ATOM 838 CA VAL A 64 -5.187 1.029 3.561 1.00 0.13 C ATOM 839 C VAL A 64 -5.633 2.085 2.561 1.00 0.14 C ATOM 840 O VAL A 64 -6.293 1.788 1.564 1.00 0.21 O ATOM 841 CB VAL A 64 -3.705 0.699 3.302 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.081 -0.020 4.489 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.580 -0.142 2.047 1.00 0.19 C ATOM 0 H VAL A 64 -6.284 -0.413 2.525 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.300 1.417 4.573 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.164 1.635 3.163 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -2.035 -0.238 4.273 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.145 0.614 5.373 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.616 -0.952 4.672 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.530 -0.373 1.867 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.139 -1.069 2.173 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.980 0.411 1.197 1.00 0.19 H new ATOM 853 N CYS A 65 -5.277 3.316 2.851 1.00 0.17 N ATOM 854 CA CYS A 65 -5.502 4.420 1.945 1.00 0.17 C ATOM 855 C CYS A 65 -4.160 4.981 1.519 1.00 0.13 C ATOM 856 O CYS A 65 -3.438 5.555 2.334 1.00 0.14 O ATOM 857 CB CYS A 65 -6.335 5.511 2.617 1.00 0.23 C ATOM 858 SG CYS A 65 -6.515 7.019 1.607 1.00 0.39 S ATOM 0 H CYS A 65 -4.822 3.581 3.725 1.00 0.17 H new ATOM 0 HA CYS A 65 -6.052 4.065 1.074 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.325 5.114 2.842 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.874 5.774 3.569 1.00 0.23 H new ATOM 0 HG CYS A 65 -7.236 7.889 2.251 1.00 0.39 H new ATOM 863 N CYS A 66 -3.808 4.799 0.261 1.00 0.12 N ATOM 864 CA CYS A 66 -2.485 5.168 -0.191 1.00 0.13 C ATOM 865 C CYS A 66 -2.498 6.464 -0.986 1.00 0.16 C ATOM 866 O CYS A 66 -3.365 6.697 -1.836 1.00 0.23 O ATOM 867 CB CYS A 66 -1.871 4.028 -0.992 1.00 0.19 C ATOM 868 SG CYS A 66 -0.116 3.756 -0.623 1.00 0.65 S ATOM 0 H CYS A 66 -4.413 4.402 -0.458 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.865 5.349 0.687 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.424 3.111 -0.789 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.983 4.239 -2.056 1.00 0.19 H new ATOM 873 N SER A 67 -1.524 7.311 -0.676 1.00 0.24 N ATOM 874 CA SER A 67 -1.438 8.644 -1.241 1.00 0.29 C ATOM 875 C SER A 67 -0.808 8.618 -2.626 1.00 0.32 C ATOM 876 O SER A 67 -1.191 9.389 -3.512 1.00 0.41 O ATOM 877 CB SER A 67 -0.637 9.548 -0.298 1.00 0.35 C ATOM 878 OG SER A 67 -0.608 10.889 -0.757 1.00 1.15 O ATOM 0 H SER A 67 -0.772 7.088 -0.024 1.00 0.24 H new ATOM 0 HA SER A 67 -2.447 9.042 -1.350 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.076 9.514 0.699 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.382 9.171 -0.211 1.00 0.35 H new ATOM 0 HG SER A 67 -0.090 11.438 -0.131 1.00 1.15 H new ATOM 884 N ASP A 68 0.145 7.728 -2.818 1.00 0.30 N ATOM 885 CA ASP A 68 0.823 7.617 -4.101 1.00 0.37 C ATOM 886 C ASP A 68 0.127 6.595 -4.981 1.00 0.44 C ATOM 887 O ASP A 68 -0.190 5.491 -4.541 1.00 0.57 O ATOM 888 CB ASP A 68 2.292 7.241 -3.931 1.00 0.43 C ATOM 889 CG ASP A 68 3.006 7.146 -5.263 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.306 6.027 -5.709 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.252 8.202 -5.880 1.00 1.52 O ATOM 0 H ASP A 68 0.469 7.072 -2.107 1.00 0.30 H new ATOM 0 HA ASP A 68 0.779 8.595 -4.580 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.787 7.984 -3.305 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.365 6.286 -3.411 1.00 0.43 H new ATOM 896 N ASN A 69 -0.132 6.979 -6.220 1.00 0.53 N ATOM 897 CA ASN A 69 -0.839 6.114 -7.155 1.00 0.63 C ATOM 898 C ASN A 69 0.114 5.540 -8.197 1.00 0.59 C ATOM 899 O ASN A 69 -0.318 4.935 -9.179 1.00 0.64 O ATOM 900 CB ASN A 69 -1.973 6.883 -7.848 1.00 0.84 C ATOM 901 CG ASN A 69 -3.182 7.121 -6.951 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.960 7.235 -5.651 1.00 2.35 O flip ATOM 903 ND2 ASN A 69 -4.313 7.208 -7.430 1.00 2.49 N flip ATOM 0 H ASN A 69 0.136 7.885 -6.604 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.267 5.288 -6.588 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.592 7.844 -8.193 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -2.290 6.329 -8.732 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -4.449 7.115 -8.437 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -5.114 7.373 -6.820 1.00 2.49 H new ATOM 910 N ASN A 70 1.412 5.710 -7.971 1.00 0.59 N ATOM 911 CA ASN A 70 2.418 5.234 -8.911 1.00 0.64 C ATOM 912 C ASN A 70 2.914 3.861 -8.483 1.00 0.55 C ATOM 913 O ASN A 70 4.033 3.706 -7.990 1.00 0.86 O ATOM 914 CB ASN A 70 3.591 6.213 -9.011 1.00 0.83 C ATOM 915 CG ASN A 70 3.164 7.598 -9.462 1.00 1.50 C ATOM 916 OD1 ASN A 70 3.052 7.869 -10.657 1.00 2.24 O ATOM 917 ND2 ASN A 70 2.945 8.493 -8.513 1.00 2.27 N ATOM 0 H ASN A 70 1.791 6.174 -7.145 1.00 0.59 H new ATOM 0 HA ASN A 70 1.958 5.161 -9.897 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.081 6.287 -8.040 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.328 5.819 -9.711 1.00 0.83 H new ATOM 0 HD21 ASN A 70 2.673 9.444 -8.762 1.00 2.27 H new ATOM 0 HD22 ASN A 70 3.048 8.232 -7.532 1.00 2.27 H new ATOM 924 N VAL A 71 2.061 2.868 -8.668 1.00 0.41 N ATOM 925 CA VAL A 71 2.350 1.513 -8.244 1.00 0.38 C ATOM 926 C VAL A 71 3.355 0.838 -9.169 1.00 0.33 C ATOM 927 O VAL A 71 3.464 1.178 -10.346 1.00 0.38 O ATOM 928 CB VAL A 71 1.057 0.680 -8.188 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.108 1.264 -7.158 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.389 0.609 -9.555 1.00 1.03 C ATOM 0 H VAL A 71 1.151 2.980 -9.115 1.00 0.41 H new ATOM 0 HA VAL A 71 2.788 1.570 -7.248 1.00 0.38 H new ATOM 0 HB VAL A 71 1.316 -0.337 -7.893 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.804 0.668 -7.125 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.584 1.253 -6.177 1.00 1.10 H new ATOM 0 HG13 VAL A 71 -0.138 2.290 -7.431 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.522 0.014 -9.484 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.140 1.616 -9.891 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.070 0.146 -10.269 1.00 1.03 H new ATOM 940 N SER A 72 4.092 -0.119 -8.621 1.00 0.32 N ATOM 941 CA SER A 72 5.084 -0.856 -9.388 1.00 0.37 C ATOM 942 C SER A 72 4.452 -2.102 -10.006 1.00 0.42 C ATOM 943 O SER A 72 5.141 -2.954 -10.568 1.00 0.55 O ATOM 944 CB SER A 72 6.262 -1.248 -8.486 1.00 0.45 C ATOM 945 OG SER A 72 7.378 -1.670 -9.250 1.00 1.41 O ATOM 0 H SER A 72 4.020 -0.403 -7.644 1.00 0.32 H new ATOM 0 HA SER A 72 5.455 -0.219 -10.191 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.545 -0.399 -7.864 1.00 0.45 H new ATOM 0 HB3 SER A 72 5.956 -2.049 -7.812 1.00 0.45 H new ATOM 0 HG SER A 72 7.070 -2.202 -10.013 1.00 1.41 H new ATOM 951 N GLY A 73 3.134 -2.195 -9.889 1.00 0.39 N ATOM 952 CA GLY A 73 2.398 -3.301 -10.468 1.00 0.48 C ATOM 953 C GLY A 73 1.510 -4.001 -9.468 1.00 0.41 C ATOM 954 O GLY A 73 0.421 -4.452 -9.816 1.00 0.48 O ATOM 0 H GLY A 73 2.556 -1.514 -9.397 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.788 -2.933 -11.293 1.00 0.48 H new ATOM 0 HA3 GLY A 73 3.102 -4.020 -10.887 1.00 0.48 H new ATOM 958 N VAL A 74 1.945 -4.074 -8.217 1.00 0.31 N ATOM 959 CA VAL A 74 1.123 -4.671 -7.175 1.00 0.28 C ATOM 960 C VAL A 74 1.231 -3.910 -5.857 1.00 0.22 C ATOM 961 O VAL A 74 0.393 -4.074 -4.973 1.00 0.34 O ATOM 962 CB VAL A 74 1.469 -6.158 -6.928 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.335 -6.967 -8.207 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.862 -6.309 -6.345 1.00 0.38 C ATOM 0 H VAL A 74 2.853 -3.731 -7.902 1.00 0.31 H new ATOM 0 HA VAL A 74 0.098 -4.608 -7.542 1.00 0.28 H new ATOM 0 HB VAL A 74 0.755 -6.546 -6.201 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.584 -8.009 -8.006 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.310 -6.903 -8.573 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.015 -6.571 -8.961 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.076 -7.365 -6.183 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.593 -5.893 -7.038 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.919 -5.777 -5.395 1.00 0.38 H new ATOM 974 N ILE A 75 2.260 -3.081 -5.716 1.00 0.18 N ATOM 975 CA ILE A 75 2.481 -2.377 -4.457 1.00 0.17 C ATOM 976 C ILE A 75 1.622 -1.132 -4.335 1.00 0.16 C ATOM 977 O ILE A 75 0.774 -0.853 -5.178 1.00 0.20 O ATOM 978 CB ILE A 75 3.941 -1.937 -4.289 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.339 -1.015 -5.432 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.852 -3.137 -4.229 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.534 -0.147 -5.121 1.00 0.30 C ATOM 0 H ILE A 75 2.945 -2.882 -6.445 1.00 0.18 H new ATOM 0 HA ILE A 75 2.212 -3.096 -3.683 1.00 0.17 H new ATOM 0 HB ILE A 75 4.039 -1.392 -3.350 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.558 -1.617 -6.314 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.492 -0.376 -5.684 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.883 -2.805 -4.110 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.572 -3.764 -3.382 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.760 -3.710 -5.151 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.760 0.483 -5.981 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.312 0.482 -4.259 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.394 -0.778 -4.898 1.00 0.30 H new ATOM 993 N ALA A 76 1.860 -0.413 -3.253 1.00 0.15 N ATOM 994 CA ALA A 76 1.260 0.881 -2.993 1.00 0.16 C ATOM 995 C ALA A 76 2.236 1.687 -2.132 1.00 0.14 C ATOM 996 O ALA A 76 2.898 1.116 -1.267 1.00 0.15 O ATOM 997 CB ALA A 76 -0.080 0.687 -2.296 1.00 0.18 C ATOM 0 H ALA A 76 2.491 -0.721 -2.513 1.00 0.15 H new ATOM 0 HA ALA A 76 1.071 1.424 -3.919 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.532 1.659 -2.100 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.741 0.102 -2.935 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.073 0.161 -1.354 1.00 0.18 H new ATOM 1003 N ILE A 77 2.360 2.988 -2.370 1.00 0.15 N ATOM 1004 CA ILE A 77 3.366 3.785 -1.665 1.00 0.16 C ATOM 1005 C ILE A 77 2.739 4.901 -0.832 1.00 0.16 C ATOM 1006 O ILE A 77 1.998 5.739 -1.348 1.00 0.21 O ATOM 1007 CB ILE A 77 4.386 4.401 -2.647 1.00 0.19 C ATOM 1008 CG1 ILE A 77 5.073 3.302 -3.462 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.414 5.229 -1.886 1.00 0.24 C ATOM 1010 CD1 ILE A 77 6.006 3.829 -4.532 1.00 0.26 C ATOM 0 H ILE A 77 1.788 3.510 -3.034 1.00 0.15 H new ATOM 0 HA ILE A 77 3.879 3.097 -0.993 1.00 0.16 H new ATOM 0 HB ILE A 77 3.856 5.057 -3.337 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.637 2.659 -2.786 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.311 2.680 -3.931 1.00 0.21 H new ATOM 0 HG21 ILE A 77 6.128 5.658 -2.589 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.909 6.030 -1.347 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.942 4.591 -1.177 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.455 2.992 -5.067 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.444 4.448 -5.232 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.791 4.427 -4.068 1.00 0.26 H new ATOM 1022 N GLY A 78 3.041 4.902 0.461 1.00 0.16 N ATOM 1023 CA GLY A 78 2.512 5.917 1.348 1.00 0.17 C ATOM 1024 C GLY A 78 1.081 5.624 1.736 1.00 0.15 C ATOM 1025 O GLY A 78 0.195 6.462 1.560 1.00 0.17 O ATOM 0 H GLY A 78 3.645 4.214 0.911 1.00 0.16 H new ATOM 0 HA2 GLY A 78 3.129 5.975 2.245 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.566 6.891 0.861 1.00 0.17 H new ATOM 1029 N CYS A 79 0.847 4.422 2.243 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.503 4.006 2.587 1.00 0.13 C ATOM 1031 C CYS A 79 -0.759 4.141 4.078 1.00 0.13 C ATOM 1032 O CYS A 79 0.129 3.913 4.900 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.764 2.565 2.155 1.00 0.15 C ATOM 1034 SG CYS A 79 -0.057 2.088 0.542 1.00 0.65 S ATOM 0 H CYS A 79 1.568 3.724 2.424 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.186 4.665 2.051 1.00 0.13 H new ATOM 0 HB2 CYS A 79 -0.365 1.897 2.919 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.841 2.404 2.122 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.977 4.531 4.413 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.404 4.622 5.797 1.00 0.15 C ATOM 1041 C LEU A 80 -3.405 3.524 6.115 1.00 0.15 C ATOM 1042 O LEU A 80 -4.356 3.313 5.367 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.041 5.976 6.071 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.133 7.179 5.822 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.919 8.475 5.952 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.962 7.162 6.793 1.00 0.26 C ATOM 0 H LEU A 80 -2.694 4.792 3.736 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.525 4.504 6.430 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.930 6.075 5.448 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.375 6.000 7.108 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.742 7.118 4.806 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.257 9.322 5.772 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.728 8.485 5.221 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.336 8.548 6.956 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.322 8.024 6.606 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.337 7.203 7.816 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.387 6.246 6.654 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.202 2.811 7.224 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.095 1.732 7.650 1.00 0.17 C ATOM 1060 C PRO A 81 -5.465 2.257 8.061 1.00 0.21 C ATOM 1061 O PRO A 81 -5.576 3.097 8.958 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.380 1.109 8.854 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.993 1.656 8.826 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.086 2.997 8.157 1.00 0.17 C ATOM 0 HA PRO A 81 -4.282 1.021 6.845 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.884 1.367 9.785 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.373 0.021 8.786 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.591 1.751 9.835 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.324 0.993 8.278 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.285 3.795 8.873 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.163 3.257 7.639 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.502 1.767 7.401 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.851 2.204 7.679 1.00 0.30 C ATOM 1074 C VAL A 82 -8.691 1.069 8.236 1.00 0.39 C ATOM 1075 O VAL A 82 -8.577 -0.084 7.820 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.546 2.789 6.437 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.087 4.218 6.182 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.293 1.930 5.217 1.00 0.20 C ATOM 0 H VAL A 82 -6.429 1.063 6.666 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.767 2.994 8.425 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.619 2.800 6.631 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.592 4.610 5.299 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.331 4.838 7.045 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -7.009 4.230 6.019 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.796 2.367 4.354 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.221 1.878 5.025 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.680 0.926 5.392 1.00 0.20 H new