USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.252) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.039) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 53:sc= 0.167 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 30 ASN : amide:sc= 1.14 K(o=1.1,f=-0.057) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-1.7) USER MOD Single : A 51 HIS : no HE2:sc= -0.618 K(o=-0.62,f=-7.2!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.319 F(o=-3.7!,f=-0.32) USER MOD Single : A 58 CYS SG : rot 71:sc= 1.21 USER MOD Single : A 61 SER OG : rot 88:sc= -0.177 USER MOD Single : A 63 MET CE :methyl -159:sc= -0.162 (180deg=-0.745) USER MOD Single : A 73 THR OG1 : rot 76:sc= 0.664 USER MOD Single : A 79 SER OG : rot 65:sc= 1.19 USER MOD Single : A 81 GLN : amide:sc=-0.00422 K(o=-0.0042,f=-0.73) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 57:sc= 0.691 USER MOD Single : A 86 MET CE :methyl 157:sc= -0.205 (180deg=-0.96) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -9.096 7.933 9.188 1.00 0.00 N ATOM 149 CA ASP A 10 -10.157 8.624 8.450 1.00 0.00 C ATOM 150 C ASP A 10 -11.066 7.614 7.769 1.00 0.00 C ATOM 151 O ASP A 10 -12.289 7.726 7.806 1.00 0.00 O ATOM 152 CB ASP A 10 -9.569 9.565 7.394 1.00 0.00 C ATOM 153 CG ASP A 10 -8.825 10.734 7.998 1.00 0.00 C ATOM 154 OD1 ASP A 10 -7.701 10.531 8.498 1.00 0.00 O ATOM 155 OD2 ASP A 10 -9.358 11.866 7.961 1.00 0.00 O ATOM 0 HA ASP A 10 -10.732 9.212 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.892 9.003 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.373 9.940 6.761 1.00 0.00 H new ATOM 160 N VAL A 11 -10.445 6.625 7.146 1.00 0.00 N ATOM 161 CA VAL A 11 -11.171 5.543 6.510 1.00 0.00 C ATOM 162 C VAL A 11 -10.691 4.206 7.059 1.00 0.00 C ATOM 163 O VAL A 11 -9.551 3.790 6.820 1.00 0.00 O ATOM 164 CB VAL A 11 -11.005 5.566 4.975 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.776 4.423 4.328 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.460 6.905 4.412 1.00 0.00 C ATOM 0 H VAL A 11 -9.431 6.552 7.068 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.229 5.677 6.733 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.948 5.434 4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.643 4.461 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.402 3.472 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.835 4.517 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.337 6.905 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.510 7.065 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.860 7.705 4.846 1.00 0.00 H new ATOM 176 N LYS A 12 -11.558 3.559 7.819 1.00 0.00 N ATOM 177 CA LYS A 12 -11.261 2.267 8.414 1.00 0.00 C ATOM 178 C LYS A 12 -11.407 1.164 7.372 1.00 0.00 C ATOM 179 O LYS A 12 -12.475 0.987 6.786 1.00 0.00 O ATOM 180 CB LYS A 12 -12.199 2.026 9.603 1.00 0.00 C ATOM 181 CG LYS A 12 -12.033 0.675 10.278 1.00 0.00 C ATOM 182 CD LYS A 12 -12.904 0.583 11.522 1.00 0.00 C ATOM 183 CE LYS A 12 -12.916 -0.816 12.117 1.00 0.00 C ATOM 184 NZ LYS A 12 -13.535 -1.808 11.201 1.00 0.00 N ATOM 0 H LYS A 12 -12.488 3.915 8.041 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.232 2.258 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.035 2.809 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.229 2.122 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.300 -0.120 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.988 0.524 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.542 1.290 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.923 0.877 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.895 -1.121 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.463 -0.804 13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.754 -2.677 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.411 -1.414 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.873 -2.028 10.430 1.00 0.00 H new ATOM 198 N TRP A 13 -10.327 0.433 7.135 1.00 0.00 N ATOM 199 CA TRP A 13 -10.326 -0.613 6.125 1.00 0.00 C ATOM 200 C TRP A 13 -10.939 -1.882 6.690 1.00 0.00 C ATOM 201 O TRP A 13 -10.492 -2.387 7.716 1.00 0.00 O ATOM 202 CB TRP A 13 -8.902 -0.893 5.641 1.00 0.00 C ATOM 203 CG TRP A 13 -8.726 -0.672 4.169 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.682 -0.798 3.204 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.520 -0.299 3.496 1.00 0.00 C ATOM 206 NE1 TRP A 13 -9.147 -0.516 1.973 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.820 -0.208 2.124 1.00 0.00 C ATOM 208 CE3 TRP A 13 -6.217 -0.027 3.918 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.863 0.136 1.174 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -5.268 0.317 2.974 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.596 0.399 1.616 1.00 0.00 C ATOM 0 H TRP A 13 -9.441 0.546 7.628 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.921 -0.275 5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.208 -0.252 6.184 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.639 -1.923 5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.709 -1.079 3.383 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.654 -0.533 1.088 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.955 -0.084 4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.112 0.193 0.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.256 0.526 3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.833 0.675 0.903 1.00 0.00 H new ATOM 222 N GLU A 14 -11.967 -2.391 6.024 1.00 0.00 N ATOM 223 CA GLU A 14 -12.641 -3.596 6.494 1.00 0.00 C ATOM 224 C GLU A 14 -11.897 -4.838 6.030 1.00 0.00 C ATOM 225 O GLU A 14 -12.054 -5.924 6.591 1.00 0.00 O ATOM 226 CB GLU A 14 -14.092 -3.637 6.022 1.00 0.00 C ATOM 227 CG GLU A 14 -14.941 -2.513 6.589 1.00 0.00 C ATOM 228 CD GLU A 14 -16.422 -2.765 6.415 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.948 -2.520 5.309 1.00 0.00 O ATOM 230 OE2 GLU A 14 -17.065 -3.218 7.387 1.00 0.00 O ATOM 0 H GLU A 14 -12.350 -1.994 5.166 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.642 -3.576 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.114 -3.586 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.532 -4.593 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.718 -2.392 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.674 -1.577 6.098 1.00 0.00 H new ATOM 237 N LYS A 15 -11.083 -4.670 5.002 1.00 0.00 N ATOM 238 CA LYS A 15 -10.229 -5.742 4.529 1.00 0.00 C ATOM 239 C LYS A 15 -8.822 -5.537 5.059 1.00 0.00 C ATOM 240 O LYS A 15 -8.149 -4.579 4.676 1.00 0.00 O ATOM 241 CB LYS A 15 -10.204 -5.791 2.999 1.00 0.00 C ATOM 242 CG LYS A 15 -11.523 -6.215 2.375 1.00 0.00 C ATOM 243 CD LYS A 15 -11.453 -6.189 0.857 1.00 0.00 C ATOM 244 CE LYS A 15 -10.428 -7.174 0.310 1.00 0.00 C ATOM 245 NZ LYS A 15 -10.809 -8.589 0.566 1.00 0.00 N ATOM 0 H LYS A 15 -10.997 -3.799 4.479 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.628 -6.689 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.933 -4.806 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.424 -6.482 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.780 -7.219 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.318 -5.552 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.435 -6.424 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.200 -5.182 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.316 -7.019 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.457 -6.974 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.156 -9.221 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.759 -8.783 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.779 -8.754 0.230 1.00 0.00 H new ATOM 259 N PRO A 16 -8.371 -6.420 5.962 1.00 0.00 N ATOM 260 CA PRO A 16 -7.028 -6.346 6.541 1.00 0.00 C ATOM 261 C PRO A 16 -5.949 -6.327 5.471 1.00 0.00 C ATOM 262 O PRO A 16 -6.123 -6.883 4.379 1.00 0.00 O ATOM 263 CB PRO A 16 -6.926 -7.620 7.386 1.00 0.00 C ATOM 264 CG PRO A 16 -8.336 -7.982 7.694 1.00 0.00 C ATOM 265 CD PRO A 16 -9.136 -7.560 6.494 1.00 0.00 C ATOM 0 HA PRO A 16 -6.880 -5.432 7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.422 -8.418 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.354 -7.446 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.435 -9.053 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.683 -7.474 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.220 -8.364 5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.151 -7.271 6.768 1.00 0.00 H new ATOM 273 N VAL A 17 -4.848 -5.660 5.770 1.00 0.00 N ATOM 274 CA VAL A 17 -3.748 -5.563 4.833 1.00 0.00 C ATOM 275 C VAL A 17 -2.489 -6.159 5.438 1.00 0.00 C ATOM 276 O VAL A 17 -1.728 -5.456 6.106 1.00 0.00 O ATOM 277 CB VAL A 17 -3.460 -4.102 4.424 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.553 -4.055 3.203 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.752 -3.339 4.172 1.00 0.00 C ATOM 0 H VAL A 17 -4.694 -5.178 6.656 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.040 -6.119 3.942 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.943 -3.615 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.362 -3.017 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.609 -4.549 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.037 -4.565 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.519 -2.313 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.309 -3.822 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.355 -3.334 5.080 1.00 0.00 H new ATOM 289 N THR A 18 -2.296 -7.456 5.247 1.00 0.00 N ATOM 290 CA THR A 18 -1.066 -8.108 5.661 1.00 0.00 C ATOM 291 C THR A 18 0.031 -7.815 4.642 1.00 0.00 C ATOM 292 O THR A 18 0.144 -8.487 3.618 1.00 0.00 O ATOM 293 CB THR A 18 -1.249 -9.633 5.819 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.384 -9.914 6.659 1.00 0.00 O ATOM 295 CG2 THR A 18 -0.006 -10.275 6.421 1.00 0.00 C ATOM 0 H THR A 18 -2.976 -8.076 4.808 1.00 0.00 H new ATOM 0 HA THR A 18 -0.784 -7.711 6.636 1.00 0.00 H new ATOM 0 HB THR A 18 -1.415 -10.053 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.491 -10.884 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.163 -11.349 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.849 -10.092 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.187 -9.844 7.403 1.00 0.00 H new ATOM 303 N ILE A 19 0.813 -6.783 4.914 1.00 0.00 N ATOM 304 CA ILE A 19 1.847 -6.348 3.996 1.00 0.00 C ATOM 305 C ILE A 19 3.217 -6.842 4.457 1.00 0.00 C ATOM 306 O ILE A 19 3.680 -6.516 5.552 1.00 0.00 O ATOM 307 CB ILE A 19 1.849 -4.805 3.835 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.901 -4.362 2.821 1.00 0.00 C ATOM 309 CG2 ILE A 19 2.075 -4.104 5.169 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.926 -2.866 2.603 1.00 0.00 C ATOM 0 H ILE A 19 0.749 -6.230 5.769 1.00 0.00 H new ATOM 0 HA ILE A 19 1.630 -6.783 3.021 1.00 0.00 H new ATOM 0 HB ILE A 19 0.865 -4.517 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.884 -4.690 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.711 -4.858 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.070 -3.024 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.280 -4.377 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.037 -4.408 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.695 -2.618 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.955 -2.536 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.146 -2.365 3.545 1.00 0.00 H new ATOM 322 N SER A 20 3.841 -7.658 3.631 1.00 0.00 N ATOM 323 CA SER A 20 5.151 -8.198 3.936 1.00 0.00 C ATOM 324 C SER A 20 6.241 -7.394 3.241 1.00 0.00 C ATOM 325 O SER A 20 6.225 -7.231 2.022 1.00 0.00 O ATOM 326 CB SER A 20 5.217 -9.665 3.511 1.00 0.00 C ATOM 327 OG SER A 20 4.676 -9.839 2.210 1.00 0.00 O ATOM 0 H SER A 20 3.458 -7.964 2.736 1.00 0.00 H new ATOM 0 HA SER A 20 5.316 -8.131 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.252 -10.007 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.667 -10.280 4.223 1.00 0.00 H new ATOM 0 HG SER A 20 5.106 -9.213 1.591 1.00 0.00 H new ATOM 333 N LEU A 21 7.171 -6.873 4.023 1.00 0.00 N ATOM 334 CA LEU A 21 8.298 -6.140 3.471 1.00 0.00 C ATOM 335 C LEU A 21 9.493 -7.061 3.284 1.00 0.00 C ATOM 336 O LEU A 21 9.641 -8.050 4.003 1.00 0.00 O ATOM 337 CB LEU A 21 8.696 -4.966 4.372 1.00 0.00 C ATOM 338 CG LEU A 21 7.779 -3.739 4.321 1.00 0.00 C ATOM 339 CD1 LEU A 21 6.451 -4.012 5.012 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.476 -2.542 4.947 1.00 0.00 C ATOM 0 H LEU A 21 7.168 -6.944 5.041 1.00 0.00 H new ATOM 0 HA LEU A 21 7.988 -5.746 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.737 -5.322 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.705 -4.653 4.102 1.00 0.00 H new ATOM 0 HG LEU A 21 7.565 -3.515 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.823 -3.122 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.947 -4.842 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.630 -4.267 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.817 -1.675 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.719 -2.765 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.393 -2.327 4.398 1.00 0.00 H new ATOM 352 N GLN A 22 10.357 -6.711 2.336 1.00 0.00 N ATOM 353 CA GLN A 22 11.580 -7.469 2.072 1.00 0.00 C ATOM 354 C GLN A 22 12.472 -7.493 3.314 1.00 0.00 C ATOM 355 O GLN A 22 13.338 -8.355 3.461 1.00 0.00 O ATOM 356 CB GLN A 22 12.326 -6.850 0.886 1.00 0.00 C ATOM 357 CG GLN A 22 13.593 -7.591 0.490 1.00 0.00 C ATOM 358 CD GLN A 22 14.271 -6.977 -0.718 1.00 0.00 C ATOM 359 OE1 GLN A 22 15.110 -6.084 -0.591 1.00 0.00 O ATOM 360 NE2 GLN A 22 13.918 -7.452 -1.900 1.00 0.00 N ATOM 0 H GLN A 22 10.232 -5.899 1.731 1.00 0.00 H new ATOM 0 HA GLN A 22 11.314 -8.497 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.655 -6.816 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.583 -5.819 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.287 -7.592 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.350 -8.632 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.219 -8.192 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.344 -7.078 -2.748 1.00 0.00 H new ATOM 369 N ASN A 23 12.229 -6.547 4.211 1.00 0.00 N ATOM 370 CA ASN A 23 12.982 -6.441 5.456 1.00 0.00 C ATOM 371 C ASN A 23 12.648 -7.590 6.404 1.00 0.00 C ATOM 372 O ASN A 23 13.403 -7.878 7.333 1.00 0.00 O ATOM 373 CB ASN A 23 12.680 -5.108 6.148 1.00 0.00 C ATOM 374 CG ASN A 23 13.025 -3.905 5.289 1.00 0.00 C ATOM 375 OD1 ASN A 23 13.918 -3.962 4.445 1.00 0.00 O ATOM 376 ND2 ASN A 23 12.320 -2.806 5.501 1.00 0.00 N ATOM 0 H ASN A 23 11.508 -5.834 4.098 1.00 0.00 H new ATOM 0 HA ASN A 23 14.042 -6.492 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.622 -5.071 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.240 -5.054 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.509 -1.966 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.587 -2.799 6.211 1.00 0.00 H new ATOM 383 N GLY A 24 11.519 -8.248 6.161 1.00 0.00 N ATOM 384 CA GLY A 24 11.088 -9.330 7.025 1.00 0.00 C ATOM 385 C GLY A 24 10.140 -8.849 8.103 1.00 0.00 C ATOM 386 O GLY A 24 10.466 -8.892 9.289 1.00 0.00 O ATOM 0 H GLY A 24 10.894 -8.050 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.598 -10.099 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.959 -9.794 7.488 1.00 0.00 H new ATOM 390 N ALA A 25 8.966 -8.392 7.688 1.00 0.00 N ATOM 391 CA ALA A 25 7.985 -7.841 8.615 1.00 0.00 C ATOM 392 C ALA A 25 6.616 -7.721 7.954 1.00 0.00 C ATOM 393 O ALA A 25 6.416 -6.877 7.078 1.00 0.00 O ATOM 394 CB ALA A 25 8.439 -6.480 9.126 1.00 0.00 C ATOM 0 H ALA A 25 8.669 -8.392 6.712 1.00 0.00 H new ATOM 0 HA ALA A 25 7.901 -8.525 9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.695 -6.084 9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.393 -6.585 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.554 -5.796 8.285 1.00 0.00 H new ATOM 400 N PRO A 26 5.670 -8.592 8.336 1.00 0.00 N ATOM 401 CA PRO A 26 4.290 -8.531 7.878 1.00 0.00 C ATOM 402 C PRO A 26 3.418 -7.670 8.792 1.00 0.00 C ATOM 403 O PRO A 26 3.077 -8.074 9.907 1.00 0.00 O ATOM 404 CB PRO A 26 3.834 -9.999 7.929 1.00 0.00 C ATOM 405 CG PRO A 26 4.921 -10.758 8.639 1.00 0.00 C ATOM 406 CD PRO A 26 5.867 -9.740 9.219 1.00 0.00 C ATOM 0 HA PRO A 26 4.205 -8.078 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.886 -10.093 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.678 -10.392 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.502 -11.386 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.444 -11.419 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.624 -9.503 10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.899 -10.090 9.206 1.00 0.00 H new ATOM 414 N ARG A 27 3.075 -6.478 8.326 1.00 0.00 N ATOM 415 CA ARG A 27 2.209 -5.582 9.084 1.00 0.00 C ATOM 416 C ARG A 27 0.757 -5.770 8.682 1.00 0.00 C ATOM 417 O ARG A 27 0.471 -6.303 7.615 1.00 0.00 O ATOM 418 CB ARG A 27 2.598 -4.117 8.874 1.00 0.00 C ATOM 419 CG ARG A 27 3.787 -3.669 9.699 1.00 0.00 C ATOM 420 CD ARG A 27 3.944 -2.156 9.657 1.00 0.00 C ATOM 421 NE ARG A 27 2.723 -1.461 10.086 1.00 0.00 N ATOM 422 CZ ARG A 27 2.639 -0.701 11.183 1.00 0.00 C ATOM 423 NH1 ARG A 27 3.675 -0.608 12.010 1.00 0.00 N ATOM 424 NH2 ARG A 27 1.513 -0.052 11.475 1.00 0.00 N ATOM 0 H ARG A 27 3.382 -6.107 7.427 1.00 0.00 H new ATOM 0 HA ARG A 27 2.333 -5.833 10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.821 -3.959 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.743 -3.487 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.661 -3.996 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.694 -4.142 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.773 -1.860 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.200 -1.847 8.644 1.00 0.00 H new ATOM 0 HE ARG A 27 1.887 -1.565 9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.536 -1.117 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.609 -0.028 12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.704 -0.132 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.460 0.525 12.314 1.00 0.00 H new ATOM 438 N ILE A 28 -0.147 -5.331 9.543 1.00 0.00 N ATOM 439 CA ILE A 28 -1.570 -5.356 9.246 1.00 0.00 C ATOM 440 C ILE A 28 -2.159 -3.967 9.443 1.00 0.00 C ATOM 441 O ILE A 28 -2.315 -3.510 10.575 1.00 0.00 O ATOM 442 CB ILE A 28 -2.336 -6.357 10.142 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.722 -7.756 10.041 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.808 -6.393 9.750 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.372 -8.769 10.958 1.00 0.00 C ATOM 0 H ILE A 28 0.083 -4.950 10.461 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.679 -5.677 8.210 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.256 -6.024 11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.802 -8.106 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.659 -7.695 10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.337 -7.101 10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.241 -5.400 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.900 -6.703 8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.887 -9.737 10.833 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.269 -8.442 11.993 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.430 -8.859 10.710 1.00 0.00 H new ATOM 457 N PHE A 29 -2.459 -3.289 8.342 1.00 0.00 N ATOM 458 CA PHE A 29 -3.017 -1.944 8.406 1.00 0.00 C ATOM 459 C PHE A 29 -4.471 -1.985 8.859 1.00 0.00 C ATOM 460 O PHE A 29 -5.253 -2.819 8.399 1.00 0.00 O ATOM 461 CB PHE A 29 -2.917 -1.239 7.050 1.00 0.00 C ATOM 462 CG PHE A 29 -1.508 -1.038 6.570 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.555 -0.458 7.392 1.00 0.00 C ATOM 464 CD2 PHE A 29 -1.141 -1.420 5.292 1.00 0.00 C ATOM 465 CE1 PHE A 29 0.738 -0.264 6.946 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.150 -1.231 4.841 1.00 0.00 C ATOM 467 CZ PHE A 29 1.091 -0.651 5.669 1.00 0.00 C ATOM 0 H PHE A 29 -2.326 -3.647 7.396 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.434 -1.380 9.134 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.463 -1.821 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.409 -0.269 7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.826 -0.154 8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.873 -1.872 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.472 0.190 7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.424 -1.536 3.842 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.101 -0.501 5.318 1.00 0.00 H new ATOM 477 N ASN A 30 -4.820 -1.084 9.766 1.00 0.00 N ATOM 478 CA ASN A 30 -6.177 -1.001 10.293 1.00 0.00 C ATOM 479 C ASN A 30 -7.009 -0.044 9.453 1.00 0.00 C ATOM 480 O ASN A 30 -8.240 -0.028 9.533 1.00 0.00 O ATOM 481 CB ASN A 30 -6.160 -0.515 11.746 1.00 0.00 C ATOM 482 CG ASN A 30 -5.333 -1.403 12.657 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.849 -2.341 13.267 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.043 -1.114 12.757 1.00 0.00 N ATOM 0 H ASN A 30 -4.177 -0.394 10.156 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.619 -1.997 10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.764 0.500 11.779 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.183 -0.471 12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.439 -1.677 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.654 -0.329 12.235 1.00 0.00 H new ATOM 491 N GLY A 31 -6.328 0.762 8.653 1.00 0.00 N ATOM 492 CA GLY A 31 -7.009 1.733 7.834 1.00 0.00 C ATOM 493 C GLY A 31 -6.130 2.265 6.731 1.00 0.00 C ATOM 494 O GLY A 31 -4.927 1.996 6.697 1.00 0.00 O ATOM 0 H GLY A 31 -5.312 0.758 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.899 1.279 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.346 2.560 8.459 1.00 0.00 H new ATOM 498 N VAL A 32 -6.730 3.035 5.836 1.00 0.00 N ATOM 499 CA VAL A 32 -6.019 3.587 4.689 1.00 0.00 C ATOM 500 C VAL A 32 -4.980 4.612 5.137 1.00 0.00 C ATOM 501 O VAL A 32 -3.958 4.809 4.477 1.00 0.00 O ATOM 502 CB VAL A 32 -6.994 4.259 3.702 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.269 4.693 2.441 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.144 3.327 3.356 1.00 0.00 C ATOM 0 H VAL A 32 -7.715 3.294 5.882 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.519 2.758 4.189 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.404 5.145 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.976 5.165 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.484 5.404 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.825 3.822 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.818 3.824 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.751 2.420 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.688 3.068 4.264 1.00 0.00 H new ATOM 514 N TYR A 33 -5.243 5.246 6.272 1.00 0.00 N ATOM 515 CA TYR A 33 -4.375 6.296 6.790 1.00 0.00 C ATOM 516 C TYR A 33 -2.965 5.761 7.035 1.00 0.00 C ATOM 517 O TYR A 33 -1.979 6.403 6.668 1.00 0.00 O ATOM 518 CB TYR A 33 -4.972 6.866 8.077 1.00 0.00 C ATOM 519 CG TYR A 33 -4.234 8.062 8.631 1.00 0.00 C ATOM 520 CD1 TYR A 33 -4.437 9.329 8.104 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.348 7.925 9.691 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.778 10.430 8.618 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.683 9.016 10.209 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.902 10.268 9.671 1.00 0.00 C ATOM 525 OH TYR A 33 -2.249 11.364 10.194 1.00 0.00 O ATOM 0 H TYR A 33 -6.056 5.050 6.855 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.303 7.094 6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.008 7.149 7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.988 6.082 8.834 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.121 9.457 7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.177 6.947 10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.948 11.410 8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.994 8.892 11.032 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.669 11.079 10.931 1.00 0.00 H new ATOM 535 N GLU A 34 -2.880 4.577 7.640 1.00 0.00 N ATOM 536 CA GLU A 34 -1.592 3.927 7.870 1.00 0.00 C ATOM 537 C GLU A 34 -0.869 3.683 6.551 1.00 0.00 C ATOM 538 O GLU A 34 0.302 4.023 6.401 1.00 0.00 O ATOM 539 CB GLU A 34 -1.771 2.584 8.580 1.00 0.00 C ATOM 540 CG GLU A 34 -2.181 2.684 10.037 1.00 0.00 C ATOM 541 CD GLU A 34 -2.226 1.321 10.701 1.00 0.00 C ATOM 542 OE1 GLU A 34 -1.146 0.736 10.941 1.00 0.00 O ATOM 543 OE2 GLU A 34 -3.340 0.823 10.971 1.00 0.00 O ATOM 0 H GLU A 34 -3.685 4.050 7.978 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.002 4.594 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.522 2.003 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.835 2.029 8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.479 3.325 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.161 3.156 10.108 1.00 0.00 H new ATOM 550 N ALA A 35 -1.592 3.102 5.598 1.00 0.00 N ATOM 551 CA ALA A 35 -1.022 2.712 4.314 1.00 0.00 C ATOM 552 C ALA A 35 -0.451 3.910 3.562 1.00 0.00 C ATOM 553 O ALA A 35 0.674 3.857 3.062 1.00 0.00 O ATOM 554 CB ALA A 35 -2.072 2.002 3.469 1.00 0.00 C ATOM 0 H ALA A 35 -2.585 2.889 5.694 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.197 2.026 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.636 1.715 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.418 1.110 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.915 2.672 3.297 1.00 0.00 H new ATOM 560 N PHE A 36 -1.222 4.991 3.500 1.00 0.00 N ATOM 561 CA PHE A 36 -0.812 6.190 2.776 1.00 0.00 C ATOM 562 C PHE A 36 0.488 6.753 3.340 1.00 0.00 C ATOM 563 O PHE A 36 1.408 7.091 2.592 1.00 0.00 O ATOM 564 CB PHE A 36 -1.918 7.250 2.839 1.00 0.00 C ATOM 565 CG PHE A 36 -1.593 8.511 2.089 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.474 8.503 0.709 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.415 9.708 2.765 1.00 0.00 C ATOM 568 CE1 PHE A 36 -1.184 9.663 0.017 1.00 0.00 C ATOM 569 CE2 PHE A 36 -1.124 10.872 2.079 1.00 0.00 C ATOM 570 CZ PHE A 36 -1.010 10.849 0.702 1.00 0.00 C ATOM 0 H PHE A 36 -2.138 5.062 3.944 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.640 5.916 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.838 6.826 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.111 7.499 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.610 7.579 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.505 9.731 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.093 9.642 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.986 11.798 2.618 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.785 11.757 0.163 1.00 0.00 H new ATOM 580 N ASP A 37 0.564 6.832 4.662 1.00 0.00 N ATOM 581 CA ASP A 37 1.754 7.347 5.329 1.00 0.00 C ATOM 582 C ASP A 37 2.920 6.374 5.185 1.00 0.00 C ATOM 583 O ASP A 37 4.047 6.776 4.892 1.00 0.00 O ATOM 584 CB ASP A 37 1.465 7.607 6.811 1.00 0.00 C ATOM 585 CG ASP A 37 2.696 8.064 7.570 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.170 9.194 7.326 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.195 7.296 8.419 1.00 0.00 O ATOM 0 H ASP A 37 -0.184 6.546 5.294 1.00 0.00 H new ATOM 0 HA ASP A 37 2.029 8.288 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.686 8.364 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.077 6.696 7.268 1.00 0.00 H new ATOM 592 N PHE A 38 2.634 5.090 5.364 1.00 0.00 N ATOM 593 CA PHE A 38 3.656 4.049 5.306 1.00 0.00 C ATOM 594 C PHE A 38 4.368 4.047 3.955 1.00 0.00 C ATOM 595 O PHE A 38 5.596 3.934 3.893 1.00 0.00 O ATOM 596 CB PHE A 38 3.024 2.681 5.569 1.00 0.00 C ATOM 597 CG PHE A 38 4.020 1.567 5.720 1.00 0.00 C ATOM 598 CD1 PHE A 38 4.723 1.411 6.904 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.245 0.672 4.688 1.00 0.00 C ATOM 600 CE1 PHE A 38 5.632 0.384 7.055 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.153 -0.356 4.832 1.00 0.00 C ATOM 602 CZ PHE A 38 5.847 -0.501 6.017 1.00 0.00 C ATOM 0 H PHE A 38 1.694 4.741 5.552 1.00 0.00 H new ATOM 0 HA PHE A 38 4.397 4.258 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.420 2.739 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.347 2.441 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.557 2.101 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.703 0.780 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.174 0.273 7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.321 -1.047 4.019 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.558 -1.306 6.132 1.00 0.00 H new ATOM 612 N LEU A 39 3.596 4.191 2.881 1.00 0.00 N ATOM 613 CA LEU A 39 4.151 4.206 1.531 1.00 0.00 C ATOM 614 C LEU A 39 5.126 5.364 1.346 1.00 0.00 C ATOM 615 O LEU A 39 6.115 5.245 0.623 1.00 0.00 O ATOM 616 CB LEU A 39 3.034 4.322 0.494 1.00 0.00 C ATOM 617 CG LEU A 39 2.046 3.156 0.445 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.908 3.477 -0.509 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.748 1.873 0.026 1.00 0.00 C ATOM 0 H LEU A 39 2.582 4.299 2.920 1.00 0.00 H new ATOM 0 HA LEU A 39 4.687 3.268 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.476 5.238 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.488 4.430 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 39 1.635 3.006 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.210 2.640 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.388 4.372 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.308 3.649 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.027 1.056 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.186 2.005 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.535 1.638 0.743 1.00 0.00 H new ATOM 631 N GLN A 40 4.839 6.485 1.997 1.00 0.00 N ATOM 632 CA GLN A 40 5.685 7.666 1.884 1.00 0.00 C ATOM 633 C GLN A 40 6.948 7.511 2.719 1.00 0.00 C ATOM 634 O GLN A 40 7.987 8.087 2.401 1.00 0.00 O ATOM 635 CB GLN A 40 4.931 8.920 2.325 1.00 0.00 C ATOM 636 CG GLN A 40 3.673 9.196 1.520 1.00 0.00 C ATOM 637 CD GLN A 40 3.028 10.515 1.894 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.147 10.981 3.028 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.345 11.131 0.943 1.00 0.00 N ATOM 0 H GLN A 40 4.029 6.601 2.607 1.00 0.00 H new ATOM 0 HA GLN A 40 5.965 7.771 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.663 8.820 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.597 9.779 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.918 9.202 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.959 8.388 1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.270 10.712 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.894 12.025 1.137 1.00 0.00 H new ATOM 648 N HIS A 41 6.849 6.731 3.788 1.00 0.00 N ATOM 649 CA HIS A 41 7.986 6.502 4.672 1.00 0.00 C ATOM 650 C HIS A 41 9.053 5.673 3.976 1.00 0.00 C ATOM 651 O HIS A 41 10.121 6.183 3.645 1.00 0.00 O ATOM 652 CB HIS A 41 7.546 5.816 5.966 1.00 0.00 C ATOM 653 CG HIS A 41 6.929 6.748 6.961 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.099 6.613 8.318 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.128 7.822 6.791 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.430 7.567 8.938 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.830 8.317 8.035 1.00 0.00 N ATOM 0 H HIS A 41 5.995 6.247 4.064 1.00 0.00 H new ATOM 0 HA HIS A 41 8.410 7.474 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.830 5.030 5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.410 5.332 6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.785 8.219 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.382 7.710 10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.243 9.128 8.229 1.00 0.00 H new ATOM 666 N GLU A 42 8.763 4.400 3.748 1.00 0.00 N ATOM 667 CA GLU A 42 9.708 3.525 3.073 1.00 0.00 C ATOM 668 C GLU A 42 9.022 2.275 2.538 1.00 0.00 C ATOM 669 O GLU A 42 9.035 1.211 3.157 1.00 0.00 O ATOM 670 CB GLU A 42 10.894 3.171 3.985 1.00 0.00 C ATOM 671 CG GLU A 42 10.507 2.711 5.382 1.00 0.00 C ATOM 672 CD GLU A 42 11.706 2.628 6.304 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.383 1.581 6.318 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.987 3.624 7.006 1.00 0.00 O ATOM 0 H GLU A 42 7.887 3.953 4.019 1.00 0.00 H new ATOM 0 HA GLU A 42 10.107 4.070 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.480 2.385 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.542 4.044 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.774 3.401 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.027 1.734 5.322 1.00 0.00 H new ATOM 681 N TRP A 43 8.382 2.437 1.394 1.00 0.00 N ATOM 682 CA TRP A 43 7.801 1.321 0.672 1.00 0.00 C ATOM 683 C TRP A 43 8.820 0.788 -0.337 1.00 0.00 C ATOM 684 O TRP A 43 9.225 1.510 -1.249 1.00 0.00 O ATOM 685 CB TRP A 43 6.503 1.767 -0.011 1.00 0.00 C ATOM 686 CG TRP A 43 5.956 0.791 -1.011 1.00 0.00 C ATOM 687 CD1 TRP A 43 5.752 1.027 -2.337 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.542 -0.560 -0.775 1.00 0.00 C ATOM 689 NE1 TRP A 43 5.245 -0.090 -2.945 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.108 -1.077 -2.012 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.496 -1.387 0.351 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.640 -2.375 -2.151 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.032 -2.677 0.206 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.611 -3.160 -1.035 1.00 0.00 C ATOM 0 H TRP A 43 8.251 3.342 0.941 1.00 0.00 H new ATOM 0 HA TRP A 43 7.552 0.514 1.361 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.748 1.945 0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.680 2.719 -0.511 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.960 1.961 -2.837 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.008 -0.171 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.818 -1.023 1.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.310 -2.751 -3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.993 -3.326 1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.255 -4.177 -1.113 1.00 0.00 H new ATOM 705 N PRO A 44 9.259 -0.477 -0.148 1.00 0.00 N ATOM 706 CA PRO A 44 10.306 -1.124 -0.957 1.00 0.00 C ATOM 707 C PRO A 44 10.239 -0.818 -2.454 1.00 0.00 C ATOM 708 O PRO A 44 11.262 -0.529 -3.074 1.00 0.00 O ATOM 709 CB PRO A 44 10.049 -2.607 -0.708 1.00 0.00 C ATOM 710 CG PRO A 44 9.531 -2.664 0.687 1.00 0.00 C ATOM 711 CD PRO A 44 8.767 -1.382 0.910 1.00 0.00 C ATOM 0 HA PRO A 44 11.296 -0.767 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.326 -3.009 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.962 -3.192 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.885 -3.531 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.349 -2.758 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.692 -1.540 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.956 -0.974 1.903 1.00 0.00 H new ATOM 719 N ALA A 45 9.049 -0.893 -3.034 1.00 0.00 N ATOM 720 CA ALA A 45 8.882 -0.598 -4.450 1.00 0.00 C ATOM 721 C ALA A 45 8.827 0.909 -4.674 1.00 0.00 C ATOM 722 O ALA A 45 7.814 1.552 -4.403 1.00 0.00 O ATOM 723 CB ALA A 45 7.630 -1.273 -4.993 1.00 0.00 C ATOM 0 H ALA A 45 8.190 -1.154 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 45 9.741 -0.994 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.522 -1.041 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.714 -2.352 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.757 -0.910 -4.451 1.00 0.00 H new ATOM 729 N ARG A 46 9.923 1.467 -5.155 1.00 0.00 N ATOM 730 CA ARG A 46 10.041 2.909 -5.323 1.00 0.00 C ATOM 731 C ARG A 46 10.344 3.260 -6.771 1.00 0.00 C ATOM 732 O ARG A 46 10.881 2.440 -7.518 1.00 0.00 O ATOM 733 CB ARG A 46 11.163 3.452 -4.436 1.00 0.00 C ATOM 734 CG ARG A 46 12.511 2.816 -4.732 1.00 0.00 C ATOM 735 CD ARG A 46 13.661 3.571 -4.092 1.00 0.00 C ATOM 736 NE ARG A 46 14.940 2.919 -4.369 1.00 0.00 N ATOM 737 CZ ARG A 46 15.815 3.336 -5.287 1.00 0.00 C ATOM 738 NH1 ARG A 46 15.558 4.419 -6.014 1.00 0.00 N ATOM 739 NH2 ARG A 46 16.944 2.667 -5.481 1.00 0.00 N ATOM 0 H ARG A 46 10.750 0.942 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 46 9.091 3.360 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.238 4.531 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.908 3.281 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.511 1.787 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.662 2.776 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.682 4.594 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.506 3.631 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 46 15.180 2.090 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.690 4.935 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.229 4.734 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.144 1.833 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.612 2.986 -6.183 1.00 0.00 H new ATOM 753 N GLY A 47 9.964 4.458 -7.181 1.00 0.00 N ATOM 754 CA GLY A 47 10.422 4.960 -8.453 1.00 0.00 C ATOM 755 C GLY A 47 9.307 5.381 -9.378 1.00 0.00 C ATOM 756 O GLY A 47 9.162 6.565 -9.697 1.00 0.00 O ATOM 0 H GLY A 47 9.352 5.086 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.080 5.812 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.018 4.190 -8.944 1.00 0.00 H new ATOM 760 N ASP A 48 8.502 4.414 -9.791 1.00 0.00 N ATOM 761 CA ASP A 48 7.606 4.611 -10.914 1.00 0.00 C ATOM 762 C ASP A 48 6.159 4.824 -10.464 1.00 0.00 C ATOM 763 O ASP A 48 5.876 5.049 -9.282 1.00 0.00 O ATOM 764 CB ASP A 48 7.708 3.408 -11.863 1.00 0.00 C ATOM 765 CG ASP A 48 7.263 3.737 -13.277 1.00 0.00 C ATOM 766 OD1 ASP A 48 8.075 4.296 -14.041 1.00 0.00 O ATOM 767 OD2 ASP A 48 6.101 3.442 -13.623 1.00 0.00 O ATOM 0 H ASP A 48 8.453 3.488 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 48 7.910 5.518 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.739 3.054 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.098 2.592 -11.475 1.00 0.00 H new ATOM 772 N ARG A 49 5.251 4.724 -11.424 1.00 0.00 N ATOM 773 CA ARG A 49 3.844 5.028 -11.229 1.00 0.00 C ATOM 774 C ARG A 49 3.171 4.022 -10.308 1.00 0.00 C ATOM 775 O ARG A 49 2.083 4.271 -9.812 1.00 0.00 O ATOM 776 CB ARG A 49 3.143 5.045 -12.583 1.00 0.00 C ATOM 777 CG ARG A 49 3.702 6.089 -13.535 1.00 0.00 C ATOM 778 CD ARG A 49 3.474 5.697 -14.983 1.00 0.00 C ATOM 779 NE ARG A 49 4.209 4.481 -15.338 1.00 0.00 N ATOM 780 CZ ARG A 49 4.368 4.046 -16.585 1.00 0.00 C ATOM 781 NH1 ARG A 49 3.900 4.752 -17.603 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.020 2.910 -16.815 1.00 0.00 N ATOM 0 H ARG A 49 5.476 4.425 -12.373 1.00 0.00 H new ATOM 0 HA ARG A 49 3.768 6.006 -10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.231 4.060 -13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.080 5.233 -12.432 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.231 7.052 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.770 6.214 -13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.409 5.541 -15.154 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.786 6.514 -15.634 1.00 0.00 H new ATOM 0 HE ARG A 49 4.624 3.935 -14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.415 5.633 -17.433 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.024 4.415 -18.558 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.398 2.372 -16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.142 2.577 -17.771 1.00 0.00 H new ATOM 796 N ALA A 50 3.819 2.888 -10.081 1.00 0.00 N ATOM 797 CA ALA A 50 3.283 1.886 -9.169 1.00 0.00 C ATOM 798 C ALA A 50 3.258 2.430 -7.746 1.00 0.00 C ATOM 799 O ALA A 50 2.267 2.289 -7.031 1.00 0.00 O ATOM 800 CB ALA A 50 4.103 0.611 -9.238 1.00 0.00 C ATOM 0 H ALA A 50 4.710 2.639 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 50 2.262 1.652 -9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.688 -0.126 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.076 0.216 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.135 0.826 -8.960 1.00 0.00 H new ATOM 806 N HIS A 51 4.350 3.076 -7.354 1.00 0.00 N ATOM 807 CA HIS A 51 4.441 3.696 -6.039 1.00 0.00 C ATOM 808 C HIS A 51 3.523 4.912 -5.983 1.00 0.00 C ATOM 809 O HIS A 51 2.842 5.148 -4.986 1.00 0.00 O ATOM 810 CB HIS A 51 5.891 4.107 -5.751 1.00 0.00 C ATOM 811 CG HIS A 51 6.149 4.563 -4.342 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.950 3.865 -3.468 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.739 5.665 -3.668 1.00 0.00 C ATOM 814 CE1 HIS A 51 7.025 4.513 -2.322 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.299 5.611 -2.415 1.00 0.00 N ATOM 0 H HIS A 51 5.185 3.184 -7.929 1.00 0.00 H new ATOM 0 HA HIS A 51 4.127 2.980 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.544 3.262 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.169 4.909 -6.434 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.415 2.981 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.091 6.442 -4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.586 4.198 -1.454 1.00 0.00 H new ATOM 824 N GLU A 52 3.511 5.667 -7.075 1.00 0.00 N ATOM 825 CA GLU A 52 2.690 6.867 -7.181 1.00 0.00 C ATOM 826 C GLU A 52 1.202 6.532 -7.113 1.00 0.00 C ATOM 827 O GLU A 52 0.446 7.156 -6.365 1.00 0.00 O ATOM 828 CB GLU A 52 3.005 7.587 -8.491 1.00 0.00 C ATOM 829 CG GLU A 52 2.229 8.874 -8.690 1.00 0.00 C ATOM 830 CD GLU A 52 2.640 9.597 -9.951 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.698 10.264 -9.934 1.00 0.00 O ATOM 832 OE2 GLU A 52 1.918 9.496 -10.964 1.00 0.00 O ATOM 0 H GLU A 52 4.066 5.467 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 52 2.924 7.517 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.072 7.809 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.794 6.915 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.163 8.651 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.385 9.527 -7.831 1.00 0.00 H new ATOM 839 N GLN A 53 0.789 5.540 -7.891 1.00 0.00 N ATOM 840 CA GLN A 53 -0.608 5.135 -7.947 1.00 0.00 C ATOM 841 C GLN A 53 -1.059 4.597 -6.597 1.00 0.00 C ATOM 842 O GLN A 53 -2.199 4.818 -6.188 1.00 0.00 O ATOM 843 CB GLN A 53 -0.818 4.083 -9.042 1.00 0.00 C ATOM 844 CG GLN A 53 -2.273 3.712 -9.291 1.00 0.00 C ATOM 845 CD GLN A 53 -3.142 4.915 -9.600 1.00 0.00 C ATOM 846 OE1 GLN A 53 -3.773 5.463 -8.576 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 -3.256 5.338 -10.748 1.00 0.00 N flip ATOM 0 H GLN A 53 1.407 4.998 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.212 6.009 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.387 4.454 -9.972 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.268 3.182 -8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.327 3.008 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.668 3.200 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.751 4.886 -11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.855 6.141 -10.938 1.00 0.00 H new ATOM 856 N ALA A 54 -0.162 3.900 -5.905 1.00 0.00 N ATOM 857 CA ALA A 54 -0.450 3.410 -4.563 1.00 0.00 C ATOM 858 C ALA A 54 -0.776 4.573 -3.633 1.00 0.00 C ATOM 859 O ALA A 54 -1.723 4.509 -2.848 1.00 0.00 O ATOM 860 CB ALA A 54 0.724 2.605 -4.025 1.00 0.00 C ATOM 0 H ALA A 54 0.768 3.663 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.319 2.754 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.491 2.247 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.912 1.754 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.612 3.237 -3.988 1.00 0.00 H new ATOM 866 N LEU A 55 0.005 5.645 -3.743 1.00 0.00 N ATOM 867 CA LEU A 55 -0.236 6.857 -2.968 1.00 0.00 C ATOM 868 C LEU A 55 -1.562 7.491 -3.363 1.00 0.00 C ATOM 869 O LEU A 55 -2.379 7.829 -2.509 1.00 0.00 O ATOM 870 CB LEU A 55 0.896 7.869 -3.176 1.00 0.00 C ATOM 871 CG LEU A 55 2.257 7.453 -2.620 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.308 8.498 -2.955 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.175 7.249 -1.117 1.00 0.00 C ATOM 0 H LEU A 55 0.813 5.698 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.273 6.577 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.001 8.057 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.607 8.813 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 55 2.546 6.509 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.272 8.187 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.384 8.604 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.023 9.454 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.152 6.953 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.866 8.179 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.447 6.468 -0.895 1.00 0.00 H new ATOM 885 N ARG A 56 -1.767 7.637 -4.667 1.00 0.00 N ATOM 886 CA ARG A 56 -2.978 8.253 -5.198 1.00 0.00 C ATOM 887 C ARG A 56 -4.227 7.500 -4.742 1.00 0.00 C ATOM 888 O ARG A 56 -5.214 8.111 -4.331 1.00 0.00 O ATOM 889 CB ARG A 56 -2.917 8.296 -6.727 1.00 0.00 C ATOM 890 CG ARG A 56 -4.107 8.991 -7.368 1.00 0.00 C ATOM 891 CD ARG A 56 -3.991 9.004 -8.882 1.00 0.00 C ATOM 892 NE ARG A 56 -5.124 9.680 -9.510 1.00 0.00 N ATOM 893 CZ ARG A 56 -5.107 10.170 -10.747 1.00 0.00 C ATOM 894 NH1 ARG A 56 -4.039 10.003 -11.521 1.00 0.00 N ATOM 895 NH2 ARG A 56 -6.175 10.802 -11.215 1.00 0.00 N ATOM 0 H ARG A 56 -1.105 7.335 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.038 9.271 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.003 8.806 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.855 7.277 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.027 8.484 -7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.176 10.014 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.066 9.502 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.930 7.980 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.981 9.783 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.227 9.497 -11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.032 10.381 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.002 10.910 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.169 11.180 -12.162 1.00 0.00 H new ATOM 909 N LEU A 57 -4.174 6.173 -4.801 1.00 0.00 N ATOM 910 CA LEU A 57 -5.298 5.343 -4.381 1.00 0.00 C ATOM 911 C LEU A 57 -5.625 5.580 -2.914 1.00 0.00 C ATOM 912 O LEU A 57 -6.776 5.837 -2.563 1.00 0.00 O ATOM 913 CB LEU A 57 -4.997 3.861 -4.614 1.00 0.00 C ATOM 914 CG LEU A 57 -4.925 3.434 -6.080 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.499 1.980 -6.189 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.268 3.646 -6.764 1.00 0.00 C ATOM 0 H LEU A 57 -3.365 5.649 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.162 5.623 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.048 3.620 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.765 3.268 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.181 4.052 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.453 1.692 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.516 1.854 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.222 1.349 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.198 3.337 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.031 3.053 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.538 4.701 -6.716 1.00 0.00 H new ATOM 928 N CYS A 58 -4.607 5.510 -2.066 1.00 0.00 N ATOM 929 CA CYS A 58 -4.789 5.720 -0.635 1.00 0.00 C ATOM 930 C CYS A 58 -5.278 7.139 -0.354 1.00 0.00 C ATOM 931 O CYS A 58 -6.135 7.355 0.505 1.00 0.00 O ATOM 932 CB CYS A 58 -3.479 5.449 0.105 1.00 0.00 C ATOM 933 SG CYS A 58 -2.813 3.791 -0.173 1.00 0.00 S ATOM 0 H CYS A 58 -3.646 5.309 -2.344 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.547 5.024 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.738 6.185 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.640 5.591 1.174 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.361 3.703 -1.389 1.00 0.00 H new ATOM 939 N ARG A 59 -4.745 8.098 -1.100 1.00 0.00 N ATOM 940 CA ARG A 59 -5.131 9.497 -0.958 1.00 0.00 C ATOM 941 C ARG A 59 -6.610 9.682 -1.289 1.00 0.00 C ATOM 942 O ARG A 59 -7.361 10.289 -0.523 1.00 0.00 O ATOM 943 CB ARG A 59 -4.272 10.368 -1.876 1.00 0.00 C ATOM 944 CG ARG A 59 -4.566 11.851 -1.766 1.00 0.00 C ATOM 945 CD ARG A 59 -3.672 12.661 -2.690 1.00 0.00 C ATOM 946 NE ARG A 59 -3.907 14.093 -2.552 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.007 15.031 -2.831 1.00 0.00 C ATOM 948 NH1 ARG A 59 -1.805 14.698 -3.292 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.317 16.307 -2.651 1.00 0.00 N ATOM 0 H ARG A 59 -4.038 7.931 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.970 9.801 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.221 10.198 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.425 10.053 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.611 12.036 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.420 12.178 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.627 12.441 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.850 12.361 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.823 14.395 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.567 13.716 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.121 15.424 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.240 16.563 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.632 17.033 -2.863 1.00 0.00 H new ATOM 963 N ALA A 60 -7.025 9.138 -2.429 1.00 0.00 N ATOM 964 CA ALA A 60 -8.409 9.243 -2.869 1.00 0.00 C ATOM 965 C ALA A 60 -9.338 8.466 -1.942 1.00 0.00 C ATOM 966 O ALA A 60 -10.478 8.864 -1.717 1.00 0.00 O ATOM 967 CB ALA A 60 -8.549 8.752 -4.303 1.00 0.00 C ATOM 0 H ALA A 60 -6.420 8.619 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.699 10.293 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.589 8.837 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.922 9.357 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.236 7.710 -4.363 1.00 0.00 H new ATOM 973 N SER A 61 -8.842 7.361 -1.397 1.00 0.00 N ATOM 974 CA SER A 61 -9.620 6.559 -0.461 1.00 0.00 C ATOM 975 C SER A 61 -9.896 7.341 0.823 1.00 0.00 C ATOM 976 O SER A 61 -10.978 7.239 1.392 1.00 0.00 O ATOM 977 CB SER A 61 -8.891 5.254 -0.142 1.00 0.00 C ATOM 978 OG SER A 61 -8.683 4.487 -1.315 1.00 0.00 O ATOM 0 H SER A 61 -7.907 7.001 -1.587 1.00 0.00 H new ATOM 0 HA SER A 61 -10.575 6.320 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.932 5.475 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.472 4.675 0.577 1.00 0.00 H new ATOM 0 HG SER A 61 -7.841 4.757 -1.737 1.00 0.00 H new ATOM 984 N LEU A 62 -8.925 8.148 1.253 1.00 0.00 N ATOM 985 CA LEU A 62 -9.089 8.985 2.443 1.00 0.00 C ATOM 986 C LEU A 62 -10.121 10.086 2.205 1.00 0.00 C ATOM 987 O LEU A 62 -10.552 10.760 3.141 1.00 0.00 O ATOM 988 CB LEU A 62 -7.750 9.604 2.860 1.00 0.00 C ATOM 989 CG LEU A 62 -6.721 8.619 3.420 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.415 9.334 3.725 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.258 7.940 4.672 1.00 0.00 C ATOM 0 H LEU A 62 -8.018 8.240 0.796 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.448 8.345 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.315 10.106 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.941 10.371 3.611 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.531 7.854 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.694 8.620 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.021 9.777 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.593 10.118 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.513 7.243 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.475 8.693 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.171 7.397 4.428 1.00 0.00 H new ATOM 1003 N MET A 63 -10.503 10.264 0.948 1.00 0.00 N ATOM 1004 CA MET A 63 -11.535 11.226 0.583 1.00 0.00 C ATOM 1005 C MET A 63 -12.829 10.504 0.225 1.00 0.00 C ATOM 1006 O MET A 63 -13.776 11.113 -0.273 1.00 0.00 O ATOM 1007 CB MET A 63 -11.070 12.095 -0.590 1.00 0.00 C ATOM 1008 CG MET A 63 -9.952 13.062 -0.227 1.00 0.00 C ATOM 1009 SD MET A 63 -10.456 14.276 1.011 1.00 0.00 S ATOM 1010 CE MET A 63 -11.800 15.097 0.151 1.00 0.00 C ATOM 0 H MET A 63 -10.111 9.751 0.158 1.00 0.00 H new ATOM 0 HA MET A 63 -11.721 11.873 1.440 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.731 11.448 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.920 12.662 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.098 12.499 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.621 13.582 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.969 16.079 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.542 15.213 -0.902 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.707 14.499 0.238 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.859 9.197 0.478 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.044 8.404 0.207 1.00 0.00 C ATOM 1022 C GLY A 64 -14.316 8.241 -1.277 1.00 0.00 C ATOM 1023 O GLY A 64 -15.444 7.961 -1.681 1.00 0.00 O ATOM 0 H GLY A 64 -12.077 8.671 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.928 7.420 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.906 8.874 0.680 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.282 8.414 -2.089 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.427 8.334 -3.536 1.00 0.00 C ATOM 1029 C ASP A 65 -13.271 6.894 -4.009 1.00 0.00 C ATOM 1030 O ASP A 65 -14.087 6.385 -4.778 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.387 9.221 -4.221 1.00 0.00 C ATOM 1032 CG ASP A 65 -12.683 9.442 -5.688 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -12.447 8.526 -6.501 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.151 10.548 -6.034 1.00 0.00 O ATOM 0 H ASP A 65 -12.333 8.611 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.424 8.684 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.347 10.185 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.402 8.765 -4.118 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.218 6.245 -3.537 1.00 0.00 N ATOM 1040 CA VAL A 66 -11.939 4.864 -3.901 1.00 0.00 C ATOM 1041 C VAL A 66 -12.596 3.910 -2.913 1.00 0.00 C ATOM 1042 O VAL A 66 -12.535 4.123 -1.701 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.417 4.592 -3.948 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.127 3.113 -4.163 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -9.761 5.424 -5.037 1.00 0.00 C ATOM 0 H VAL A 66 -11.538 6.656 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.352 4.696 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.996 4.881 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.049 2.954 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.558 2.535 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.566 2.789 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.690 5.220 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.196 5.167 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.925 6.482 -4.835 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.243 2.876 -3.437 1.00 0.00 N ATOM 1056 CA ALA A 67 -13.838 1.848 -2.600 1.00 0.00 C ATOM 1057 C ALA A 67 -12.750 1.047 -1.891 1.00 0.00 C ATOM 1058 O ALA A 67 -11.656 0.855 -2.433 1.00 0.00 O ATOM 1059 CB ALA A 67 -14.726 0.936 -3.432 1.00 0.00 C ATOM 0 H ALA A 67 -13.368 2.729 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.458 2.328 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.164 0.171 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -15.521 1.523 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.130 0.459 -4.210 1.00 0.00 H new ATOM 1065 N GLY A 68 -13.066 0.571 -0.693 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.083 -0.092 0.147 1.00 0.00 C ATOM 1067 C GLY A 68 -11.414 -1.279 -0.522 1.00 0.00 C ATOM 1068 O GLY A 68 -10.192 -1.425 -0.453 1.00 0.00 O ATOM 0 H GLY A 68 -13.998 0.633 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.319 0.629 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.568 -0.428 1.064 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.202 -2.124 -1.170 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.668 -3.322 -1.806 1.00 0.00 C ATOM 1074 C GLU A 69 -10.793 -2.961 -3.001 1.00 0.00 C ATOM 1075 O GLU A 69 -9.721 -3.537 -3.186 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.802 -4.251 -2.239 1.00 0.00 C ATOM 1077 CG GLU A 69 -13.720 -4.659 -1.097 1.00 0.00 C ATOM 1078 CD GLU A 69 -14.734 -5.704 -1.508 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -15.776 -5.330 -2.080 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.490 -6.903 -1.263 1.00 0.00 O ATOM 0 H GLU A 69 -13.210 -2.004 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.050 -3.844 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.392 -3.756 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.375 -5.147 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.119 -5.046 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.243 -3.778 -0.724 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.243 -1.987 -3.788 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.511 -1.551 -4.975 1.00 0.00 C ATOM 1089 C ILE A 70 -9.084 -1.154 -4.618 1.00 0.00 C ATOM 1090 O ILE A 70 -8.123 -1.615 -5.242 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.203 -0.352 -5.661 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.619 -0.727 -6.102 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.384 0.131 -6.854 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.367 0.408 -6.771 1.00 0.00 C ATOM 0 H ILE A 70 -12.114 -1.483 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.497 -2.395 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.271 0.461 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.565 -1.571 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.185 -1.061 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.888 0.976 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.396 0.441 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.282 -0.678 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.363 0.069 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.453 1.245 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.824 0.728 -7.660 1.00 0.00 H new ATOM 1106 N ALA A 71 -8.957 -0.309 -3.603 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.661 0.202 -3.187 1.00 0.00 C ATOM 1108 C ALA A 71 -6.752 -0.907 -2.670 1.00 0.00 C ATOM 1109 O ALA A 71 -5.579 -0.972 -3.032 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.834 1.277 -2.123 1.00 0.00 C ATOM 0 H ALA A 71 -9.742 0.038 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.184 0.637 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.856 1.651 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.427 2.097 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.344 0.854 -1.258 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.294 -1.794 -1.842 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.465 -2.791 -1.174 1.00 0.00 C ATOM 1118 C ARG A 72 -5.975 -3.860 -2.150 1.00 0.00 C ATOM 1119 O ARG A 72 -4.854 -4.350 -2.023 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.212 -3.449 -0.017 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.280 -3.926 1.086 1.00 0.00 C ATOM 1122 CD ARG A 72 -6.566 -5.357 1.503 1.00 0.00 C ATOM 1123 NE ARG A 72 -6.277 -6.310 0.432 1.00 0.00 N ATOM 1124 CZ ARG A 72 -6.338 -7.633 0.579 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -6.583 -8.160 1.774 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -6.118 -8.431 -0.458 1.00 0.00 N ATOM 0 H ARG A 72 -8.288 -1.844 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.598 -2.265 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.927 -2.740 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.785 -4.296 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.248 -3.849 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.380 -3.271 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.968 -5.605 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.612 -5.447 1.795 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.013 -5.940 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.725 -7.552 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.629 -9.173 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.901 -8.032 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.166 -9.443 -0.342 1.00 0.00 H new ATOM 1140 N THR A 73 -6.809 -4.231 -3.112 1.00 0.00 N ATOM 1141 CA THR A 73 -6.416 -5.230 -4.095 1.00 0.00 C ATOM 1142 C THR A 73 -5.332 -4.672 -5.019 1.00 0.00 C ATOM 1143 O THR A 73 -4.335 -5.341 -5.301 1.00 0.00 O ATOM 1144 CB THR A 73 -7.622 -5.706 -4.930 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.687 -6.121 -4.060 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.228 -6.864 -5.838 1.00 0.00 C ATOM 0 H THR A 73 -7.751 -3.860 -3.232 1.00 0.00 H new ATOM 0 HA THR A 73 -6.019 -6.088 -3.552 1.00 0.00 H new ATOM 0 HB THR A 73 -7.958 -4.874 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.130 -5.331 -3.686 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.094 -7.183 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.437 -6.542 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.870 -7.696 -5.232 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.516 -3.432 -5.460 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.538 -2.776 -6.322 1.00 0.00 C ATOM 1156 C ALA A 74 -3.242 -2.517 -5.561 1.00 0.00 C ATOM 1157 O ALA A 74 -2.157 -2.492 -6.143 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.105 -1.477 -6.872 1.00 0.00 C ATOM 0 H ALA A 74 -6.331 -2.862 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.316 -3.437 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.364 -0.999 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.004 -1.689 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.354 -0.810 -6.046 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.370 -2.331 -4.253 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.220 -2.170 -3.374 1.00 0.00 C ATOM 1166 C PHE A 75 -1.327 -3.408 -3.448 1.00 0.00 C ATOM 1167 O PHE A 75 -0.106 -3.304 -3.580 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.699 -1.945 -1.935 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.607 -1.582 -0.972 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.891 -2.565 -0.309 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.305 -0.254 -0.724 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.110 -2.228 0.579 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.305 0.087 0.163 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.403 -0.900 0.816 1.00 0.00 C ATOM 0 H PHE A 75 -4.270 -2.288 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.641 -1.304 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.448 -1.153 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.192 -2.851 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.118 -3.605 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.858 0.523 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.664 -3.003 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.077 1.127 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.185 -0.634 1.512 1.00 0.00 H new ATOM 1184 N VAL A 76 -1.952 -4.581 -3.384 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.230 -5.847 -3.469 1.00 0.00 C ATOM 1186 C VAL A 76 -0.579 -6.002 -4.843 1.00 0.00 C ATOM 1187 O VAL A 76 0.503 -6.576 -4.968 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.162 -7.051 -3.194 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.400 -8.365 -3.290 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -2.814 -6.915 -1.826 1.00 0.00 C ATOM 0 H VAL A 76 -2.961 -4.681 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.455 -5.833 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.942 -7.056 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.079 -9.195 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.980 -8.470 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.594 -8.373 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.467 -7.770 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.042 -6.881 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.401 -5.997 -1.792 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.233 -5.467 -5.868 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.686 -5.490 -7.220 1.00 0.00 C ATOM 1202 C ALA A 77 0.613 -4.690 -7.290 1.00 0.00 C ATOM 1203 O ALA A 77 1.578 -5.108 -7.929 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.701 -4.952 -8.218 1.00 0.00 C ATOM 0 H ALA A 77 -2.142 -5.012 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.464 -6.525 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.274 -4.977 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.600 -5.568 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.957 -3.925 -7.959 1.00 0.00 H new ATOM 1210 N ALA A 78 0.636 -3.548 -6.613 1.00 0.00 N ATOM 1211 CA ALA A 78 1.832 -2.714 -6.554 1.00 0.00 C ATOM 1212 C ALA A 78 2.893 -3.352 -5.663 1.00 0.00 C ATOM 1213 O ALA A 78 4.090 -3.107 -5.822 1.00 0.00 O ATOM 1214 CB ALA A 78 1.483 -1.321 -6.052 1.00 0.00 C ATOM 0 H ALA A 78 -0.161 -3.177 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 78 2.239 -2.629 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.386 -0.711 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.763 -0.861 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.050 -1.392 -5.054 1.00 0.00 H new ATOM 1220 N SER A 79 2.443 -4.189 -4.735 1.00 0.00 N ATOM 1221 CA SER A 79 3.339 -4.880 -3.816 1.00 0.00 C ATOM 1222 C SER A 79 4.163 -5.941 -4.547 1.00 0.00 C ATOM 1223 O SER A 79 5.202 -6.387 -4.058 1.00 0.00 O ATOM 1224 CB SER A 79 2.532 -5.526 -2.688 1.00 0.00 C ATOM 1225 OG SER A 79 1.749 -4.562 -2.005 1.00 0.00 O ATOM 0 H SER A 79 1.456 -4.406 -4.599 1.00 0.00 H new ATOM 0 HA SER A 79 4.027 -4.148 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.884 -6.301 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.208 -6.014 -1.986 1.00 0.00 H new ATOM 0 HG SER A 79 1.070 -4.201 -2.613 1.00 0.00 H new ATOM 1231 N ARG A 80 3.705 -6.320 -5.735 1.00 0.00 N ATOM 1232 CA ARG A 80 4.350 -7.373 -6.511 1.00 0.00 C ATOM 1233 C ARG A 80 5.732 -6.941 -6.993 1.00 0.00 C ATOM 1234 O ARG A 80 6.592 -7.779 -7.258 1.00 0.00 O ATOM 1235 CB ARG A 80 3.473 -7.774 -7.699 1.00 0.00 C ATOM 1236 CG ARG A 80 2.094 -8.261 -7.286 1.00 0.00 C ATOM 1237 CD ARG A 80 1.258 -8.674 -8.483 1.00 0.00 C ATOM 1238 NE ARG A 80 -0.096 -9.070 -8.093 1.00 0.00 N ATOM 1239 CZ ARG A 80 -0.997 -9.573 -8.937 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.665 -9.827 -10.199 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -2.225 -9.852 -8.508 1.00 0.00 N ATOM 0 H ARG A 80 2.885 -5.911 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 80 4.478 -8.237 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.365 -6.920 -8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.975 -8.559 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.196 -9.106 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.579 -7.472 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.205 -7.847 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.745 -9.503 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.367 -8.954 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.283 -9.637 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.358 -10.212 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.476 -9.681 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.915 -10.237 -9.153 1.00 0.00 H new ATOM 1255 N GLN A 81 5.956 -5.632 -7.083 1.00 0.00 N ATOM 1256 CA GLN A 81 7.254 -5.118 -7.506 1.00 0.00 C ATOM 1257 C GLN A 81 8.291 -5.311 -6.407 1.00 0.00 C ATOM 1258 O GLN A 81 9.487 -5.394 -6.675 1.00 0.00 O ATOM 1259 CB GLN A 81 7.165 -3.642 -7.891 1.00 0.00 C ATOM 1260 CG GLN A 81 6.232 -3.376 -9.056 1.00 0.00 C ATOM 1261 CD GLN A 81 6.437 -2.007 -9.670 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.842 -1.056 -8.996 1.00 0.00 O ATOM 1263 NE2 GLN A 81 6.169 -1.900 -10.960 1.00 0.00 N ATOM 0 H GLN A 81 5.262 -4.915 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 81 7.564 -5.682 -8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.827 -3.069 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.162 -3.280 -8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.385 -4.139 -9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.200 -3.467 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.836 -2.711 -11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.295 -1.006 -11.435 1.00 0.00 H new ATOM 1272 N ALA A 82 7.823 -5.400 -5.168 1.00 0.00 N ATOM 1273 CA ALA A 82 8.704 -5.660 -4.040 1.00 0.00 C ATOM 1274 C ALA A 82 9.010 -7.151 -3.952 1.00 0.00 C ATOM 1275 O ALA A 82 9.927 -7.570 -3.247 1.00 0.00 O ATOM 1276 CB ALA A 82 8.075 -5.163 -2.748 1.00 0.00 C ATOM 0 H ALA A 82 6.839 -5.296 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 82 9.639 -5.120 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.748 -5.366 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.898 -4.090 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.128 -5.677 -2.583 1.00 0.00 H new ATOM 1282 N HIS A 83 8.217 -7.938 -4.684 1.00 0.00 N ATOM 1283 CA HIS A 83 8.384 -9.391 -4.760 1.00 0.00 C ATOM 1284 C HIS A 83 8.212 -10.041 -3.392 1.00 0.00 C ATOM 1285 O HIS A 83 8.726 -11.128 -3.133 1.00 0.00 O ATOM 1286 CB HIS A 83 9.741 -9.756 -5.373 1.00 0.00 C ATOM 1287 CG HIS A 83 9.857 -9.369 -6.816 1.00 0.00 C ATOM 1288 ND1 HIS A 83 9.313 -10.113 -7.838 1.00 0.00 N ATOM 1289 CD2 HIS A 83 10.430 -8.291 -7.403 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.544 -9.514 -8.988 1.00 0.00 C ATOM 1291 NE2 HIS A 83 10.221 -8.406 -8.755 1.00 0.00 N ATOM 0 H HIS A 83 7.440 -7.584 -5.242 1.00 0.00 H new ATOM 0 HA HIS A 83 7.602 -9.780 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.533 -9.265 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.899 -10.830 -5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.953 -7.491 -6.901 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.232 -9.870 -9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.537 -7.743 -9.463 1.00 0.00 H new ATOM 1300 N CYS A 84 7.449 -9.378 -2.536 1.00 0.00 N ATOM 1301 CA CYS A 84 7.152 -9.888 -1.211 1.00 0.00 C ATOM 1302 C CYS A 84 5.645 -9.890 -1.007 1.00 0.00 C ATOM 1303 O CYS A 84 5.080 -8.971 -0.417 1.00 0.00 O ATOM 1304 CB CYS A 84 7.840 -9.035 -0.142 1.00 0.00 C ATOM 1305 SG CYS A 84 9.617 -8.831 -0.398 1.00 0.00 S ATOM 0 H CYS A 84 7.021 -8.475 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 84 7.530 -10.906 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.371 -8.051 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.674 -9.490 0.834 1.00 0.00 H new ATOM 0 HG CYS A 84 9.830 -8.310 -1.570 1.00 0.00 H new ATOM 1311 N LEU A 85 4.997 -10.901 -1.559 1.00 0.00 N ATOM 1312 CA LEU A 85 3.546 -10.993 -1.525 1.00 0.00 C ATOM 1313 C LEU A 85 3.064 -11.942 -0.439 1.00 0.00 C ATOM 1314 O LEU A 85 3.608 -13.033 -0.266 1.00 0.00 O ATOM 1315 CB LEU A 85 3.016 -11.465 -2.879 1.00 0.00 C ATOM 1316 CG LEU A 85 3.248 -10.503 -4.040 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.814 -11.145 -5.348 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.497 -9.203 -3.802 1.00 0.00 C ATOM 0 H LEU A 85 5.456 -11.675 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 85 3.163 -9.997 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.483 -12.420 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.945 -11.648 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 85 4.312 -10.277 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.984 -10.449 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.392 -12.054 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.754 -11.394 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.670 -8.525 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.430 -9.409 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.851 -8.742 -2.880 1.00 0.00 H new ATOM 1330 N MET A 86 2.048 -11.510 0.289 1.00 0.00 N ATOM 1331 CA MET A 86 1.342 -12.371 1.224 1.00 0.00 C ATOM 1332 C MET A 86 -0.154 -12.150 1.078 1.00 0.00 C ATOM 1333 O MET A 86 -0.677 -11.112 1.487 1.00 0.00 O ATOM 1334 CB MET A 86 1.768 -12.111 2.678 1.00 0.00 C ATOM 1335 CG MET A 86 3.158 -12.624 3.028 1.00 0.00 C ATOM 1336 SD MET A 86 3.533 -12.479 4.790 1.00 0.00 S ATOM 1337 CE MET A 86 2.283 -13.554 5.491 1.00 0.00 C ATOM 0 H MET A 86 1.690 -10.556 0.249 1.00 0.00 H new ATOM 0 HA MET A 86 1.595 -13.405 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.731 -11.038 2.868 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.043 -12.578 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.241 -13.669 2.728 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.901 -12.068 2.456 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.608 -13.897 6.473 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.346 -13.006 5.590 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.134 -14.413 4.837 1.00 0.00 H new