USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -51:sc= 0.0197 USER MOD Set 1.2: A 111 TYR OH : rot 30:sc= 0.0233 USER MOD Set 2.1: A 37 THR OG1 : rot -139:sc= -0.729 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 33:sc= 1.08 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -129:sc= -2.3 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.217 K(o=0.22,f=-7.5!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 50 SER OG : rot 35:sc= 0.846 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.327 (180deg=-1.19!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 77:sc= -1.82 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -0.692 (180deg=-1.65) USER MOD Single : A 88 SER OG : rot 180:sc= -0.766 USER MOD Single : A 89 TYR OH : rot -150:sc= -1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -8.1! C(o=-8.1!,f=-20!) USER MOD Single : A 98 MET CE :methyl 143:sc= -2.75 (180deg=-6.45!) USER MOD Single : A 102 SER OG : rot 83:sc= 0.491 USER MOD Single : A 105 SER OG : rot 90:sc= 0.932 USER MOD Single : A 108 SER OG : rot 100:sc= -0.0428 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.362 -13.460 -2.127 1.00 0.00 N ATOM 170 CA LEU A 15 -18.978 -13.210 -1.737 1.00 0.00 C ATOM 171 C LEU A 15 -18.783 -11.755 -1.325 1.00 0.00 C ATOM 172 O LEU A 15 -19.718 -10.955 -1.372 1.00 0.00 O ATOM 173 CB LEU A 15 -18.033 -13.556 -2.889 1.00 0.00 C ATOM 174 CG LEU A 15 -17.524 -14.998 -2.929 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.006 -15.343 -4.316 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.437 -15.209 -1.884 1.00 0.00 C ATOM 0 HA LEU A 15 -18.747 -13.845 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.545 -13.346 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.172 -12.889 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.356 -15.663 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.648 -16.373 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.811 -15.232 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.187 -14.672 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.087 -16.240 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.605 -14.534 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.841 -15.004 -0.893 1.00 0.00 H new ATOM 188 N SER A 16 -17.561 -11.417 -0.924 1.00 0.00 N ATOM 189 CA SER A 16 -17.244 -10.058 -0.502 1.00 0.00 C ATOM 190 C SER A 16 -15.873 -9.635 -1.020 1.00 0.00 C ATOM 191 O SER A 16 -15.045 -10.460 -1.406 1.00 0.00 O ATOM 192 CB SER A 16 -17.279 -9.954 1.023 1.00 0.00 C ATOM 193 OG SER A 16 -18.564 -9.568 1.479 1.00 0.00 O ATOM 0 H SER A 16 -16.775 -12.066 -0.883 1.00 0.00 H new ATOM 0 HA SER A 16 -17.995 -9.389 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.007 -10.914 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.538 -9.229 1.358 1.00 0.00 H new ATOM 0 HG SER A 16 -18.560 -9.510 2.457 1.00 0.00 H new ATOM 199 N PRO A 17 -15.626 -8.316 -1.030 1.00 0.00 N ATOM 200 CA PRO A 17 -14.356 -7.752 -1.498 1.00 0.00 C ATOM 201 C PRO A 17 -13.201 -8.061 -0.552 1.00 0.00 C ATOM 202 O PRO A 17 -13.392 -8.555 0.559 1.00 0.00 O ATOM 203 CB PRO A 17 -14.629 -6.246 -1.534 1.00 0.00 C ATOM 204 CG PRO A 17 -15.718 -6.035 -0.540 1.00 0.00 C ATOM 205 CD PRO A 17 -16.566 -7.275 -0.584 1.00 0.00 C ATOM 0 HA PRO A 17 -14.055 -8.168 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.738 -5.676 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.933 -5.922 -2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.310 -5.877 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.306 -5.151 -0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.989 -7.507 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.402 -7.166 -1.275 1.00 0.00 H new ATOM 213 N PRO A 18 -11.972 -7.764 -1.000 1.00 0.00 N ATOM 214 CA PRO A 18 -10.762 -8.000 -0.209 1.00 0.00 C ATOM 215 C PRO A 18 -10.659 -7.061 0.989 1.00 0.00 C ATOM 216 O PRO A 18 -11.231 -5.971 0.984 1.00 0.00 O ATOM 217 CB PRO A 18 -9.630 -7.727 -1.202 1.00 0.00 C ATOM 218 CG PRO A 18 -10.219 -6.794 -2.201 1.00 0.00 C ATOM 219 CD PRO A 18 -11.670 -7.172 -2.314 1.00 0.00 C ATOM 0 HA PRO A 18 -10.742 -9.004 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.767 -7.283 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.287 -8.648 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.109 -5.758 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.716 -6.884 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.297 -6.304 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.838 -7.883 -3.123 1.00 0.00 H new ATOM 227 N GLU A 19 -9.926 -7.491 2.011 1.00 0.00 N ATOM 228 CA GLU A 19 -9.750 -6.687 3.214 1.00 0.00 C ATOM 229 C GLU A 19 -8.425 -5.930 3.174 1.00 0.00 C ATOM 230 O GLU A 19 -7.625 -6.106 2.256 1.00 0.00 O ATOM 231 CB GLU A 19 -9.806 -7.574 4.460 1.00 0.00 C ATOM 232 CG GLU A 19 -8.456 -8.145 4.861 1.00 0.00 C ATOM 233 CD GLU A 19 -8.514 -8.916 6.166 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.647 -8.275 7.229 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.425 -10.161 6.123 1.00 0.00 O ATOM 0 H GLU A 19 -9.445 -8.390 2.030 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.562 -5.961 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.207 -6.994 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.500 -8.395 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.094 -8.802 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.735 -7.333 4.955 1.00 0.00 H new ATOM 242 N ALA A 20 -8.201 -5.087 4.177 1.00 0.00 N ATOM 243 CA ALA A 20 -6.974 -4.306 4.258 1.00 0.00 C ATOM 244 C ALA A 20 -5.771 -5.199 4.545 1.00 0.00 C ATOM 245 O ALA A 20 -5.715 -5.901 5.554 1.00 0.00 O ATOM 246 CB ALA A 20 -7.102 -3.231 5.327 1.00 0.00 C ATOM 0 H ALA A 20 -8.854 -4.928 4.944 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.815 -3.826 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.178 -2.655 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.930 -2.567 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.290 -3.699 6.293 1.00 0.00 H new ATOM 252 N PRO A 21 -4.785 -5.174 3.637 1.00 0.00 N ATOM 253 CA PRO A 21 -3.565 -5.976 3.770 1.00 0.00 C ATOM 254 C PRO A 21 -2.669 -5.484 4.901 1.00 0.00 C ATOM 255 O PRO A 21 -2.808 -4.353 5.368 1.00 0.00 O ATOM 256 CB PRO A 21 -2.870 -5.793 2.418 1.00 0.00 C ATOM 257 CG PRO A 21 -3.372 -4.486 1.909 1.00 0.00 C ATOM 258 CD PRO A 21 -4.784 -4.360 2.409 1.00 0.00 C ATOM 0 HA PRO A 21 -3.785 -7.015 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.786 -5.785 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.115 -6.605 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.755 -3.664 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.340 -4.453 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.046 -3.322 2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.503 -4.732 1.680 1.00 0.00 H new ATOM 266 N ASP A 22 -1.749 -6.338 5.336 1.00 0.00 N ATOM 267 CA ASP A 22 -0.829 -5.990 6.412 1.00 0.00 C ATOM 268 C ASP A 22 -0.158 -4.646 6.139 1.00 0.00 C ATOM 269 O ASP A 22 -0.338 -4.057 5.072 1.00 0.00 O ATOM 270 CB ASP A 22 0.232 -7.079 6.577 1.00 0.00 C ATOM 271 CG ASP A 22 0.773 -7.149 7.991 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.042 -6.765 8.926 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.931 -7.586 8.162 1.00 0.00 O ATOM 0 H ASP A 22 -1.621 -7.277 4.959 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.402 -5.910 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.197 -8.044 6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.053 -6.890 5.886 1.00 0.00 H new ATOM 278 N ARG A 23 0.615 -4.169 7.109 1.00 0.00 N ATOM 279 CA ARG A 23 1.309 -2.895 6.974 1.00 0.00 C ATOM 280 C ARG A 23 2.580 -3.054 6.144 1.00 0.00 C ATOM 281 O ARG A 23 3.459 -3.857 6.458 1.00 0.00 O ATOM 282 CB ARG A 23 1.655 -2.329 8.353 1.00 0.00 C ATOM 283 CG ARG A 23 2.252 -0.933 8.306 1.00 0.00 C ATOM 284 CD ARG A 23 2.138 -0.232 9.651 1.00 0.00 C ATOM 285 NE ARG A 23 3.178 -0.662 10.583 1.00 0.00 N ATOM 286 CZ ARG A 23 3.238 -0.268 11.850 1.00 0.00 C ATOM 287 NH1 ARG A 23 2.322 0.560 12.334 1.00 0.00 N ATOM 288 NH2 ARG A 23 4.215 -0.702 12.635 1.00 0.00 N ATOM 0 H ARG A 23 0.776 -4.646 7.996 1.00 0.00 H new ATOM 0 HA ARG A 23 0.644 -2.200 6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.753 -2.309 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.359 -3.000 8.845 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.300 -0.994 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.743 -0.344 7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.206 0.846 9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.158 -0.434 10.083 1.00 0.00 H new ATOM 0 HE ARG A 23 3.897 -1.300 10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.569 0.896 11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.370 0.861 13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.921 -1.339 12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.260 -0.399 13.608 1.00 0.00 H new ATOM 302 N PRO A 24 2.682 -2.271 5.060 1.00 0.00 N ATOM 303 CA PRO A 24 3.841 -2.306 4.164 1.00 0.00 C ATOM 304 C PRO A 24 5.095 -1.734 4.815 1.00 0.00 C ATOM 305 O PRO A 24 5.026 -0.778 5.589 1.00 0.00 O ATOM 306 CB PRO A 24 3.405 -1.433 2.985 1.00 0.00 C ATOM 307 CG PRO A 24 2.383 -0.510 3.554 1.00 0.00 C ATOM 308 CD PRO A 24 1.673 -1.290 4.627 1.00 0.00 C ATOM 0 HA PRO A 24 4.107 -3.325 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.248 -0.882 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.988 -2.036 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.851 0.384 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.685 -0.179 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.358 -0.647 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.777 -1.778 4.243 1.00 0.00 H new ATOM 316 N THR A 25 6.244 -2.324 4.498 1.00 0.00 N ATOM 317 CA THR A 25 7.514 -1.873 5.051 1.00 0.00 C ATOM 318 C THR A 25 8.204 -0.888 4.115 1.00 0.00 C ATOM 319 O THR A 25 7.828 -0.758 2.950 1.00 0.00 O ATOM 320 CB THR A 25 8.461 -3.057 5.322 1.00 0.00 C ATOM 321 OG1 THR A 25 9.484 -2.666 6.244 1.00 0.00 O ATOM 322 CG2 THR A 25 9.097 -3.547 4.029 1.00 0.00 C ATOM 0 H THR A 25 6.320 -3.116 3.860 1.00 0.00 H new ATOM 0 HA THR A 25 7.288 -1.375 5.994 1.00 0.00 H new ATOM 0 HB THR A 25 7.877 -3.870 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.081 -3.425 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.762 -4.383 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.317 -3.872 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.668 -2.737 3.575 1.00 0.00 H new ATOM 330 N ILE A 26 9.216 -0.198 4.631 1.00 0.00 N ATOM 331 CA ILE A 26 9.959 0.774 3.839 1.00 0.00 C ATOM 332 C ILE A 26 11.459 0.514 3.916 1.00 0.00 C ATOM 333 O ILE A 26 12.045 0.519 5.000 1.00 0.00 O ATOM 334 CB ILE A 26 9.674 2.214 4.303 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.185 2.393 4.602 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.131 3.211 3.248 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.283 1.916 3.485 1.00 0.00 C ATOM 0 H ILE A 26 9.540 -0.294 5.593 1.00 0.00 H new ATOM 0 HA ILE A 26 9.626 0.661 2.807 1.00 0.00 H new ATOM 0 HB ILE A 26 10.234 2.401 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.938 1.850 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.985 3.447 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.923 4.225 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.202 3.098 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.596 3.026 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.242 2.074 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.502 2.476 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.454 0.854 3.307 1.00 0.00 H new ATOM 349 N SER A 27 12.076 0.288 2.762 1.00 0.00 N ATOM 350 CA SER A 27 13.509 0.024 2.699 1.00 0.00 C ATOM 351 C SER A 27 14.214 1.055 1.823 1.00 0.00 C ATOM 352 O SER A 27 13.588 1.985 1.312 1.00 0.00 O ATOM 353 CB SER A 27 13.766 -1.383 2.155 1.00 0.00 C ATOM 354 OG SER A 27 14.968 -1.921 2.680 1.00 0.00 O ATOM 0 H SER A 27 11.606 0.282 1.857 1.00 0.00 H new ATOM 0 HA SER A 27 13.911 0.095 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.930 -2.034 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.823 -1.351 1.067 1.00 0.00 H new ATOM 0 HG SER A 27 15.109 -2.821 2.319 1.00 0.00 H new ATOM 360 N THR A 28 15.521 0.886 1.654 1.00 0.00 N ATOM 361 CA THR A 28 16.313 1.801 0.843 1.00 0.00 C ATOM 362 C THR A 28 16.539 1.240 -0.557 1.00 0.00 C ATOM 363 O THR A 28 17.412 0.398 -0.765 1.00 0.00 O ATOM 364 CB THR A 28 17.678 2.092 1.493 1.00 0.00 C ATOM 365 OG1 THR A 28 17.490 2.646 2.800 1.00 0.00 O ATOM 366 CG2 THR A 28 18.490 3.055 0.641 1.00 0.00 C ATOM 0 H THR A 28 16.054 0.122 2.069 1.00 0.00 H new ATOM 0 HA THR A 28 15.747 2.730 0.773 1.00 0.00 H new ATOM 0 HB THR A 28 18.225 1.153 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.862 3.396 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.450 3.245 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.657 2.618 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.946 3.993 0.534 1.00 0.00 H new ATOM 374 N ALA A 29 15.747 1.714 -1.514 1.00 0.00 N ATOM 375 CA ALA A 29 15.863 1.260 -2.895 1.00 0.00 C ATOM 376 C ALA A 29 16.629 2.272 -3.741 1.00 0.00 C ATOM 377 O ALA A 29 17.454 1.900 -4.575 1.00 0.00 O ATOM 378 CB ALA A 29 14.485 1.011 -3.486 1.00 0.00 C ATOM 0 H ALA A 29 15.019 2.411 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 29 16.422 0.324 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.587 0.673 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.971 0.247 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.907 1.935 -3.463 1.00 0.00 H new ATOM 384 N SER A 30 16.349 3.552 -3.523 1.00 0.00 N ATOM 385 CA SER A 30 17.008 4.617 -4.270 1.00 0.00 C ATOM 386 C SER A 30 16.833 5.961 -3.568 1.00 0.00 C ATOM 387 O SER A 30 16.222 6.043 -2.503 1.00 0.00 O ATOM 388 CB SER A 30 16.447 4.694 -5.691 1.00 0.00 C ATOM 389 OG SER A 30 17.088 3.761 -6.542 1.00 0.00 O ATOM 0 H SER A 30 15.670 3.877 -2.835 1.00 0.00 H new ATOM 0 HA SER A 30 18.073 4.388 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.375 4.498 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.581 5.702 -6.084 1.00 0.00 H new ATOM 0 HG SER A 30 17.329 2.962 -6.028 1.00 0.00 H new ATOM 395 N GLU A 31 17.373 7.014 -4.175 1.00 0.00 N ATOM 396 CA GLU A 31 17.278 8.354 -3.608 1.00 0.00 C ATOM 397 C GLU A 31 15.964 9.021 -4.007 1.00 0.00 C ATOM 398 O GLU A 31 15.564 10.028 -3.423 1.00 0.00 O ATOM 399 CB GLU A 31 18.458 9.211 -4.069 1.00 0.00 C ATOM 400 CG GLU A 31 18.486 9.453 -5.568 1.00 0.00 C ATOM 401 CD GLU A 31 19.037 8.270 -6.341 1.00 0.00 C ATOM 402 OE1 GLU A 31 19.889 7.546 -5.786 1.00 0.00 O ATOM 403 OE2 GLU A 31 18.615 8.067 -7.498 1.00 0.00 O ATOM 0 H GLU A 31 17.880 6.965 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 31 17.305 8.265 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.421 10.172 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.387 8.725 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.476 9.671 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.092 10.334 -5.779 1.00 0.00 H new ATOM 410 N THR A 32 15.298 8.452 -5.007 1.00 0.00 N ATOM 411 CA THR A 32 14.031 8.990 -5.486 1.00 0.00 C ATOM 412 C THR A 32 12.901 7.986 -5.299 1.00 0.00 C ATOM 413 O THR A 32 11.732 8.302 -5.524 1.00 0.00 O ATOM 414 CB THR A 32 14.114 9.383 -6.973 1.00 0.00 C ATOM 415 OG1 THR A 32 14.790 8.359 -7.713 1.00 0.00 O ATOM 416 CG2 THR A 32 14.845 10.706 -7.144 1.00 0.00 C ATOM 0 H THR A 32 15.615 7.618 -5.501 1.00 0.00 H new ATOM 0 HA THR A 32 13.822 9.881 -4.894 1.00 0.00 H new ATOM 0 HB THR A 32 13.099 9.496 -7.353 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.837 8.615 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.891 10.962 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.312 11.489 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.857 10.617 -6.748 1.00 0.00 H new ATOM 424 N SER A 33 13.256 6.772 -4.887 1.00 0.00 N ATOM 425 CA SER A 33 12.270 5.719 -4.672 1.00 0.00 C ATOM 426 C SER A 33 12.651 4.855 -3.474 1.00 0.00 C ATOM 427 O SER A 33 13.742 4.987 -2.920 1.00 0.00 O ATOM 428 CB SER A 33 12.142 4.850 -5.924 1.00 0.00 C ATOM 429 OG SER A 33 13.234 3.953 -6.036 1.00 0.00 O ATOM 0 H SER A 33 14.219 6.494 -4.696 1.00 0.00 H new ATOM 0 HA SER A 33 11.309 6.190 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.208 4.289 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.097 5.485 -6.809 1.00 0.00 H new ATOM 0 HG SER A 33 13.624 4.023 -6.932 1.00 0.00 H new ATOM 435 N VAL A 34 11.742 3.968 -3.081 1.00 0.00 N ATOM 436 CA VAL A 34 11.981 3.079 -1.950 1.00 0.00 C ATOM 437 C VAL A 34 11.287 1.736 -2.150 1.00 0.00 C ATOM 438 O VAL A 34 10.255 1.652 -2.814 1.00 0.00 O ATOM 439 CB VAL A 34 11.494 3.705 -0.631 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.317 4.937 -0.288 1.00 0.00 C ATOM 441 CG2 VAL A 34 10.014 4.050 -0.721 1.00 0.00 C ATOM 0 H VAL A 34 10.834 3.846 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 34 13.058 2.923 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 34 11.627 2.976 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.958 5.366 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.365 4.656 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.219 5.673 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.685 4.492 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.855 4.762 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.440 3.144 -0.916 1.00 0.00 H new ATOM 451 N TYR A 35 11.861 0.688 -1.569 1.00 0.00 N ATOM 452 CA TYR A 35 11.299 -0.652 -1.684 1.00 0.00 C ATOM 453 C TYR A 35 10.221 -0.883 -0.630 1.00 0.00 C ATOM 454 O TYR A 35 10.484 -0.809 0.570 1.00 0.00 O ATOM 455 CB TYR A 35 12.400 -1.704 -1.543 1.00 0.00 C ATOM 456 CG TYR A 35 13.191 -1.927 -2.812 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.555 -2.261 -4.001 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.575 -1.804 -2.822 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.273 -2.467 -5.163 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.302 -2.006 -3.979 1.00 0.00 C ATOM 461 CZ TYR A 35 14.646 -2.338 -5.147 1.00 0.00 C ATOM 462 OH TYR A 35 15.366 -2.542 -6.302 1.00 0.00 O ATOM 0 H TYR A 35 12.715 0.741 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 35 10.843 -0.743 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.082 -1.400 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.951 -2.648 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.480 -2.361 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.091 -1.546 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.762 -2.727 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.377 -1.905 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 35 16.320 -2.411 -6.120 1.00 0.00 H new ATOM 472 N VAL A 36 9.005 -1.164 -1.088 1.00 0.00 N ATOM 473 CA VAL A 36 7.886 -1.409 -0.186 1.00 0.00 C ATOM 474 C VAL A 36 7.405 -2.852 -0.285 1.00 0.00 C ATOM 475 O VAL A 36 7.173 -3.368 -1.380 1.00 0.00 O ATOM 476 CB VAL A 36 6.707 -0.464 -0.485 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.522 -0.786 0.413 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.131 0.987 -0.320 1.00 0.00 C ATOM 0 H VAL A 36 8.770 -1.228 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 36 8.247 -1.219 0.825 1.00 0.00 H new ATOM 0 HB VAL A 36 6.399 -0.614 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.699 -0.108 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.203 -1.814 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.813 -0.667 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.285 1.640 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.467 1.154 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.945 1.209 -1.010 1.00 0.00 H new ATOM 488 N THR A 37 7.255 -3.501 0.866 1.00 0.00 N ATOM 489 CA THR A 37 6.802 -4.885 0.909 1.00 0.00 C ATOM 490 C THR A 37 5.624 -5.049 1.863 1.00 0.00 C ATOM 491 O THR A 37 5.714 -4.699 3.040 1.00 0.00 O ATOM 492 CB THR A 37 7.934 -5.834 1.342 1.00 0.00 C ATOM 493 OG1 THR A 37 9.074 -5.656 0.494 1.00 0.00 O ATOM 494 CG2 THR A 37 7.477 -7.284 1.289 1.00 0.00 C ATOM 0 H THR A 37 7.441 -3.089 1.781 1.00 0.00 H new ATOM 0 HA THR A 37 6.487 -5.145 -0.101 1.00 0.00 H new ATOM 0 HB THR A 37 8.205 -5.594 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.466 -6.530 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.295 -7.935 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.628 -7.423 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.180 -7.535 0.271 1.00 0.00 H new ATOM 502 N TRP A 38 4.523 -5.582 1.349 1.00 0.00 N ATOM 503 CA TRP A 38 3.326 -5.793 2.157 1.00 0.00 C ATOM 504 C TRP A 38 2.930 -7.265 2.169 1.00 0.00 C ATOM 505 O TRP A 38 3.451 -8.064 1.390 1.00 0.00 O ATOM 506 CB TRP A 38 2.171 -4.945 1.625 1.00 0.00 C ATOM 507 CG TRP A 38 1.708 -5.360 0.261 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.614 -6.122 -0.036 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.326 -5.037 -0.989 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.515 -6.293 -1.396 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.553 -5.637 -2.003 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.456 -4.299 -1.351 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.877 -5.521 -3.352 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.776 -4.185 -2.690 1.00 0.00 C ATOM 515 CH2 TRP A 38 2.989 -4.791 -3.678 1.00 0.00 C ATOM 0 H TRP A 38 4.433 -5.876 0.377 1.00 0.00 H new ATOM 0 HA TRP A 38 3.549 -5.488 3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.334 -5.008 2.320 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.481 -3.901 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.072 -6.530 0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.213 -6.822 -1.876 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.068 -3.826 -0.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.273 -5.990 -4.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.648 -3.619 -2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.264 -4.680 -4.716 1.00 0.00 H new ATOM 526 N ILE A 39 2.005 -7.617 3.056 1.00 0.00 N ATOM 527 CA ILE A 39 1.538 -8.993 3.167 1.00 0.00 C ATOM 528 C ILE A 39 0.015 -9.056 3.202 1.00 0.00 C ATOM 529 O ILE A 39 -0.624 -8.686 4.187 1.00 0.00 O ATOM 530 CB ILE A 39 2.098 -9.678 4.428 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.619 -9.520 4.489 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.712 -11.149 4.448 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.359 -10.431 3.535 1.00 0.00 C ATOM 0 H ILE A 39 1.564 -6.968 3.708 1.00 0.00 H new ATOM 0 HA ILE A 39 1.901 -9.521 2.285 1.00 0.00 H new ATOM 0 HB ILE A 39 1.666 -9.197 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.878 -8.485 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.957 -9.720 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.115 -11.619 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.626 -11.240 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.118 -11.644 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.432 -10.265 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.129 -11.470 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.050 -10.215 2.512 1.00 0.00 H new ATOM 545 N PRO A 40 -0.583 -9.538 2.102 1.00 0.00 N ATOM 546 CA PRO A 40 -2.038 -9.663 1.982 1.00 0.00 C ATOM 547 C PRO A 40 -2.602 -10.755 2.886 1.00 0.00 C ATOM 548 O PRO A 40 -1.983 -11.803 3.069 1.00 0.00 O ATOM 549 CB PRO A 40 -2.243 -10.028 0.511 1.00 0.00 C ATOM 550 CG PRO A 40 -0.967 -10.677 0.099 1.00 0.00 C ATOM 551 CD PRO A 40 0.116 -9.997 0.890 1.00 0.00 C ATOM 0 HA PRO A 40 -2.552 -8.750 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.089 -10.704 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.449 -9.143 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.989 -11.747 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.799 -10.563 -0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.929 -10.682 1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.554 -9.165 0.339 1.00 0.00 H new ATOM 559 N ARG A 41 -3.781 -10.502 3.446 1.00 0.00 N ATOM 560 CA ARG A 41 -4.427 -11.464 4.330 1.00 0.00 C ATOM 561 C ARG A 41 -5.688 -12.032 3.686 1.00 0.00 C ATOM 562 O ARG A 41 -5.753 -13.217 3.362 1.00 0.00 O ATOM 563 CB ARG A 41 -4.776 -10.806 5.667 1.00 0.00 C ATOM 564 CG ARG A 41 -3.778 -9.745 6.101 1.00 0.00 C ATOM 565 CD ARG A 41 -2.380 -10.324 6.255 1.00 0.00 C ATOM 566 NE ARG A 41 -2.123 -10.782 7.617 1.00 0.00 N ATOM 567 CZ ARG A 41 -2.446 -11.992 8.059 1.00 0.00 C ATOM 568 NH1 ARG A 41 -3.033 -12.862 7.250 1.00 0.00 N ATOM 569 NH2 ARG A 41 -2.179 -12.335 9.314 1.00 0.00 N ATOM 0 H ARG A 41 -4.307 -9.640 3.303 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.730 -12.283 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.765 -10.354 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.834 -11.575 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.760 -8.939 5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.098 -9.308 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.255 -11.157 5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.643 -9.569 5.982 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.670 -10.137 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.238 -12.603 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.280 -13.791 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.726 -11.669 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.427 -13.265 9.653 1.00 0.00 H new ATOM 583 N GLY A 42 -6.691 -11.178 3.505 1.00 0.00 N ATOM 584 CA GLY A 42 -7.937 -11.612 2.902 1.00 0.00 C ATOM 585 C GLY A 42 -8.123 -11.068 1.500 1.00 0.00 C ATOM 586 O GLY A 42 -7.724 -9.943 1.205 1.00 0.00 O ATOM 0 H GLY A 42 -6.662 -10.192 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.962 -12.701 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.771 -11.291 3.527 1.00 0.00 H new ATOM 590 N ASN A 43 -8.729 -11.871 0.631 1.00 0.00 N ATOM 591 CA ASN A 43 -8.966 -11.464 -0.750 1.00 0.00 C ATOM 592 C ASN A 43 -10.459 -11.352 -1.037 1.00 0.00 C ATOM 593 O ASN A 43 -10.873 -11.200 -2.185 1.00 0.00 O ATOM 594 CB ASN A 43 -8.323 -12.462 -1.715 1.00 0.00 C ATOM 595 CG ASN A 43 -8.788 -13.884 -1.469 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.566 -14.146 -0.552 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.311 -14.813 -2.290 1.00 0.00 N ATOM 0 H ASN A 43 -9.065 -12.807 0.858 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.513 -10.484 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.560 -12.177 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.239 -12.414 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.588 -15.788 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.668 -14.552 -3.037 1.00 0.00 H new ATOM 604 N GLY A 44 -11.266 -11.428 0.018 1.00 0.00 N ATOM 605 CA GLY A 44 -12.706 -11.333 -0.141 1.00 0.00 C ATOM 606 C GLY A 44 -13.322 -12.630 -0.629 1.00 0.00 C ATOM 607 O GLY A 44 -14.535 -12.720 -0.807 1.00 0.00 O ATOM 0 H GLY A 44 -10.948 -11.554 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.156 -11.057 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.939 -10.536 -0.847 1.00 0.00 H new ATOM 611 N GLY A 45 -12.482 -13.637 -0.848 1.00 0.00 N ATOM 612 CA GLY A 45 -12.969 -14.920 -1.319 1.00 0.00 C ATOM 613 C GLY A 45 -12.555 -15.208 -2.748 1.00 0.00 C ATOM 614 O GLY A 45 -12.505 -16.366 -3.167 1.00 0.00 O ATOM 0 H GLY A 45 -11.473 -13.587 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.592 -15.709 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.056 -14.941 -1.248 1.00 0.00 H new ATOM 618 N PHE A 46 -12.258 -14.155 -3.501 1.00 0.00 N ATOM 619 CA PHE A 46 -11.848 -14.300 -4.893 1.00 0.00 C ATOM 620 C PHE A 46 -10.371 -13.958 -5.065 1.00 0.00 C ATOM 621 O PHE A 46 -9.755 -13.314 -4.215 1.00 0.00 O ATOM 622 CB PHE A 46 -12.700 -13.402 -5.793 1.00 0.00 C ATOM 623 CG PHE A 46 -13.925 -14.083 -6.334 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.843 -15.354 -6.880 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.158 -13.451 -6.294 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.969 -15.981 -7.378 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.287 -14.075 -6.791 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.192 -15.342 -7.332 1.00 0.00 C ATOM 0 H PHE A 46 -12.293 -13.191 -3.171 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.997 -15.340 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.004 -12.520 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.090 -13.053 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.889 -15.860 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.237 -12.461 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.892 -16.971 -7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.242 -13.572 -6.756 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.073 -15.832 -7.719 1.00 0.00 H new ATOM 638 N PRO A 47 -9.789 -14.400 -6.188 1.00 0.00 N ATOM 639 CA PRO A 47 -8.378 -14.152 -6.498 1.00 0.00 C ATOM 640 C PRO A 47 -8.101 -12.687 -6.815 1.00 0.00 C ATOM 641 O PRO A 47 -8.564 -12.163 -7.828 1.00 0.00 O ATOM 642 CB PRO A 47 -8.128 -15.022 -7.734 1.00 0.00 C ATOM 643 CG PRO A 47 -9.467 -15.167 -8.371 1.00 0.00 C ATOM 644 CD PRO A 47 -10.463 -15.173 -7.245 1.00 0.00 C ATOM 0 HA PRO A 47 -7.729 -14.387 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.416 -14.552 -8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.713 -15.992 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.662 -14.345 -9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.526 -16.089 -8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.406 -14.713 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.692 -16.187 -6.917 1.00 0.00 H new ATOM 652 N ILE A 48 -7.345 -12.031 -5.942 1.00 0.00 N ATOM 653 CA ILE A 48 -7.006 -10.625 -6.129 1.00 0.00 C ATOM 654 C ILE A 48 -6.535 -10.359 -7.554 1.00 0.00 C ATOM 655 O ILE A 48 -5.729 -11.111 -8.102 1.00 0.00 O ATOM 656 CB ILE A 48 -5.910 -10.174 -5.145 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.455 -10.155 -3.715 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.381 -8.802 -5.535 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.401 -9.855 -2.672 1.00 0.00 C ATOM 0 H ILE A 48 -6.955 -12.450 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.913 -10.053 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.086 -10.886 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.246 -9.408 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.909 -11.121 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.607 -8.497 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.960 -8.846 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.196 -8.079 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.858 -9.857 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.621 -10.615 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.964 -8.876 -2.868 1.00 0.00 H new ATOM 671 N GLN A 49 -7.043 -9.284 -8.148 1.00 0.00 N ATOM 672 CA GLN A 49 -6.672 -8.918 -9.510 1.00 0.00 C ATOM 673 C GLN A 49 -5.369 -8.125 -9.526 1.00 0.00 C ATOM 674 O GLN A 49 -4.450 -8.438 -10.281 1.00 0.00 O ATOM 675 CB GLN A 49 -7.789 -8.100 -10.163 1.00 0.00 C ATOM 676 CG GLN A 49 -9.017 -8.922 -10.517 1.00 0.00 C ATOM 677 CD GLN A 49 -9.897 -8.244 -11.548 1.00 0.00 C ATOM 678 OE1 GLN A 49 -10.023 -7.019 -11.564 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.510 -9.037 -12.418 1.00 0.00 N ATOM 0 H GLN A 49 -7.712 -8.652 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.523 -9.836 -10.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.082 -7.297 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.403 -7.631 -11.068 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.702 -9.894 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.599 -9.106 -9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.378 -10.047 -12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.114 -8.636 -13.136 1.00 0.00 H new ATOM 688 N SER A 50 -5.299 -7.096 -8.687 1.00 0.00 N ATOM 689 CA SER A 50 -4.110 -6.255 -8.608 1.00 0.00 C ATOM 690 C SER A 50 -4.108 -5.439 -7.319 1.00 0.00 C ATOM 691 O SER A 50 -5.140 -5.284 -6.666 1.00 0.00 O ATOM 692 CB SER A 50 -4.038 -5.321 -9.818 1.00 0.00 C ATOM 693 OG SER A 50 -3.353 -5.935 -10.895 1.00 0.00 O ATOM 0 H SER A 50 -6.051 -6.825 -8.053 1.00 0.00 H new ATOM 0 HA SER A 50 -3.234 -6.904 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.046 -5.049 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.530 -4.398 -9.539 1.00 0.00 H new ATOM 0 HG SER A 50 -3.544 -6.896 -10.899 1.00 0.00 H new ATOM 699 N PHE A 51 -2.940 -4.916 -6.959 1.00 0.00 N ATOM 700 CA PHE A 51 -2.801 -4.116 -5.748 1.00 0.00 C ATOM 701 C PHE A 51 -2.594 -2.644 -6.091 1.00 0.00 C ATOM 702 O PHE A 51 -2.373 -2.290 -7.249 1.00 0.00 O ATOM 703 CB PHE A 51 -1.629 -4.625 -4.906 1.00 0.00 C ATOM 704 CG PHE A 51 -1.865 -5.985 -4.313 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.835 -6.173 -3.341 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.115 -7.075 -4.727 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.053 -7.423 -2.794 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.330 -8.327 -4.183 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.299 -8.501 -3.215 1.00 0.00 C ATOM 0 H PHE A 51 -2.076 -5.032 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.721 -4.211 -5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.733 -4.658 -5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.434 -3.915 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.427 -5.333 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.355 -6.944 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.812 -7.557 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.740 -9.169 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.467 -9.478 -2.788 1.00 0.00 H new ATOM 719 N ARG A 52 -2.666 -1.789 -5.075 1.00 0.00 N ATOM 720 CA ARG A 52 -2.489 -0.356 -5.268 1.00 0.00 C ATOM 721 C ARG A 52 -1.784 0.271 -4.068 1.00 0.00 C ATOM 722 O ARG A 52 -2.175 0.053 -2.921 1.00 0.00 O ATOM 723 CB ARG A 52 -3.842 0.323 -5.490 1.00 0.00 C ATOM 724 CG ARG A 52 -4.477 -0.010 -6.829 1.00 0.00 C ATOM 725 CD ARG A 52 -5.732 0.815 -7.071 1.00 0.00 C ATOM 726 NE ARG A 52 -6.080 0.879 -8.488 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.120 1.559 -8.960 1.00 0.00 C ATOM 728 NH1 ARG A 52 -7.907 2.230 -8.131 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.372 1.568 -10.262 1.00 0.00 N ATOM 0 H ARG A 52 -2.846 -2.065 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.868 -0.208 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.523 0.028 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.714 1.403 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.760 0.174 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.726 -1.071 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.563 0.383 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.581 1.825 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.493 0.374 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.715 2.225 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.705 2.751 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.768 1.053 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.170 2.090 -10.623 1.00 0.00 H new ATOM 743 N VAL A 53 -0.742 1.050 -4.340 1.00 0.00 N ATOM 744 CA VAL A 53 0.017 1.709 -3.284 1.00 0.00 C ATOM 745 C VAL A 53 -0.239 3.212 -3.279 1.00 0.00 C ATOM 746 O VAL A 53 -0.271 3.849 -4.331 1.00 0.00 O ATOM 747 CB VAL A 53 1.529 1.457 -3.438 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.299 2.123 -2.309 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.817 -0.036 -3.485 1.00 0.00 C ATOM 0 H VAL A 53 -0.404 1.240 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.320 1.283 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 53 1.860 1.897 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.365 1.934 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.116 3.197 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.969 1.716 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.890 -0.196 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.472 -0.502 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.296 -0.481 -4.333 1.00 0.00 H new ATOM 759 N GLU A 54 -0.420 3.772 -2.087 1.00 0.00 N ATOM 760 CA GLU A 54 -0.674 5.201 -1.946 1.00 0.00 C ATOM 761 C GLU A 54 0.297 5.829 -0.950 1.00 0.00 C ATOM 762 O GLU A 54 0.841 5.147 -0.082 1.00 0.00 O ATOM 763 CB GLU A 54 -2.115 5.443 -1.492 1.00 0.00 C ATOM 764 CG GLU A 54 -3.155 5.032 -2.521 1.00 0.00 C ATOM 765 CD GLU A 54 -3.588 3.587 -2.367 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.223 3.264 -1.341 1.00 0.00 O ATOM 767 OE2 GLU A 54 -3.294 2.780 -3.273 1.00 0.00 O ATOM 0 H GLU A 54 -0.395 3.259 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.524 5.669 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.293 4.893 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.242 6.501 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.027 5.680 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.750 5.181 -3.522 1.00 0.00 H new ATOM 774 N TYR A 55 0.508 7.135 -1.083 1.00 0.00 N ATOM 775 CA TYR A 55 1.415 7.855 -0.197 1.00 0.00 C ATOM 776 C TYR A 55 0.857 9.232 0.149 1.00 0.00 C ATOM 777 O TYR A 55 0.177 9.862 -0.661 1.00 0.00 O ATOM 778 CB TYR A 55 2.791 8.001 -0.851 1.00 0.00 C ATOM 779 CG TYR A 55 2.784 8.862 -2.092 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.653 10.242 -2.003 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.908 8.296 -3.355 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.645 11.034 -3.135 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.903 9.080 -4.492 1.00 0.00 C ATOM 784 CZ TYR A 55 2.772 10.448 -4.378 1.00 0.00 C ATOM 785 OH TYR A 55 2.765 11.232 -5.509 1.00 0.00 O ATOM 0 H TYR A 55 0.064 7.715 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 55 1.516 7.280 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.484 8.428 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.168 7.011 -1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.556 10.704 -1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.010 7.225 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.540 12.105 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.001 8.624 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 55 2.865 10.664 -6.301 1.00 0.00 H new ATOM 795 N LYS A 56 1.151 9.695 1.360 1.00 0.00 N ATOM 796 CA LYS A 56 0.683 10.997 1.817 1.00 0.00 C ATOM 797 C LYS A 56 1.833 11.821 2.388 1.00 0.00 C ATOM 798 O LYS A 56 2.708 11.292 3.074 1.00 0.00 O ATOM 799 CB LYS A 56 -0.411 10.828 2.874 1.00 0.00 C ATOM 800 CG LYS A 56 -0.483 11.977 3.865 1.00 0.00 C ATOM 801 CD LYS A 56 -1.539 11.730 4.929 1.00 0.00 C ATOM 802 CE LYS A 56 -0.999 10.872 6.063 1.00 0.00 C ATOM 803 NZ LYS A 56 -1.975 10.751 7.181 1.00 0.00 N ATOM 0 H LYS A 56 1.712 9.186 2.043 1.00 0.00 H new ATOM 0 HA LYS A 56 0.271 11.527 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.375 10.729 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.238 9.900 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.489 12.111 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.709 12.902 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.886 12.684 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.402 11.239 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.757 9.879 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.071 11.306 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.569 10.159 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.187 11.696 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.851 10.314 6.831 1.00 0.00 H new ATOM 817 N LYS A 57 1.826 13.117 2.100 1.00 0.00 N ATOM 818 CA LYS A 57 2.867 14.015 2.587 1.00 0.00 C ATOM 819 C LYS A 57 2.560 14.487 4.005 1.00 0.00 C ATOM 820 O LYS A 57 1.455 14.952 4.289 1.00 0.00 O ATOM 821 CB LYS A 57 3.005 15.222 1.655 1.00 0.00 C ATOM 822 CG LYS A 57 3.846 14.944 0.421 1.00 0.00 C ATOM 823 CD LYS A 57 3.690 16.041 -0.618 1.00 0.00 C ATOM 824 CE LYS A 57 2.526 15.760 -1.556 1.00 0.00 C ATOM 825 NZ LYS A 57 2.659 14.436 -2.223 1.00 0.00 N ATOM 0 H LYS A 57 1.111 13.570 1.531 1.00 0.00 H new ATOM 0 HA LYS A 57 3.808 13.465 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.012 15.545 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.449 16.049 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.895 14.858 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.554 13.987 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.533 16.997 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.610 16.130 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.592 15.792 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.471 16.544 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.191 14.466 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.666 14.211 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.213 13.704 -1.634 1.00 0.00 H new ATOM 839 N LEU A 58 3.543 14.366 4.890 1.00 0.00 N ATOM 840 CA LEU A 58 3.378 14.782 6.278 1.00 0.00 C ATOM 841 C LEU A 58 3.676 16.269 6.440 1.00 0.00 C ATOM 842 O LEU A 58 3.094 16.941 7.293 1.00 0.00 O ATOM 843 CB LEU A 58 4.296 13.964 7.187 1.00 0.00 C ATOM 844 CG LEU A 58 4.057 12.453 7.200 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.986 11.774 8.195 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.604 12.146 7.528 1.00 0.00 C ATOM 0 H LEU A 58 4.463 13.983 4.671 1.00 0.00 H new ATOM 0 HA LEU A 58 2.341 14.605 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.328 14.146 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.191 14.337 8.206 1.00 0.00 H new ATOM 0 HG LEU A 58 4.274 12.061 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.802 10.700 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.022 11.966 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.801 12.170 9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.452 11.067 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.359 12.551 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.958 12.600 6.777 1.00 0.00 H new ATOM 937 N TRP A 64 -3.908 11.989 0.390 1.00 0.00 N ATOM 938 CA TRP A 64 -3.181 10.817 -0.084 1.00 0.00 C ATOM 939 C TRP A 64 -3.100 10.804 -1.607 1.00 0.00 C ATOM 940 O TRP A 64 -3.970 11.347 -2.287 1.00 0.00 O ATOM 941 CB TRP A 64 -3.855 9.537 0.414 1.00 0.00 C ATOM 942 CG TRP A 64 -3.592 9.252 1.861 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.231 9.804 2.934 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.618 8.347 2.393 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.714 9.296 4.102 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.724 8.400 3.797 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.670 7.495 1.821 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -1.915 7.635 4.633 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.867 6.738 2.653 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.994 6.811 4.046 1.00 0.00 C ATOM 0 HA TRP A 64 -2.167 10.864 0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.931 9.616 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.506 8.695 -0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.026 10.533 2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.018 9.546 5.043 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.567 7.429 0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.011 7.690 5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.129 6.079 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.352 6.205 4.669 1.00 0.00 H new ATOM 961 N ILE A 65 -2.052 10.183 -2.135 1.00 0.00 N ATOM 962 CA ILE A 65 -1.859 10.099 -3.577 1.00 0.00 C ATOM 963 C ILE A 65 -1.582 8.665 -4.013 1.00 0.00 C ATOM 964 O ILE A 65 -1.146 7.835 -3.214 1.00 0.00 O ATOM 965 CB ILE A 65 -0.699 10.999 -4.044 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.604 12.244 -3.159 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.886 11.391 -5.502 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.720 13.238 -3.392 1.00 0.00 C ATOM 0 H ILE A 65 -1.322 9.730 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.784 10.444 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 65 0.233 10.441 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.614 11.938 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.352 12.735 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.058 12.027 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.910 10.493 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.824 11.934 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.588 14.095 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.698 13.573 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.679 12.764 -3.184 1.00 0.00 H new ATOM 980 N LEU A 66 -1.835 8.380 -5.286 1.00 0.00 N ATOM 981 CA LEU A 66 -1.611 7.045 -5.830 1.00 0.00 C ATOM 982 C LEU A 66 -0.162 6.875 -6.277 1.00 0.00 C ATOM 983 O LEU A 66 0.274 7.493 -7.247 1.00 0.00 O ATOM 984 CB LEU A 66 -2.553 6.788 -7.007 1.00 0.00 C ATOM 985 CG LEU A 66 -2.470 5.400 -7.643 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.122 4.353 -6.597 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.779 5.051 -8.336 1.00 0.00 C ATOM 0 H LEU A 66 -2.195 9.055 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.817 6.320 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.577 6.950 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.350 7.532 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.678 5.412 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.067 3.372 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.159 4.594 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.890 4.342 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.701 4.060 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.590 5.058 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.985 5.785 -9.115 1.00 0.00 H new ATOM 999 N ALA A 67 0.576 6.032 -5.564 1.00 0.00 N ATOM 1000 CA ALA A 67 1.974 5.778 -5.890 1.00 0.00 C ATOM 1001 C ALA A 67 2.098 4.907 -7.135 1.00 0.00 C ATOM 1002 O ALA A 67 2.664 5.325 -8.146 1.00 0.00 O ATOM 1003 CB ALA A 67 2.679 5.121 -4.712 1.00 0.00 C ATOM 0 H ALA A 67 0.230 5.513 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 67 2.452 6.735 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.722 4.937 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.630 5.780 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.191 4.175 -4.477 1.00 0.00 H new ATOM 1009 N THR A 68 1.565 3.691 -7.058 1.00 0.00 N ATOM 1010 CA THR A 68 1.616 2.761 -8.178 1.00 0.00 C ATOM 1011 C THR A 68 0.422 1.813 -8.162 1.00 0.00 C ATOM 1012 O THR A 68 -0.233 1.643 -7.134 1.00 0.00 O ATOM 1013 CB THR A 68 2.915 1.932 -8.160 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.134 1.337 -9.443 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.850 0.847 -7.096 1.00 0.00 C ATOM 0 H THR A 68 1.093 3.328 -6.230 1.00 0.00 H new ATOM 0 HA THR A 68 1.588 3.361 -9.088 1.00 0.00 H new ATOM 0 HB THR A 68 3.743 2.600 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.962 0.813 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.778 0.275 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.713 1.306 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.012 0.182 -7.305 1.00 0.00 H new ATOM 1023 N SER A 69 0.146 1.197 -9.306 1.00 0.00 N ATOM 1024 CA SER A 69 -0.972 0.269 -9.424 1.00 0.00 C ATOM 1025 C SER A 69 -0.705 -0.768 -10.512 1.00 0.00 C ATOM 1026 O SER A 69 0.345 -0.754 -11.153 1.00 0.00 O ATOM 1027 CB SER A 69 -2.263 1.028 -9.733 1.00 0.00 C ATOM 1028 OG SER A 69 -2.469 2.083 -8.808 1.00 0.00 O ATOM 0 H SER A 69 0.681 1.324 -10.165 1.00 0.00 H new ATOM 0 HA SER A 69 -1.083 -0.249 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.218 1.431 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.109 0.341 -9.700 1.00 0.00 H new ATOM 0 HG SER A 69 -1.882 2.835 -9.033 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.665 -1.664 -10.714 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.537 -2.706 -11.725 1.00 0.00 C ATOM 1036 C ALA A 70 -0.515 -3.757 -11.303 1.00 0.00 C ATOM 1037 O ALA A 70 0.077 -4.435 -12.144 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.147 -2.098 -13.064 1.00 0.00 C ATOM 0 H ALA A 70 -2.540 -1.689 -10.191 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.505 -3.197 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.055 -2.888 -13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.913 -1.389 -13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.193 -1.580 -12.964 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.313 -3.888 -9.996 1.00 0.00 N ATOM 1045 CA ILE A 71 0.637 -4.857 -9.463 1.00 0.00 C ATOM 1046 C ILE A 71 0.021 -6.251 -9.397 1.00 0.00 C ATOM 1047 O ILE A 71 -1.133 -6.428 -9.009 1.00 0.00 O ATOM 1048 CB ILE A 71 1.122 -4.455 -8.057 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.758 -3.064 -8.092 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.110 -5.482 -7.525 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.157 -2.548 -6.728 1.00 0.00 C ATOM 0 H ILE A 71 -0.795 -3.335 -9.287 1.00 0.00 H new ATOM 0 HA ILE A 71 1.489 -4.871 -10.142 1.00 0.00 H new ATOM 0 HB ILE A 71 0.263 -4.424 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.639 -3.092 -8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.056 -2.364 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.444 -5.185 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.626 -6.457 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.969 -5.541 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.601 -1.558 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.275 -2.487 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.883 -3.227 -6.280 1.00 0.00 H new ATOM 1063 N PRO A 72 0.811 -7.264 -9.782 1.00 0.00 N ATOM 1064 CA PRO A 72 0.365 -8.662 -9.774 1.00 0.00 C ATOM 1065 C PRO A 72 0.190 -9.205 -8.360 1.00 0.00 C ATOM 1066 O PRO A 72 0.791 -8.717 -7.403 1.00 0.00 O ATOM 1067 CB PRO A 72 1.496 -9.398 -10.495 1.00 0.00 C ATOM 1068 CG PRO A 72 2.698 -8.544 -10.288 1.00 0.00 C ATOM 1069 CD PRO A 72 2.197 -7.126 -10.256 1.00 0.00 C ATOM 0 HA PRO A 72 -0.610 -8.783 -10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.644 -10.396 -10.083 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.276 -9.520 -11.555 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.204 -8.801 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.420 -8.685 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.791 -6.505 -9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.240 -6.662 -11.242 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.651 -10.241 -8.223 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.923 -10.874 -6.930 1.00 0.00 C ATOM 1079 C PRO A 73 0.277 -11.653 -6.401 1.00 0.00 C ATOM 1080 O PRO A 73 0.308 -12.050 -5.237 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.084 -11.824 -7.237 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.956 -12.122 -8.690 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.401 -10.873 -9.321 1.00 0.00 C ATOM 0 HA PRO A 73 -1.148 -10.140 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.020 -12.733 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.045 -11.361 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.294 -12.971 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.923 -12.381 -9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.755 -11.104 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.194 -10.224 -9.692 1.00 0.00 H new ATOM 1091 N SER A 74 1.264 -11.869 -7.266 1.00 0.00 N ATOM 1092 CA SER A 74 2.465 -12.604 -6.888 1.00 0.00 C ATOM 1093 C SER A 74 3.553 -11.651 -6.401 1.00 0.00 C ATOM 1094 O SER A 74 4.511 -12.067 -5.747 1.00 0.00 O ATOM 1095 CB SER A 74 2.981 -13.424 -8.071 1.00 0.00 C ATOM 1096 OG SER A 74 4.190 -14.086 -7.743 1.00 0.00 O ATOM 0 H SER A 74 1.255 -11.545 -8.233 1.00 0.00 H new ATOM 0 HA SER A 74 2.206 -13.280 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.230 -14.157 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.142 -12.770 -8.928 1.00 0.00 H new ATOM 0 HG SER A 74 4.499 -14.605 -8.515 1.00 0.00 H new ATOM 1102 N ARG A 75 3.398 -10.371 -6.724 1.00 0.00 N ATOM 1103 CA ARG A 75 4.368 -9.360 -6.321 1.00 0.00 C ATOM 1104 C ARG A 75 3.919 -8.655 -5.043 1.00 0.00 C ATOM 1105 O ARG A 75 3.113 -7.727 -5.084 1.00 0.00 O ATOM 1106 CB ARG A 75 4.561 -8.334 -7.440 1.00 0.00 C ATOM 1107 CG ARG A 75 5.579 -7.255 -7.109 1.00 0.00 C ATOM 1108 CD ARG A 75 6.192 -6.662 -8.367 1.00 0.00 C ATOM 1109 NE ARG A 75 7.552 -6.184 -8.140 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.595 -6.987 -7.966 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.433 -8.304 -7.993 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.803 -6.476 -7.764 1.00 0.00 N ATOM 0 H ARG A 75 2.611 -10.010 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 75 5.317 -9.860 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.875 -8.852 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.603 -7.863 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.099 -6.466 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.366 -7.676 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.199 -7.414 -9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.572 -5.837 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 75 7.710 -5.177 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.506 -8.701 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.235 -8.919 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.932 -5.464 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.603 -7.095 -7.631 1.00 0.00 H new ATOM 1126 N LEU A 76 4.449 -9.104 -3.910 1.00 0.00 N ATOM 1127 CA LEU A 76 4.104 -8.519 -2.620 1.00 0.00 C ATOM 1128 C LEU A 76 5.107 -7.440 -2.226 1.00 0.00 C ATOM 1129 O LEU A 76 5.142 -7.000 -1.077 1.00 0.00 O ATOM 1130 CB LEU A 76 4.054 -9.603 -1.542 1.00 0.00 C ATOM 1131 CG LEU A 76 3.197 -10.828 -1.863 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.182 -11.790 -0.685 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.782 -10.409 -2.229 1.00 0.00 C ATOM 0 H LEU A 76 5.119 -9.871 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 76 3.120 -8.059 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.072 -9.938 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.681 -9.155 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 76 3.635 -11.340 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.568 -12.656 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.199 -12.116 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.768 -11.288 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.187 -11.294 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.333 -9.873 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.810 -9.759 -3.103 1.00 0.00 H new ATOM 1145 N SER A 77 5.922 -7.016 -3.188 1.00 0.00 N ATOM 1146 CA SER A 77 6.928 -5.989 -2.941 1.00 0.00 C ATOM 1147 C SER A 77 7.269 -5.244 -4.228 1.00 0.00 C ATOM 1148 O SER A 77 7.538 -5.857 -5.260 1.00 0.00 O ATOM 1149 CB SER A 77 8.191 -6.616 -2.349 1.00 0.00 C ATOM 1150 OG SER A 77 9.336 -5.838 -2.652 1.00 0.00 O ATOM 0 H SER A 77 5.905 -7.368 -4.145 1.00 0.00 H new ATOM 0 HA SER A 77 6.518 -5.275 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.084 -6.706 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.318 -7.625 -2.742 1.00 0.00 H new ATOM 0 HG SER A 77 10.130 -6.259 -2.261 1.00 0.00 H new ATOM 1156 N VAL A 78 7.258 -3.917 -4.156 1.00 0.00 N ATOM 1157 CA VAL A 78 7.568 -3.086 -5.314 1.00 0.00 C ATOM 1158 C VAL A 78 8.301 -1.816 -4.898 1.00 0.00 C ATOM 1159 O VAL A 78 8.252 -1.411 -3.737 1.00 0.00 O ATOM 1160 CB VAL A 78 6.291 -2.699 -6.085 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.361 -3.895 -6.212 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.588 -1.536 -5.401 1.00 0.00 C ATOM 0 H VAL A 78 7.038 -3.394 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 78 8.212 -3.677 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 78 6.575 -2.382 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.465 -3.603 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.869 -4.696 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.081 -4.246 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.688 -1.276 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.315 -1.822 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.256 -0.675 -5.368 1.00 0.00 H new ATOM 1172 N GLU A 79 8.982 -1.192 -5.855 1.00 0.00 N ATOM 1173 CA GLU A 79 9.726 0.033 -5.587 1.00 0.00 C ATOM 1174 C GLU A 79 8.906 1.262 -5.965 1.00 0.00 C ATOM 1175 O GLU A 79 8.584 1.470 -7.135 1.00 0.00 O ATOM 1176 CB GLU A 79 11.048 0.031 -6.358 1.00 0.00 C ATOM 1177 CG GLU A 79 11.916 1.247 -6.081 1.00 0.00 C ATOM 1178 CD GLU A 79 13.020 1.422 -7.106 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.093 0.807 -6.933 1.00 0.00 O ATOM 1180 OE2 GLU A 79 12.810 2.173 -8.082 1.00 0.00 O ATOM 0 H GLU A 79 9.034 -1.515 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 79 9.936 0.074 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.607 -0.869 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.836 -0.018 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.291 2.140 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.358 1.155 -5.089 1.00 0.00 H new ATOM 1187 N ILE A 80 8.572 2.073 -4.967 1.00 0.00 N ATOM 1188 CA ILE A 80 7.790 3.281 -5.195 1.00 0.00 C ATOM 1189 C ILE A 80 8.681 4.438 -5.633 1.00 0.00 C ATOM 1190 O ILE A 80 9.404 5.022 -4.824 1.00 0.00 O ATOM 1191 CB ILE A 80 7.014 3.696 -3.931 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.156 2.533 -3.428 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.148 4.914 -4.216 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.981 2.215 -4.326 1.00 0.00 C ATOM 0 H ILE A 80 8.831 1.915 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 80 7.079 3.052 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 80 7.731 3.958 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.781 1.645 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.786 2.770 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.606 5.195 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.780 5.744 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.437 4.677 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.418 1.381 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.333 3.088 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.344 1.946 -5.318 1.00 0.00 H new ATOM 1206 N THR A 81 8.623 4.768 -6.920 1.00 0.00 N ATOM 1207 CA THR A 81 9.424 5.857 -7.466 1.00 0.00 C ATOM 1208 C THR A 81 8.580 7.109 -7.677 1.00 0.00 C ATOM 1209 O THR A 81 7.357 7.074 -7.545 1.00 0.00 O ATOM 1210 CB THR A 81 10.073 5.459 -8.805 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.061 5.232 -9.793 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.921 4.206 -8.643 1.00 0.00 C ATOM 0 H THR A 81 8.030 4.297 -7.603 1.00 0.00 H new ATOM 0 HA THR A 81 10.207 6.069 -6.738 1.00 0.00 H new ATOM 0 HB THR A 81 10.718 6.276 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.483 4.981 -10.641 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.369 3.944 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.708 4.392 -7.913 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.293 3.384 -8.299 1.00 0.00 H new ATOM 1220 N GLY A 82 9.242 8.215 -8.004 1.00 0.00 N ATOM 1221 CA GLY A 82 8.536 9.463 -8.227 1.00 0.00 C ATOM 1222 C GLY A 82 8.243 10.202 -6.937 1.00 0.00 C ATOM 1223 O GLY A 82 7.174 10.795 -6.781 1.00 0.00 O ATOM 0 H GLY A 82 10.254 8.269 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.130 10.101 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.599 9.259 -8.746 1.00 0.00 H new ATOM 1227 N LEU A 83 9.191 10.165 -6.007 1.00 0.00 N ATOM 1228 CA LEU A 83 9.028 10.836 -4.721 1.00 0.00 C ATOM 1229 C LEU A 83 9.868 12.108 -4.661 1.00 0.00 C ATOM 1230 O LEU A 83 10.615 12.414 -5.589 1.00 0.00 O ATOM 1231 CB LEU A 83 9.422 9.896 -3.581 1.00 0.00 C ATOM 1232 CG LEU A 83 8.812 8.495 -3.625 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.516 7.576 -2.637 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.320 8.553 -3.332 1.00 0.00 C ATOM 0 H LEU A 83 10.080 9.678 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 83 7.979 11.110 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.508 9.798 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.140 10.364 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 83 8.949 8.091 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.069 6.583 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.574 7.510 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.410 7.976 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.903 7.547 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.160 8.977 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.827 9.177 -4.077 1.00 0.00 H new ATOM 1246 N GLU A 84 9.740 12.843 -3.561 1.00 0.00 N ATOM 1247 CA GLU A 84 10.488 14.082 -3.379 1.00 0.00 C ATOM 1248 C GLU A 84 11.377 14.004 -2.141 1.00 0.00 C ATOM 1249 O GLU A 84 10.952 13.533 -1.086 1.00 0.00 O ATOM 1250 CB GLU A 84 9.530 15.270 -3.260 1.00 0.00 C ATOM 1251 CG GLU A 84 8.821 15.613 -4.558 1.00 0.00 C ATOM 1252 CD GLU A 84 7.453 16.228 -4.331 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.650 15.629 -3.584 1.00 0.00 O ATOM 1254 OE2 GLU A 84 7.186 17.307 -4.900 1.00 0.00 O ATOM 0 H GLU A 84 9.126 12.602 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 84 11.124 14.224 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.784 15.049 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.087 16.142 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.436 16.306 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.714 14.710 -5.159 1.00 0.00 H new ATOM 1261 N LYS A 85 12.614 14.468 -2.279 1.00 0.00 N ATOM 1262 CA LYS A 85 13.564 14.452 -1.173 1.00 0.00 C ATOM 1263 C LYS A 85 13.206 15.508 -0.133 1.00 0.00 C ATOM 1264 O LYS A 85 12.633 16.546 -0.460 1.00 0.00 O ATOM 1265 CB LYS A 85 14.984 14.691 -1.691 1.00 0.00 C ATOM 1266 CG LYS A 85 15.706 13.419 -2.097 1.00 0.00 C ATOM 1267 CD LYS A 85 16.675 13.668 -3.241 1.00 0.00 C ATOM 1268 CE LYS A 85 15.985 13.547 -4.591 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.193 14.765 -4.920 1.00 0.00 N ATOM 0 H LYS A 85 12.982 14.860 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 85 13.517 13.471 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.941 15.363 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.563 15.197 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.248 13.018 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.977 12.665 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.110 14.662 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.497 12.954 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.732 13.379 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.328 12.677 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.181 14.904 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.219 14.649 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.625 15.594 -4.464 1.00 0.00 H new ATOM 1283 N GLY A 86 13.550 15.237 1.122 1.00 0.00 N ATOM 1284 CA GLY A 86 13.258 16.175 2.191 1.00 0.00 C ATOM 1285 C GLY A 86 11.778 16.247 2.510 1.00 0.00 C ATOM 1286 O GLY A 86 11.338 17.130 3.248 1.00 0.00 O ATOM 0 H GLY A 86 14.026 14.385 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.806 15.882 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.614 17.166 1.909 1.00 0.00 H new ATOM 1290 N ILE A 87 11.008 15.319 1.952 1.00 0.00 N ATOM 1291 CA ILE A 87 9.569 15.283 2.182 1.00 0.00 C ATOM 1292 C ILE A 87 9.144 13.953 2.793 1.00 0.00 C ATOM 1293 O ILE A 87 9.067 12.937 2.103 1.00 0.00 O ATOM 1294 CB ILE A 87 8.785 15.508 0.875 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.076 16.901 0.314 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.294 15.327 1.115 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.489 18.021 1.144 1.00 0.00 C ATOM 0 H ILE A 87 11.356 14.583 1.338 1.00 0.00 H new ATOM 0 HA ILE A 87 9.340 16.090 2.878 1.00 0.00 H new ATOM 0 HB ILE A 87 9.107 14.768 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.155 17.038 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.681 16.965 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.753 15.489 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.103 14.316 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.956 16.046 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.735 18.980 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.406 17.909 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.903 17.983 2.152 1.00 0.00 H new ATOM 1309 N SER A 88 8.867 13.967 4.094 1.00 0.00 N ATOM 1310 CA SER A 88 8.450 12.762 4.800 1.00 0.00 C ATOM 1311 C SER A 88 7.048 12.340 4.374 1.00 0.00 C ATOM 1312 O SER A 88 6.174 13.180 4.157 1.00 0.00 O ATOM 1313 CB SER A 88 8.489 12.992 6.312 1.00 0.00 C ATOM 1314 OG SER A 88 9.466 13.959 6.655 1.00 0.00 O ATOM 0 H SER A 88 8.924 14.800 4.680 1.00 0.00 H new ATOM 0 HA SER A 88 9.144 11.962 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.509 13.321 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.708 12.053 6.820 1.00 0.00 H new ATOM 0 HG SER A 88 9.470 14.089 7.626 1.00 0.00 H new ATOM 1320 N TYR A 89 6.840 11.033 4.259 1.00 0.00 N ATOM 1321 CA TYR A 89 5.544 10.498 3.857 1.00 0.00 C ATOM 1322 C TYR A 89 5.439 9.013 4.194 1.00 0.00 C ATOM 1323 O TYR A 89 6.445 8.347 4.439 1.00 0.00 O ATOM 1324 CB TYR A 89 5.324 10.709 2.358 1.00 0.00 C ATOM 1325 CG TYR A 89 6.605 10.725 1.555 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.532 9.696 1.669 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.887 11.769 0.682 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.705 9.708 0.938 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.056 11.787 -0.054 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.962 10.754 0.077 1.00 0.00 C ATOM 1331 OH TYR A 89 10.127 10.770 -0.654 1.00 0.00 O ATOM 0 H TYR A 89 7.552 10.325 4.438 1.00 0.00 H new ATOM 0 HA TYR A 89 4.772 11.033 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.677 9.918 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.798 11.651 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.333 8.873 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.181 12.579 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.417 8.902 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.260 12.605 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 89 10.399 11.698 -0.816 1.00 0.00 H new ATOM 1341 N LYS A 90 4.213 8.501 4.203 1.00 0.00 N ATOM 1342 CA LYS A 90 3.974 7.095 4.509 1.00 0.00 C ATOM 1343 C LYS A 90 3.478 6.348 3.274 1.00 0.00 C ATOM 1344 O LYS A 90 3.143 6.960 2.259 1.00 0.00 O ATOM 1345 CB LYS A 90 2.954 6.964 5.641 1.00 0.00 C ATOM 1346 CG LYS A 90 3.447 7.510 6.970 1.00 0.00 C ATOM 1347 CD LYS A 90 2.386 7.391 8.051 1.00 0.00 C ATOM 1348 CE LYS A 90 2.794 8.128 9.317 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.613 8.634 10.070 1.00 0.00 N ATOM 0 H LYS A 90 3.370 9.038 4.002 1.00 0.00 H new ATOM 0 HA LYS A 90 4.918 6.652 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.041 7.488 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.693 5.913 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.342 6.969 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.731 8.556 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.443 7.794 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.215 6.339 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.373 7.460 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.444 8.963 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.934 9.130 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.074 9.291 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.005 7.835 10.340 1.00 0.00 H new ATOM 1363 N PHE A 91 3.430 5.024 3.369 1.00 0.00 N ATOM 1364 CA PHE A 91 2.974 4.194 2.260 1.00 0.00 C ATOM 1365 C PHE A 91 1.911 3.201 2.725 1.00 0.00 C ATOM 1366 O PHE A 91 1.870 2.823 3.896 1.00 0.00 O ATOM 1367 CB PHE A 91 4.153 3.441 1.640 1.00 0.00 C ATOM 1368 CG PHE A 91 5.252 4.344 1.154 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.143 4.916 2.048 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.392 4.621 -0.196 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.153 5.747 1.604 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.402 5.451 -0.646 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.284 6.014 0.255 1.00 0.00 C ATOM 0 H PHE A 91 3.701 4.502 4.202 1.00 0.00 H new ATOM 0 HA PHE A 91 2.533 4.848 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.561 2.750 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.792 2.840 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.047 4.710 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.705 4.184 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.840 6.188 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.501 5.659 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.075 6.662 -0.094 1.00 0.00 H new ATOM 1383 N ARG A 92 1.055 2.785 1.799 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.009 1.839 2.113 1.00 0.00 C ATOM 1385 C ARG A 92 -0.247 0.882 0.949 1.00 0.00 C ATOM 1386 O ARG A 92 0.431 0.955 -0.077 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.302 2.586 2.446 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.920 3.296 1.253 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.364 3.689 1.524 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.487 4.540 2.705 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.551 5.292 2.961 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.579 5.299 2.124 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.588 6.039 4.057 1.00 0.00 N ATOM 0 H ARG A 92 1.077 3.088 0.825 1.00 0.00 H new ATOM 0 HA ARG A 92 0.301 1.257 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.026 1.879 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.098 3.318 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.338 4.187 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.877 2.646 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.766 4.212 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.965 2.790 1.661 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.713 4.557 3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.554 4.726 1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.395 5.878 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.799 6.036 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.406 6.617 4.253 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.214 -0.015 1.115 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.541 -0.987 0.078 1.00 0.00 C ATOM 1409 C VAL A 93 -3.037 -1.278 0.051 1.00 0.00 C ATOM 1410 O VAL A 93 -3.694 -1.302 1.091 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.776 -2.308 0.285 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.175 -3.326 -0.773 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.725 -2.063 0.261 1.00 0.00 C ATOM 0 H VAL A 93 -1.784 -0.089 1.957 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.241 -0.548 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.040 -2.712 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.625 -4.253 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.245 -3.522 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.941 -2.933 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.250 -3.007 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.009 -1.637 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.993 -1.370 1.058 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.570 -1.498 -1.147 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.990 -1.786 -1.310 1.00 0.00 C ATOM 1425 C ARG A 94 -5.200 -2.955 -2.269 1.00 0.00 C ATOM 1426 O ARG A 94 -4.524 -3.061 -3.292 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.728 -0.550 -1.827 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.132 0.421 -0.728 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.416 1.156 -1.080 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.879 2.002 0.016 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.728 3.011 -0.143 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.204 3.299 -1.347 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.103 3.736 0.903 1.00 0.00 N ATOM 0 H ARG A 94 -3.040 -1.482 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.394 -2.060 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.092 -0.031 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.621 -0.869 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.267 -0.122 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.331 1.142 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.252 1.769 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.191 0.432 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.532 1.808 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.918 2.745 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.856 4.075 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.739 3.519 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.755 4.511 0.779 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.141 -3.830 -1.930 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.441 -4.989 -2.761 1.00 0.00 C ATOM 1449 C ALA A 95 -7.676 -4.742 -3.623 1.00 0.00 C ATOM 1450 O ALA A 95 -8.702 -4.270 -3.133 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.640 -6.223 -1.893 1.00 0.00 C ATOM 0 H ALA A 95 -6.709 -3.758 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.594 -5.158 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.863 -7.081 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.731 -6.418 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.469 -6.054 -1.205 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.568 -5.064 -4.907 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.675 -4.876 -5.838 1.00 0.00 C ATOM 1459 C LEU A 96 -8.990 -6.172 -6.579 1.00 0.00 C ATOM 1460 O LEU A 96 -8.142 -6.714 -7.287 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.344 -3.770 -6.841 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.620 -2.339 -6.377 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.539 -1.872 -5.414 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.714 -1.400 -7.571 1.00 0.00 C ATOM 0 H LEU A 96 -6.725 -5.456 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.554 -4.584 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.289 -3.849 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.913 -3.951 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.576 -2.326 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.752 -0.852 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.519 -2.528 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.570 -1.901 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.911 -0.386 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.774 -1.418 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.525 -1.722 -8.225 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.214 -6.661 -6.412 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.641 -7.892 -7.066 1.00 0.00 C ATOM 1478 C ASN A 97 -11.890 -7.655 -7.910 1.00 0.00 C ATOM 1479 O ASN A 97 -12.342 -6.521 -8.063 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.914 -8.979 -6.025 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.196 -8.732 -5.253 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.746 -7.631 -5.279 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.676 -9.757 -4.560 1.00 0.00 N ATOM 0 H ASN A 97 -10.928 -6.224 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.837 -8.222 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.973 -9.947 -6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.077 -9.029 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.535 -9.650 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.186 -10.652 -4.568 1.00 0.00 H new ATOM 1490 N MET A 98 -12.443 -8.734 -8.454 1.00 0.00 N ATOM 1491 CA MET A 98 -13.641 -8.644 -9.282 1.00 0.00 C ATOM 1492 C MET A 98 -14.854 -8.257 -8.440 1.00 0.00 C ATOM 1493 O MET A 98 -15.962 -8.117 -8.959 1.00 0.00 O ATOM 1494 CB MET A 98 -13.900 -9.975 -9.989 1.00 0.00 C ATOM 1495 CG MET A 98 -14.790 -10.921 -9.197 1.00 0.00 C ATOM 1496 SD MET A 98 -15.060 -12.491 -10.041 1.00 0.00 S ATOM 1497 CE MET A 98 -13.624 -13.416 -9.502 1.00 0.00 C ATOM 0 H MET A 98 -12.081 -9.680 -8.337 1.00 0.00 H new ATOM 0 HA MET A 98 -13.478 -7.870 -10.032 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.362 -9.779 -10.957 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.946 -10.465 -10.185 1.00 0.00 H new ATOM 0 HG2 MET A 98 -14.338 -11.110 -8.223 1.00 0.00 H new ATOM 0 HG3 MET A 98 -15.752 -10.441 -9.014 1.00 0.00 H new ATOM 0 HE1 MET A 98 -13.901 -14.458 -9.343 1.00 0.00 H new ATOM 0 HE2 MET A 98 -12.847 -13.359 -10.265 1.00 0.00 H new ATOM 0 HE3 MET A 98 -13.248 -12.994 -8.570 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.636 -8.085 -7.142 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.712 -7.713 -6.229 1.00 0.00 C ATOM 1509 C LEU A 99 -15.582 -6.257 -5.797 1.00 0.00 C ATOM 1510 O LEU A 99 -16.568 -5.612 -5.441 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.702 -8.624 -5.000 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.585 -10.124 -5.277 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.684 -10.915 -3.982 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.659 -10.569 -6.259 1.00 0.00 C ATOM 0 H LEU A 99 -13.725 -8.197 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.659 -7.833 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.872 -8.327 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.618 -8.449 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.609 -10.317 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.599 -11.980 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.879 -10.616 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.645 -10.717 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.561 -11.639 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.644 -10.362 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.542 -10.026 -7.197 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.356 -5.742 -5.833 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.119 -4.363 -5.444 1.00 0.00 C ATOM 1528 C GLY A 100 -12.752 -4.164 -4.820 1.00 0.00 C ATOM 1529 O GLY A 100 -11.886 -5.032 -4.917 1.00 0.00 O ATOM 0 H GLY A 100 -13.524 -6.254 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.212 -3.720 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.887 -4.051 -4.736 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.558 -3.016 -4.178 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.285 -2.705 -3.537 1.00 0.00 C ATOM 1535 C GLU A 101 -11.371 -2.912 -2.028 1.00 0.00 C ATOM 1536 O GLU A 101 -12.457 -2.896 -1.449 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.874 -1.263 -3.843 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.795 -0.224 -3.228 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.950 0.146 -4.139 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.899 -0.658 -4.250 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -12.903 1.239 -4.741 1.00 0.00 O ATOM 0 H GLU A 101 -13.265 -2.287 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.531 -3.383 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.860 -1.098 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.852 -1.122 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.188 -0.605 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.220 0.672 -2.994 1.00 0.00 H new ATOM 1548 N SER A 102 -10.217 -3.106 -1.397 1.00 0.00 N ATOM 1549 CA SER A 102 -10.161 -3.321 0.045 1.00 0.00 C ATOM 1550 C SER A 102 -9.909 -2.008 0.779 1.00 0.00 C ATOM 1551 O SER A 102 -9.692 -0.969 0.158 1.00 0.00 O ATOM 1552 CB SER A 102 -9.065 -4.331 0.388 1.00 0.00 C ATOM 1553 OG SER A 102 -7.814 -3.686 0.559 1.00 0.00 O ATOM 0 H SER A 102 -9.309 -3.119 -1.861 1.00 0.00 H new ATOM 0 HA SER A 102 -11.124 -3.718 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.330 -4.865 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.989 -5.074 -0.406 1.00 0.00 H new ATOM 0 HG SER A 102 -7.753 -3.327 1.469 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.940 -2.065 2.108 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.716 -0.881 2.928 1.00 0.00 C ATOM 1561 C GLU A 103 -8.253 -0.451 2.874 1.00 0.00 C ATOM 1562 O GLU A 103 -7.365 -1.227 2.520 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.127 -1.152 4.376 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.586 -0.840 4.664 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.915 -0.902 6.143 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.649 -1.951 6.766 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.439 0.098 6.677 1.00 0.00 O ATOM 0 H GLU A 103 -10.118 -2.918 2.638 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.329 -0.072 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.936 -2.199 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.499 -0.558 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.823 0.154 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.218 -1.546 4.125 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.995 0.815 3.233 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.641 1.377 3.235 1.00 0.00 C ATOM 1576 C PRO A 104 -5.769 0.784 4.335 1.00 0.00 C ATOM 1577 O PRO A 104 -5.984 1.043 5.519 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.877 2.870 3.486 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.181 2.930 4.205 1.00 0.00 C ATOM 1580 CD PRO A 104 -9.005 1.795 3.667 1.00 0.00 C ATOM 0 HA PRO A 104 -6.110 1.165 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.075 3.303 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.914 3.428 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.038 2.832 5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.676 3.886 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.665 1.381 4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.637 2.115 2.838 1.00 0.00 H new ATOM 1588 N SER A 105 -4.781 -0.012 3.936 1.00 0.00 N ATOM 1589 CA SER A 105 -3.878 -0.645 4.890 1.00 0.00 C ATOM 1590 C SER A 105 -3.259 0.391 5.823 1.00 0.00 C ATOM 1591 O SER A 105 -3.103 1.556 5.458 1.00 0.00 O ATOM 1592 CB SER A 105 -2.775 -1.406 4.151 1.00 0.00 C ATOM 1593 OG SER A 105 -1.761 -0.523 3.700 1.00 0.00 O ATOM 0 H SER A 105 -4.586 -0.233 2.960 1.00 0.00 H new ATOM 0 HA SER A 105 -4.457 -1.348 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.341 -2.156 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.202 -1.938 3.301 1.00 0.00 H new ATOM 0 HG SER A 105 -1.074 -0.433 4.393 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.909 -0.041 7.029 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.306 0.847 8.015 1.00 0.00 C ATOM 1601 C ALA A 106 -1.179 1.668 7.397 1.00 0.00 C ATOM 1602 O ALA A 106 -0.383 1.173 6.600 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.789 0.046 9.202 1.00 0.00 C ATOM 0 H ALA A 106 -3.033 -1.002 7.348 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.074 1.537 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.341 0.722 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.616 -0.491 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.039 -0.667 8.861 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.109 2.954 7.772 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.083 3.871 7.266 1.00 0.00 C ATOM 1611 C PRO A 107 1.306 3.538 7.799 1.00 0.00 C ATOM 1612 O PRO A 107 1.645 3.884 8.931 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.542 5.237 7.784 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.355 4.929 8.994 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.025 3.612 8.719 1.00 0.00 C ATOM 0 HA PRO A 107 0.010 3.820 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.308 5.873 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.131 5.767 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.726 4.869 9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.092 5.711 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.150 3.027 9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.017 3.748 8.289 1.00 0.00 H new ATOM 1623 N SER A 108 2.105 2.866 6.977 1.00 0.00 N ATOM 1624 CA SER A 108 3.457 2.483 7.368 1.00 0.00 C ATOM 1625 C SER A 108 4.186 3.654 8.020 1.00 0.00 C ATOM 1626 O SER A 108 3.765 4.806 7.900 1.00 0.00 O ATOM 1627 CB SER A 108 4.243 1.993 6.151 1.00 0.00 C ATOM 1628 OG SER A 108 4.803 3.078 5.433 1.00 0.00 O ATOM 0 H SER A 108 1.840 2.575 6.036 1.00 0.00 H new ATOM 0 HA SER A 108 3.383 1.673 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.036 1.319 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.586 1.421 5.496 1.00 0.00 H new ATOM 0 HG SER A 108 5.749 3.174 5.670 1.00 0.00 H new ATOM 1634 N ARG A 109 5.281 3.352 8.709 1.00 0.00 N ATOM 1635 CA ARG A 109 6.069 4.378 9.380 1.00 0.00 C ATOM 1636 C ARG A 109 6.527 5.447 8.392 1.00 0.00 C ATOM 1637 O ARG A 109 6.694 5.192 7.199 1.00 0.00 O ATOM 1638 CB ARG A 109 7.282 3.751 10.069 1.00 0.00 C ATOM 1639 CG ARG A 109 8.246 3.074 9.107 1.00 0.00 C ATOM 1640 CD ARG A 109 9.543 2.685 9.799 1.00 0.00 C ATOM 1641 NE ARG A 109 10.490 3.795 9.852 1.00 0.00 N ATOM 1642 CZ ARG A 109 11.628 3.757 10.534 1.00 0.00 C ATOM 1643 NH1 ARG A 109 11.960 2.671 11.218 1.00 0.00 N ATOM 1644 NH2 ARG A 109 12.439 4.809 10.533 1.00 0.00 N ATOM 0 H ARG A 109 5.643 2.404 8.817 1.00 0.00 H new ATOM 0 HA ARG A 109 5.437 4.851 10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.816 4.525 10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.937 3.019 10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.777 2.185 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.463 3.745 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.326 2.345 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.997 1.846 9.272 1.00 0.00 H new ATOM 0 HE ARG A 109 10.265 4.646 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.340 1.861 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.835 2.645 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.187 5.646 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.313 4.779 11.057 1.00 0.00 H new ATOM 1658 N PRO A 110 6.735 6.671 8.898 1.00 0.00 N ATOM 1659 CA PRO A 110 7.177 7.802 8.076 1.00 0.00 C ATOM 1660 C PRO A 110 8.618 7.647 7.601 1.00 0.00 C ATOM 1661 O PRO A 110 9.534 7.491 8.409 1.00 0.00 O ATOM 1662 CB PRO A 110 7.052 8.998 9.023 1.00 0.00 C ATOM 1663 CG PRO A 110 7.174 8.416 10.388 1.00 0.00 C ATOM 1664 CD PRO A 110 6.556 7.046 10.310 1.00 0.00 C ATOM 0 HA PRO A 110 6.587 7.898 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.833 9.734 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.097 9.507 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.218 8.356 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.660 9.035 11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.052 6.343 10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.503 7.064 10.591 1.00 0.00 H new ATOM 1672 N TYR A 111 8.811 7.689 6.288 1.00 0.00 N ATOM 1673 CA TYR A 111 10.141 7.550 5.705 1.00 0.00 C ATOM 1674 C TYR A 111 10.585 8.852 5.046 1.00 0.00 C ATOM 1675 O TYR A 111 9.967 9.319 4.089 1.00 0.00 O ATOM 1676 CB TYR A 111 10.156 6.415 4.682 1.00 0.00 C ATOM 1677 CG TYR A 111 11.539 6.077 4.171 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.085 6.753 3.087 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.300 5.084 4.775 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.348 6.448 2.618 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.565 4.774 4.314 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.084 5.458 3.234 1.00 0.00 C ATOM 1683 OH TYR A 111 15.343 5.152 2.770 1.00 0.00 O ATOM 0 H TYR A 111 8.063 7.818 5.606 1.00 0.00 H new ATOM 0 HA TYR A 111 10.840 7.314 6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.717 5.525 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.523 6.690 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.512 7.530 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.896 4.545 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.757 6.982 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 111 14.144 4.001 4.796 1.00 0.00 H new ATOM 0 HH TYR A 111 15.751 5.953 2.379 1.00 0.00 H new ATOM 1693 N VAL A 112 11.661 9.433 5.565 1.00 0.00 N ATOM 1694 CA VAL A 112 12.191 10.680 5.026 1.00 0.00 C ATOM 1695 C VAL A 112 13.250 10.414 3.962 1.00 0.00 C ATOM 1696 O VAL A 112 14.396 10.094 4.277 1.00 0.00 O ATOM 1697 CB VAL A 112 12.804 11.556 6.136 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.278 12.884 5.567 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.800 11.773 7.258 1.00 0.00 C ATOM 0 H VAL A 112 12.183 9.061 6.358 1.00 0.00 H new ATOM 0 HA VAL A 112 11.352 11.211 4.575 1.00 0.00 H new ATOM 0 HB VAL A 112 13.669 11.037 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.708 13.489 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.033 12.703 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.433 13.413 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.249 12.394 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.914 12.271 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.516 10.810 7.683 1.00 0.00 H new ATOM 1709 N VAL A 113 12.858 10.548 2.698 1.00 0.00 N ATOM 1710 CA VAL A 113 13.773 10.323 1.586 1.00 0.00 C ATOM 1711 C VAL A 113 14.854 11.396 1.539 1.00 0.00 C ATOM 1712 O VAL A 113 14.579 12.556 1.234 1.00 0.00 O ATOM 1713 CB VAL A 113 13.025 10.304 0.239 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.995 10.518 -0.913 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.265 8.996 0.072 1.00 0.00 C ATOM 0 H VAL A 113 11.913 10.811 2.420 1.00 0.00 H new ATOM 0 HA VAL A 113 14.237 9.350 1.749 1.00 0.00 H new ATOM 0 HB VAL A 113 12.304 11.121 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.449 10.501 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.490 11.482 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.742 9.724 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.742 8.999 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.966 8.162 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.542 8.890 0.881 1.00 0.00 H new ATOM 1725 N SER A 114 16.087 11.001 1.844 1.00 0.00 N ATOM 1726 CA SER A 114 17.211 11.930 1.839 1.00 0.00 C ATOM 1727 C SER A 114 18.119 11.678 0.639 1.00 0.00 C ATOM 1728 O SER A 114 18.120 10.590 0.065 1.00 0.00 O ATOM 1729 CB SER A 114 18.012 11.800 3.136 1.00 0.00 C ATOM 1730 OG SER A 114 18.734 12.989 3.410 1.00 0.00 O ATOM 0 H SER A 114 16.332 10.044 2.098 1.00 0.00 H new ATOM 0 HA SER A 114 16.814 12.942 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.337 11.581 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.703 10.961 3.058 1.00 0.00 H new ATOM 0 HG SER A 114 19.236 12.882 4.245 1.00 0.00 H new