USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.4) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 94:sc= 0.102 USER MOD Single : A 30 SER OG : rot 180:sc=4.74e-05 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -110:sc= 0.399 USER MOD Single : A 38 SER OG : rot 120:sc= -0.649 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0734 USER MOD Single : A 55 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.6!) USER MOD Single : A 60 ASN : amide:sc= 0.0597 K(o=0.06,f=-3.7!) USER MOD Single : A 65 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.55) USER MOD Single : A 69 TYR OH : rot -93:sc= 0.738 USER MOD Single : A 70 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -83:sc= 1.02 USER MOD Single : A 84 THR OG1 : rot -26:sc= 0.412 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.982 -7.313 10.234 1.00 0.00 N ATOM 174 CA VAL A 14 -15.257 -6.105 9.466 1.00 0.00 C ATOM 175 C VAL A 14 -16.252 -6.382 8.344 1.00 0.00 C ATOM 176 O VAL A 14 -16.177 -7.413 7.674 1.00 0.00 O ATOM 177 CB VAL A 14 -13.967 -5.520 8.861 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.293 -4.368 7.921 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.020 -5.068 9.962 1.00 0.00 C ATOM 0 HA VAL A 14 -15.687 -5.380 10.158 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.471 -6.300 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.370 -3.967 7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.931 -4.727 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.812 -3.584 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.114 -4.657 9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.505 -4.303 10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.761 -5.919 10.592 1.00 0.00 H new ATOM 189 N HIS A 15 -17.182 -5.455 8.143 1.00 0.00 N ATOM 190 CA HIS A 15 -18.192 -5.598 7.100 1.00 0.00 C ATOM 191 C HIS A 15 -18.314 -4.316 6.282 1.00 0.00 C ATOM 192 O HIS A 15 -18.778 -3.291 6.781 1.00 0.00 O ATOM 193 CB HIS A 15 -19.545 -5.953 7.717 1.00 0.00 C ATOM 194 CG HIS A 15 -19.694 -7.409 8.038 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.089 -8.407 7.304 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.384 -8.033 9.021 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.401 -9.582 7.821 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.185 -9.382 8.864 1.00 0.00 N ATOM 0 H HIS A 15 -17.258 -4.596 8.688 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.881 -6.404 6.435 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.683 -5.372 8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.337 -5.658 7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.980 -7.558 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.071 -10.542 7.453 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.579 -10.112 9.457 1.00 0.00 H new ATOM 206 N ILE A 16 -17.892 -4.382 5.023 1.00 0.00 N ATOM 207 CA ILE A 16 -17.955 -3.227 4.136 1.00 0.00 C ATOM 208 C ILE A 16 -19.386 -2.722 3.991 1.00 0.00 C ATOM 209 O ILE A 16 -20.212 -3.349 3.327 1.00 0.00 O ATOM 210 CB ILE A 16 -17.395 -3.558 2.740 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.941 -4.021 2.846 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.507 -2.349 1.824 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.998 -2.943 3.333 1.00 0.00 C ATOM 0 H ILE A 16 -17.503 -5.222 4.595 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.342 -2.448 4.589 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.984 -4.369 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.888 -4.873 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.607 -4.370 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.107 -2.599 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.554 -2.061 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.940 -1.519 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.985 -3.342 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.022 -2.100 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.307 -2.610 4.324 1.00 0.00 H new ATOM 225 N ILE A 17 -19.672 -1.584 4.615 1.00 0.00 N ATOM 226 CA ILE A 17 -21.003 -0.992 4.553 1.00 0.00 C ATOM 227 C ILE A 17 -21.185 -0.182 3.274 1.00 0.00 C ATOM 228 O ILE A 17 -22.046 -0.490 2.451 1.00 0.00 O ATOM 229 CB ILE A 17 -21.272 -0.083 5.766 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.839 -0.779 7.058 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.745 0.294 5.829 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.052 0.062 8.298 1.00 0.00 C ATOM 0 H ILE A 17 -19.000 -1.054 5.169 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.716 -1.816 4.563 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.688 0.830 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.393 -1.712 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.784 -1.042 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.919 0.937 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.024 0.825 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.348 -0.609 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.723 -0.494 9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.476 0.984 8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.110 0.303 8.397 1.00 0.00 H new ATOM 244 N GLU A 18 -20.367 0.854 3.114 1.00 0.00 N ATOM 245 CA GLU A 18 -20.438 1.708 1.935 1.00 0.00 C ATOM 246 C GLU A 18 -19.096 1.746 1.209 1.00 0.00 C ATOM 247 O GLU A 18 -18.290 2.653 1.420 1.00 0.00 O ATOM 248 CB GLU A 18 -20.858 3.125 2.328 1.00 0.00 C ATOM 249 CG GLU A 18 -22.092 3.171 3.213 1.00 0.00 C ATOM 250 CD GLU A 18 -22.424 4.575 3.681 1.00 0.00 C ATOM 251 OE1 GLU A 18 -21.548 5.458 3.570 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.558 4.790 4.157 1.00 0.00 O ATOM 0 H GLU A 18 -19.648 1.122 3.786 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.185 1.290 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.031 3.609 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.048 3.702 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.942 2.764 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.936 2.530 4.081 1.00 0.00 H new ATOM 259 N ASP A 19 -18.863 0.756 0.355 1.00 0.00 N ATOM 260 CA ASP A 19 -17.620 0.676 -0.403 1.00 0.00 C ATOM 261 C ASP A 19 -17.407 1.937 -1.233 1.00 0.00 C ATOM 262 O ASP A 19 -18.366 2.601 -1.630 1.00 0.00 O ATOM 263 CB ASP A 19 -17.631 -0.554 -1.313 1.00 0.00 C ATOM 264 CG ASP A 19 -16.566 -0.486 -2.390 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.376 -0.342 -2.040 1.00 0.00 O ATOM 266 OD2 ASP A 19 -16.923 -0.577 -3.583 1.00 0.00 O ATOM 0 H ASP A 19 -19.519 -0.003 0.170 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.796 0.587 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.478 -1.450 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.611 -0.648 -1.781 1.00 0.00 H new ATOM 271 N LEU A 20 -16.146 2.263 -1.492 1.00 0.00 N ATOM 272 CA LEU A 20 -15.807 3.446 -2.275 1.00 0.00 C ATOM 273 C LEU A 20 -16.548 3.448 -3.608 1.00 0.00 C ATOM 274 O LEU A 20 -17.221 2.478 -3.956 1.00 0.00 O ATOM 275 CB LEU A 20 -14.298 3.505 -2.519 1.00 0.00 C ATOM 276 CG LEU A 20 -13.411 3.341 -1.283 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.209 2.467 -1.602 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.963 4.700 -0.764 1.00 0.00 C ATOM 0 H LEU A 20 -15.341 1.725 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.113 4.326 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.035 2.727 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.063 4.461 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.994 2.851 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.589 2.361 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.550 1.484 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.625 2.929 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.333 4.564 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.397 5.217 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.837 5.293 -0.496 1.00 0.00 H new ATOM 290 N GLU A 21 -16.419 4.544 -4.350 1.00 0.00 N ATOM 291 CA GLU A 21 -17.077 4.671 -5.645 1.00 0.00 C ATOM 292 C GLU A 21 -16.053 4.875 -6.758 1.00 0.00 C ATOM 293 O GLU A 21 -15.752 3.953 -7.516 1.00 0.00 O ATOM 294 CB GLU A 21 -18.067 5.838 -5.628 1.00 0.00 C ATOM 295 CG GLU A 21 -17.744 6.893 -4.583 1.00 0.00 C ATOM 296 CD GLU A 21 -18.322 8.252 -4.930 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.162 8.321 -5.851 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.933 9.245 -4.281 1.00 0.00 O ATOM 0 H GLU A 21 -15.865 5.356 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.620 3.746 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.082 6.306 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.069 5.451 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.133 6.573 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.662 6.978 -4.480 1.00 0.00 H new ATOM 305 N ASP A 22 -15.521 6.089 -6.849 1.00 0.00 N ATOM 306 CA ASP A 22 -14.530 6.416 -7.868 1.00 0.00 C ATOM 307 C ASP A 22 -14.111 7.879 -7.768 1.00 0.00 C ATOM 308 O ASP A 22 -14.814 8.699 -7.177 1.00 0.00 O ATOM 309 CB ASP A 22 -15.087 6.125 -9.262 1.00 0.00 C ATOM 310 CG ASP A 22 -16.509 6.623 -9.433 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.740 7.836 -9.246 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.390 5.799 -9.756 1.00 0.00 O ATOM 0 H ASP A 22 -15.759 6.863 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.651 5.793 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.448 6.594 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.057 5.051 -9.445 1.00 0.00 H new ATOM 317 N VAL A 23 -12.960 8.200 -8.350 1.00 0.00 N ATOM 318 CA VAL A 23 -12.446 9.565 -8.327 1.00 0.00 C ATOM 319 C VAL A 23 -11.654 9.875 -9.592 1.00 0.00 C ATOM 320 O VAL A 23 -10.985 9.003 -10.147 1.00 0.00 O ATOM 321 CB VAL A 23 -11.548 9.806 -7.100 1.00 0.00 C ATOM 322 CG1 VAL A 23 -11.045 11.242 -7.079 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.298 9.477 -5.818 1.00 0.00 C ATOM 0 H VAL A 23 -12.366 7.534 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.310 10.228 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.684 9.145 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.412 11.393 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.468 11.439 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.894 11.924 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.648 9.653 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.181 10.111 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.603 8.431 -5.833 1.00 0.00 H new ATOM 333 N ASP A 24 -11.733 11.122 -10.042 1.00 0.00 N ATOM 334 CA ASP A 24 -11.022 11.549 -11.242 1.00 0.00 C ATOM 335 C ASP A 24 -10.720 13.043 -11.192 1.00 0.00 C ATOM 336 O ASP A 24 -11.614 13.874 -11.354 1.00 0.00 O ATOM 337 CB ASP A 24 -11.843 11.224 -12.491 1.00 0.00 C ATOM 338 CG ASP A 24 -13.237 11.817 -12.437 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.116 11.209 -11.792 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.449 12.889 -13.042 1.00 0.00 O ATOM 0 H ASP A 24 -12.282 11.855 -9.594 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.078 11.007 -11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.324 11.602 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.915 10.142 -12.603 1.00 0.00 H new ATOM 345 N VAL A 25 -9.453 13.378 -10.965 1.00 0.00 N ATOM 346 CA VAL A 25 -9.033 14.773 -10.893 1.00 0.00 C ATOM 347 C VAL A 25 -7.599 14.940 -11.384 1.00 0.00 C ATOM 348 O VAL A 25 -6.855 13.967 -11.498 1.00 0.00 O ATOM 349 CB VAL A 25 -9.139 15.318 -9.456 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.540 15.102 -8.905 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.098 14.662 -8.561 1.00 0.00 C ATOM 0 H VAL A 25 -8.701 12.703 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.704 15.340 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.944 16.390 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.596 15.493 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.263 15.622 -9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.767 14.036 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.186 15.058 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.260 13.584 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.101 14.873 -8.947 1.00 0.00 H new ATOM 361 N GLN A 26 -7.220 16.181 -11.673 1.00 0.00 N ATOM 362 CA GLN A 26 -5.875 16.475 -12.153 1.00 0.00 C ATOM 363 C GLN A 26 -4.828 16.071 -11.120 1.00 0.00 C ATOM 364 O GLN A 26 -5.067 16.153 -9.916 1.00 0.00 O ATOM 365 CB GLN A 26 -5.741 17.965 -12.476 1.00 0.00 C ATOM 366 CG GLN A 26 -6.189 18.325 -13.883 1.00 0.00 C ATOM 367 CD GLN A 26 -7.578 18.931 -13.915 1.00 0.00 C ATOM 368 OE1 GLN A 26 -8.581 18.216 -13.887 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.645 20.256 -13.975 1.00 0.00 N ATOM 0 H GLN A 26 -7.824 16.998 -11.583 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.705 15.896 -13.061 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.329 18.538 -11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.701 18.264 -12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.479 19.029 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.172 17.431 -14.506 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.789 20.810 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.553 20.720 -14.000 1.00 0.00 H new ATOM 378 N GLU A 27 -3.668 15.633 -11.601 1.00 0.00 N ATOM 379 CA GLU A 27 -2.586 15.215 -10.718 1.00 0.00 C ATOM 380 C GLU A 27 -2.121 16.373 -9.840 1.00 0.00 C ATOM 381 O GLU A 27 -2.149 17.531 -10.255 1.00 0.00 O ATOM 382 CB GLU A 27 -1.410 14.676 -11.536 1.00 0.00 C ATOM 383 CG GLU A 27 -0.499 15.764 -12.081 1.00 0.00 C ATOM 384 CD GLU A 27 0.773 15.920 -11.271 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.697 16.451 -10.143 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.844 15.511 -11.765 1.00 0.00 O ATOM 0 H GLU A 27 -3.454 15.559 -12.596 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.964 14.422 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.824 14.001 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.796 14.087 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.241 15.533 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.037 16.712 -12.091 1.00 0.00 H new ATOM 393 N GLY A 28 -1.693 16.051 -8.623 1.00 0.00 N ATOM 394 CA GLY A 28 -1.228 17.074 -7.705 1.00 0.00 C ATOM 395 C GLY A 28 -2.329 17.577 -6.792 1.00 0.00 C ATOM 396 O GLY A 28 -2.057 18.195 -5.763 1.00 0.00 O ATOM 0 H GLY A 28 -1.660 15.100 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.414 16.673 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.821 17.910 -8.273 1.00 0.00 H new ATOM 400 N SER A 29 -3.576 17.314 -7.170 1.00 0.00 N ATOM 401 CA SER A 29 -4.722 17.749 -6.381 1.00 0.00 C ATOM 402 C SER A 29 -4.985 16.785 -5.228 1.00 0.00 C ATOM 403 O SER A 29 -4.187 15.886 -4.961 1.00 0.00 O ATOM 404 CB SER A 29 -5.966 17.855 -7.265 1.00 0.00 C ATOM 405 OG SER A 29 -5.740 18.725 -8.361 1.00 0.00 O ATOM 0 H SER A 29 -3.818 16.802 -8.018 1.00 0.00 H new ATOM 0 HA SER A 29 -4.495 18.731 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.240 16.866 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.806 18.220 -6.674 1.00 0.00 H new ATOM 0 HG SER A 29 -5.455 18.203 -9.140 1.00 0.00 H new ATOM 411 N SER A 30 -6.110 16.979 -4.547 1.00 0.00 N ATOM 412 CA SER A 30 -6.477 16.131 -3.420 1.00 0.00 C ATOM 413 C SER A 30 -7.711 15.295 -3.748 1.00 0.00 C ATOM 414 O SER A 30 -8.830 15.805 -3.780 1.00 0.00 O ATOM 415 CB SER A 30 -6.742 16.983 -2.177 1.00 0.00 C ATOM 416 OG SER A 30 -6.905 18.348 -2.521 1.00 0.00 O ATOM 0 H SER A 30 -6.783 17.716 -4.757 1.00 0.00 H new ATOM 0 HA SER A 30 -5.644 15.457 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.637 16.623 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.914 16.877 -1.476 1.00 0.00 H new ATOM 0 HG SER A 30 -7.075 18.872 -1.710 1.00 0.00 H new ATOM 422 N ALA A 31 -7.496 14.006 -3.993 1.00 0.00 N ATOM 423 CA ALA A 31 -8.589 13.098 -4.318 1.00 0.00 C ATOM 424 C ALA A 31 -9.202 12.503 -3.054 1.00 0.00 C ATOM 425 O ALA A 31 -8.584 11.677 -2.382 1.00 0.00 O ATOM 426 CB ALA A 31 -8.100 11.992 -5.241 1.00 0.00 C ATOM 0 H ALA A 31 -6.575 13.568 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.362 13.669 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.927 11.321 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.716 12.430 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.306 11.431 -4.748 1.00 0.00 H new ATOM 432 N THR A 32 -10.421 12.928 -2.736 1.00 0.00 N ATOM 433 CA THR A 32 -11.116 12.438 -1.553 1.00 0.00 C ATOM 434 C THR A 32 -11.682 11.042 -1.785 1.00 0.00 C ATOM 435 O THR A 32 -12.289 10.773 -2.822 1.00 0.00 O ATOM 436 CB THR A 32 -12.262 13.383 -1.143 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.781 14.729 -1.059 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.855 12.966 0.194 1.00 0.00 C ATOM 0 H THR A 32 -10.947 13.611 -3.282 1.00 0.00 H new ATOM 0 HA THR A 32 -10.381 12.399 -0.749 1.00 0.00 H new ATOM 0 HB THR A 32 -13.042 13.324 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.516 15.323 -0.800 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.662 13.648 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.247 11.952 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.082 12.999 0.961 1.00 0.00 H new ATOM 446 N PHE A 33 -11.480 10.157 -0.815 1.00 0.00 N ATOM 447 CA PHE A 33 -11.971 8.788 -0.915 1.00 0.00 C ATOM 448 C PHE A 33 -12.699 8.377 0.361 1.00 0.00 C ATOM 449 O PHE A 33 -12.072 8.041 1.366 1.00 0.00 O ATOM 450 CB PHE A 33 -10.811 7.827 -1.186 1.00 0.00 C ATOM 451 CG PHE A 33 -10.399 7.777 -2.629 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.055 6.946 -3.523 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.355 8.562 -3.092 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.676 6.897 -4.851 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.973 8.518 -4.420 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.635 7.686 -5.301 1.00 0.00 C ATOM 0 H PHE A 33 -10.980 10.363 0.049 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.675 8.740 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.954 8.125 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.096 6.826 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.872 6.330 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.834 9.215 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.193 6.242 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.157 9.134 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.340 7.652 -6.339 1.00 0.00 H new ATOM 466 N ARG A 34 -14.027 8.406 0.313 1.00 0.00 N ATOM 467 CA ARG A 34 -14.842 8.038 1.465 1.00 0.00 C ATOM 468 C ARG A 34 -15.250 6.570 1.396 1.00 0.00 C ATOM 469 O ARG A 34 -15.329 5.988 0.313 1.00 0.00 O ATOM 470 CB ARG A 34 -16.088 8.922 1.538 1.00 0.00 C ATOM 471 CG ARG A 34 -15.941 10.106 2.479 1.00 0.00 C ATOM 472 CD ARG A 34 -16.890 11.235 2.108 1.00 0.00 C ATOM 473 NE ARG A 34 -16.322 12.547 2.402 1.00 0.00 N ATOM 474 CZ ARG A 34 -16.958 13.691 2.175 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.177 13.684 1.654 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.374 14.846 2.469 1.00 0.00 N ATOM 0 H ARG A 34 -14.561 8.681 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.245 8.189 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.321 9.290 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.935 8.316 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.138 9.785 3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.914 10.469 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.129 11.173 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.826 11.115 2.653 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.385 12.588 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.629 12.799 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.663 14.564 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.436 14.856 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.863 15.724 2.294 1.00 0.00 H new ATOM 490 N CYS A 35 -15.507 5.977 2.557 1.00 0.00 N ATOM 491 CA CYS A 35 -15.906 4.576 2.628 1.00 0.00 C ATOM 492 C CYS A 35 -16.375 4.216 4.034 1.00 0.00 C ATOM 493 O CYS A 35 -15.680 4.476 5.017 1.00 0.00 O ATOM 494 CB CYS A 35 -14.743 3.672 2.218 1.00 0.00 C ATOM 495 SG CYS A 35 -13.202 4.002 3.105 1.00 0.00 S ATOM 0 H CYS A 35 -15.446 6.445 3.461 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.735 4.424 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.029 2.633 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.566 3.788 1.149 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.341 4.541 2.294 1.00 0.00 H new ATOM 501 N ARG A 36 -17.558 3.616 4.122 1.00 0.00 N ATOM 502 CA ARG A 36 -18.121 3.223 5.408 1.00 0.00 C ATOM 503 C ARG A 36 -17.851 1.748 5.691 1.00 0.00 C ATOM 504 O ARG A 36 -18.374 0.868 5.006 1.00 0.00 O ATOM 505 CB ARG A 36 -19.627 3.490 5.432 1.00 0.00 C ATOM 506 CG ARG A 36 -20.177 3.749 6.825 1.00 0.00 C ATOM 507 CD ARG A 36 -21.659 3.420 6.909 1.00 0.00 C ATOM 508 NE ARG A 36 -22.365 4.303 7.833 1.00 0.00 N ATOM 509 CZ ARG A 36 -22.369 4.137 9.151 1.00 0.00 C ATOM 510 NH1 ARG A 36 -21.708 3.125 9.696 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.035 4.983 9.926 1.00 0.00 N ATOM 0 H ARG A 36 -18.145 3.392 3.318 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.641 3.819 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.845 4.350 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.146 2.635 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.628 3.149 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.020 4.794 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.105 3.502 5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.783 2.386 7.230 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.884 5.091 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -21.195 2.472 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.712 2.999 10.708 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.545 5.762 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.037 4.854 10.938 1.00 0.00 H new ATOM 525 N ILE A 37 -17.031 1.485 6.703 1.00 0.00 N ATOM 526 CA ILE A 37 -16.693 0.118 7.076 1.00 0.00 C ATOM 527 C ILE A 37 -16.897 -0.111 8.570 1.00 0.00 C ATOM 528 O ILE A 37 -16.436 0.676 9.398 1.00 0.00 O ATOM 529 CB ILE A 37 -15.236 -0.221 6.711 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.270 0.665 7.499 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.013 -0.058 5.215 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.690 -0.010 8.722 1.00 0.00 C ATOM 0 H ILE A 37 -16.589 2.201 7.279 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.361 -0.536 6.516 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.043 -1.261 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.455 0.973 6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.791 1.572 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.978 -0.301 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.680 -0.728 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.221 0.972 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.014 0.677 9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.497 -0.293 9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.140 -0.901 8.419 1.00 0.00 H new ATOM 544 N SER A 38 -17.589 -1.194 8.909 1.00 0.00 N ATOM 545 CA SER A 38 -17.856 -1.526 10.304 1.00 0.00 C ATOM 546 C SER A 38 -16.737 -2.387 10.881 1.00 0.00 C ATOM 547 O SER A 38 -16.047 -3.114 10.166 1.00 0.00 O ATOM 548 CB SER A 38 -19.194 -2.256 10.429 1.00 0.00 C ATOM 549 OG SER A 38 -19.149 -3.229 11.459 1.00 0.00 O ATOM 0 H SER A 38 -17.975 -1.857 8.237 1.00 0.00 H new ATOM 0 HA SER A 38 -17.904 -0.596 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.986 -1.537 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.440 -2.736 9.482 1.00 0.00 H new ATOM 0 HG SER A 38 -19.825 -3.020 12.136 1.00 0.00 H new ATOM 555 N PRO A 39 -16.551 -2.305 12.207 1.00 0.00 N ATOM 556 CA PRO A 39 -17.366 -1.443 13.068 1.00 0.00 C ATOM 557 C PRO A 39 -17.085 0.038 12.837 1.00 0.00 C ATOM 558 O PRO A 39 -15.995 0.413 12.404 1.00 0.00 O ATOM 559 CB PRO A 39 -16.946 -1.854 14.481 1.00 0.00 C ATOM 560 CG PRO A 39 -15.568 -2.398 14.323 1.00 0.00 C ATOM 561 CD PRO A 39 -15.532 -3.047 12.967 1.00 0.00 C ATOM 0 HA PRO A 39 -18.432 -1.563 12.874 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.960 -1.003 15.162 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.622 -2.603 14.893 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.824 -1.604 14.396 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.341 -3.120 15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.547 -2.963 12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.768 -4.110 13.024 1.00 0.00 H new ATOM 569 N ALA A 40 -18.074 0.876 13.131 1.00 0.00 N ATOM 570 CA ALA A 40 -17.931 2.317 12.958 1.00 0.00 C ATOM 571 C ALA A 40 -16.727 2.845 13.730 1.00 0.00 C ATOM 572 O ALA A 40 -16.188 3.904 13.409 1.00 0.00 O ATOM 573 CB ALA A 40 -19.200 3.030 13.402 1.00 0.00 C ATOM 0 H ALA A 40 -18.982 0.582 13.490 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.767 2.517 11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.079 4.105 13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.042 2.682 12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.389 2.815 14.454 1.00 0.00 H new ATOM 579 N ASN A 41 -16.310 2.101 14.749 1.00 0.00 N ATOM 580 CA ASN A 41 -15.169 2.496 15.567 1.00 0.00 C ATOM 581 C ASN A 41 -13.971 1.589 15.305 1.00 0.00 C ATOM 582 O ASN A 41 -13.259 1.200 16.231 1.00 0.00 O ATOM 583 CB ASN A 41 -15.540 2.453 17.051 1.00 0.00 C ATOM 584 CG ASN A 41 -16.763 3.294 17.366 1.00 0.00 C ATOM 585 OD1 ASN A 41 -17.893 2.808 17.318 1.00 0.00 O ATOM 586 ND2 ASN A 41 -16.541 4.563 17.690 1.00 0.00 N ATOM 0 H ASN A 41 -16.745 1.222 15.028 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.896 3.516 15.296 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.727 1.420 17.346 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.697 2.807 17.644 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.324 5.177 17.912 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.587 4.923 17.717 1.00 0.00 H new ATOM 593 N TYR A 42 -13.754 1.257 14.037 1.00 0.00 N ATOM 594 CA TYR A 42 -12.643 0.395 13.653 1.00 0.00 C ATOM 595 C TYR A 42 -11.396 1.218 13.343 1.00 0.00 C ATOM 596 O TYR A 42 -11.470 2.246 12.672 1.00 0.00 O ATOM 597 CB TYR A 42 -13.024 -0.452 12.437 1.00 0.00 C ATOM 598 CG TYR A 42 -11.911 -1.354 11.955 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.911 -0.872 11.120 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.860 -2.690 12.335 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.893 -1.693 10.676 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.845 -3.518 11.897 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.864 -3.016 11.067 1.00 0.00 C ATOM 604 OH TYR A 42 -8.851 -3.837 10.629 1.00 0.00 O ATOM 0 H TYR A 42 -14.333 1.572 13.258 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.421 -0.264 14.492 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.892 -1.062 12.687 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.323 0.209 11.623 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.930 0.163 10.813 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.627 -3.087 12.984 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.124 -1.302 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.819 -4.553 12.203 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.977 -4.737 10.996 1.00 0.00 H new ATOM 614 N GLU A 43 -10.252 0.755 13.836 1.00 0.00 N ATOM 615 CA GLU A 43 -8.988 1.448 13.613 1.00 0.00 C ATOM 616 C GLU A 43 -7.842 0.731 14.320 1.00 0.00 C ATOM 617 O GLU A 43 -8.043 -0.036 15.261 1.00 0.00 O ATOM 618 CB GLU A 43 -9.080 2.894 14.104 1.00 0.00 C ATOM 619 CG GLU A 43 -9.934 3.061 15.349 1.00 0.00 C ATOM 620 CD GLU A 43 -9.552 4.285 16.159 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.490 5.387 15.574 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.314 4.141 17.377 1.00 0.00 O ATOM 0 H GLU A 43 -10.174 -0.096 14.392 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.787 1.448 12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.075 3.263 14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.490 3.514 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.982 3.135 15.059 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.838 2.172 15.973 1.00 0.00 H new ATOM 629 N PRO A 44 -6.609 0.986 13.855 1.00 0.00 N ATOM 630 CA PRO A 44 -6.358 1.897 12.735 1.00 0.00 C ATOM 631 C PRO A 44 -6.848 1.330 11.406 1.00 0.00 C ATOM 632 O PRO A 44 -7.336 0.202 11.343 1.00 0.00 O ATOM 633 CB PRO A 44 -4.834 2.037 12.727 1.00 0.00 C ATOM 634 CG PRO A 44 -4.335 0.787 13.364 1.00 0.00 C ATOM 635 CD PRO A 44 -5.366 0.404 14.389 1.00 0.00 C ATOM 0 HA PRO A 44 -6.886 2.843 12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.452 2.144 11.712 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.515 2.919 13.282 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.207 -0.004 12.625 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.363 0.948 13.830 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.443 -0.678 14.497 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.124 0.806 15.373 1.00 0.00 H new ATOM 643 N VAL A 45 -6.714 2.121 10.346 1.00 0.00 N ATOM 644 CA VAL A 45 -7.142 1.697 9.018 1.00 0.00 C ATOM 645 C VAL A 45 -5.979 1.724 8.032 1.00 0.00 C ATOM 646 O VAL A 45 -5.096 2.577 8.120 1.00 0.00 O ATOM 647 CB VAL A 45 -8.276 2.591 8.482 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.563 2.342 9.253 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.877 4.057 8.553 1.00 0.00 C ATOM 0 H VAL A 45 -6.313 3.058 10.381 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.510 0.675 9.114 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.453 2.336 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.352 2.983 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.856 1.298 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.405 2.567 10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.690 4.674 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.672 4.328 9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.983 4.220 7.951 1.00 0.00 H new ATOM 659 N HIS A 46 -5.986 0.784 7.092 1.00 0.00 N ATOM 660 CA HIS A 46 -4.932 0.699 6.087 1.00 0.00 C ATOM 661 C HIS A 46 -5.444 1.156 4.724 1.00 0.00 C ATOM 662 O HIS A 46 -6.617 0.977 4.399 1.00 0.00 O ATOM 663 CB HIS A 46 -4.402 -0.731 5.993 1.00 0.00 C ATOM 664 CG HIS A 46 -3.892 -1.268 7.295 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.142 -0.518 8.176 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.031 -2.488 7.865 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.839 -1.255 9.231 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.367 -2.454 9.067 1.00 0.00 N ATOM 0 H HIS A 46 -6.710 0.071 7.005 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.120 1.359 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.197 -1.381 5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.599 -0.764 5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.565 -3.331 7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.258 -0.931 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.294 -3.229 9.726 1.00 0.00 H new ATOM 676 N TRP A 47 -4.556 1.745 3.932 1.00 0.00 N ATOM 677 CA TRP A 47 -4.918 2.228 2.604 1.00 0.00 C ATOM 678 C TRP A 47 -3.818 1.920 1.594 1.00 0.00 C ATOM 679 O TRP A 47 -2.644 2.202 1.836 1.00 0.00 O ATOM 680 CB TRP A 47 -5.186 3.733 2.642 1.00 0.00 C ATOM 681 CG TRP A 47 -6.434 4.096 3.388 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.631 4.024 4.738 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.657 4.584 2.827 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.904 4.439 5.049 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.553 4.788 3.895 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.082 4.870 1.527 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.847 5.264 3.700 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.367 5.342 1.335 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.236 5.536 2.417 1.00 0.00 C ATOM 0 H TRP A 47 -3.580 1.900 4.186 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.826 1.712 2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.336 4.234 3.105 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.260 4.107 1.621 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.895 3.690 5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.301 4.480 5.988 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.418 4.725 0.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.519 5.413 4.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.707 5.565 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.233 5.908 2.234 1.00 0.00 H new ATOM 700 N PHE A 48 -4.204 1.340 0.463 1.00 0.00 N ATOM 701 CA PHE A 48 -3.250 0.993 -0.584 1.00 0.00 C ATOM 702 C PHE A 48 -3.692 1.556 -1.931 1.00 0.00 C ATOM 703 O PHE A 48 -4.854 1.920 -2.114 1.00 0.00 O ATOM 704 CB PHE A 48 -3.094 -0.526 -0.679 1.00 0.00 C ATOM 705 CG PHE A 48 -2.622 -1.161 0.598 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.500 -1.372 1.648 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.300 -1.548 0.746 1.00 0.00 C ATOM 708 CE1 PHE A 48 -3.067 -1.956 2.824 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.861 -2.132 1.920 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.747 -2.337 2.960 1.00 0.00 C ATOM 0 H PHE A 48 -5.172 1.100 0.248 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.288 1.434 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.051 -0.965 -0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.388 -0.762 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.534 -1.077 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.604 -1.392 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.761 -2.114 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.173 -2.427 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.408 -2.794 3.878 1.00 0.00 H new ATOM 720 N LEU A 49 -2.757 1.625 -2.872 1.00 0.00 N ATOM 721 CA LEU A 49 -3.048 2.144 -4.204 1.00 0.00 C ATOM 722 C LEU A 49 -2.360 1.306 -5.277 1.00 0.00 C ATOM 723 O LEU A 49 -1.152 1.416 -5.485 1.00 0.00 O ATOM 724 CB LEU A 49 -2.600 3.602 -4.314 1.00 0.00 C ATOM 725 CG LEU A 49 -2.860 4.285 -5.658 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.693 4.059 -6.606 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.156 3.775 -6.273 1.00 0.00 C ATOM 0 H LEU A 49 -1.791 1.328 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.125 2.089 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.102 4.175 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.531 3.649 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.959 5.357 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.896 4.552 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.784 4.473 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.561 2.990 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.325 4.271 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.085 2.699 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.987 3.989 -5.601 1.00 0.00 H new ATOM 739 N ASP A 50 -3.138 0.471 -5.958 1.00 0.00 N ATOM 740 CA ASP A 50 -2.604 -0.383 -7.013 1.00 0.00 C ATOM 741 C ASP A 50 -1.684 -1.452 -6.432 1.00 0.00 C ATOM 742 O ASP A 50 -2.072 -2.612 -6.292 1.00 0.00 O ATOM 743 CB ASP A 50 -1.846 0.456 -8.043 1.00 0.00 C ATOM 744 CG ASP A 50 -2.560 0.516 -9.379 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.808 0.464 -9.388 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.871 0.617 -10.415 1.00 0.00 O ATOM 0 H ASP A 50 -4.140 0.367 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.441 -0.878 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.716 1.467 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.849 0.038 -8.185 1.00 0.00 H new ATOM 751 N LYS A 51 -0.461 -1.055 -6.097 1.00 0.00 N ATOM 752 CA LYS A 51 0.516 -1.978 -5.532 1.00 0.00 C ATOM 753 C LYS A 51 1.508 -1.240 -4.638 1.00 0.00 C ATOM 754 O LYS A 51 2.707 -1.522 -4.658 1.00 0.00 O ATOM 755 CB LYS A 51 1.265 -2.708 -6.649 1.00 0.00 C ATOM 756 CG LYS A 51 2.145 -1.797 -7.487 1.00 0.00 C ATOM 757 CD LYS A 51 3.561 -2.339 -7.599 1.00 0.00 C ATOM 758 CE LYS A 51 3.715 -3.249 -8.808 1.00 0.00 C ATOM 759 NZ LYS A 51 5.116 -3.728 -8.967 1.00 0.00 N ATOM 0 H LYS A 51 -0.123 -0.099 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.020 -2.708 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.882 -3.492 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.541 -3.199 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.715 -1.690 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.169 -0.802 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.264 -1.510 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.814 -2.890 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.048 -4.105 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.410 -2.713 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.179 -4.345 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.750 -2.913 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.399 -4.261 -8.120 1.00 0.00 H new ATOM 773 N THR A 52 1.001 -0.294 -3.853 1.00 0.00 N ATOM 774 CA THR A 52 1.842 0.484 -2.953 1.00 0.00 C ATOM 775 C THR A 52 1.061 0.937 -1.725 1.00 0.00 C ATOM 776 O THR A 52 -0.040 1.479 -1.825 1.00 0.00 O ATOM 777 CB THR A 52 2.429 1.720 -3.659 1.00 0.00 C ATOM 778 OG1 THR A 52 3.065 1.330 -4.881 1.00 0.00 O ATOM 779 CG2 THR A 52 3.432 2.430 -2.763 1.00 0.00 C ATOM 0 H THR A 52 0.011 -0.049 -3.823 1.00 0.00 H new ATOM 0 HA THR A 52 2.658 -0.168 -2.641 1.00 0.00 H new ATOM 0 HB THR A 52 1.612 2.408 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.434 2.122 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.833 3.300 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.937 2.752 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.246 1.748 -2.516 1.00 0.00 H new ATOM 787 N PRO A 53 1.641 0.712 -0.537 1.00 0.00 N ATOM 788 CA PRO A 53 1.017 1.091 0.734 1.00 0.00 C ATOM 789 C PRO A 53 0.974 2.603 0.931 1.00 0.00 C ATOM 790 O PRO A 53 1.856 3.325 0.463 1.00 0.00 O ATOM 791 CB PRO A 53 1.922 0.440 1.783 1.00 0.00 C ATOM 792 CG PRO A 53 3.246 0.312 1.112 1.00 0.00 C ATOM 793 CD PRO A 53 2.952 0.070 -0.342 1.00 0.00 C ATOM 0 HA PRO A 53 -0.023 0.768 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.991 1.053 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.537 -0.533 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.840 1.216 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.820 -0.511 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.714 0.510 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.916 -0.995 -0.573 1.00 0.00 H new ATOM 801 N LEU A 54 -0.054 3.075 1.627 1.00 0.00 N ATOM 802 CA LEU A 54 -0.210 4.502 1.886 1.00 0.00 C ATOM 803 C LEU A 54 -0.333 4.773 3.382 1.00 0.00 C ATOM 804 O LEU A 54 -0.939 3.993 4.118 1.00 0.00 O ATOM 805 CB LEU A 54 -1.441 5.042 1.156 1.00 0.00 C ATOM 806 CG LEU A 54 -1.384 5.006 -0.372 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.780 4.856 -0.955 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.711 6.261 -0.910 1.00 0.00 C ATOM 0 H LEU A 54 -0.791 2.491 2.022 1.00 0.00 H new ATOM 0 HA LEU A 54 0.678 5.013 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.311 4.471 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.601 6.074 1.470 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.792 4.142 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.719 4.832 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.226 3.929 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.397 5.699 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.679 6.218 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.276 7.139 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.305 6.325 -0.519 1.00 0.00 H new ATOM 820 N HIS A 55 0.243 5.886 3.827 1.00 0.00 N ATOM 821 CA HIS A 55 0.195 6.261 5.235 1.00 0.00 C ATOM 822 C HIS A 55 0.100 7.776 5.390 1.00 0.00 C ATOM 823 O HIS A 55 0.695 8.528 4.619 1.00 0.00 O ATOM 824 CB HIS A 55 1.432 5.739 5.966 1.00 0.00 C ATOM 825 CG HIS A 55 1.760 4.313 5.646 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.026 3.247 6.123 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.748 3.780 4.891 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.549 2.120 5.676 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.596 2.415 4.926 1.00 0.00 N ATOM 0 H HIS A 55 0.748 6.543 3.232 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.695 5.811 5.675 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.286 6.366 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.276 5.835 7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.514 4.326 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.183 1.126 5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.194 1.739 4.450 1.00 0.00 H new ATOM 837 N ALA A 56 -0.654 8.217 6.392 1.00 0.00 N ATOM 838 CA ALA A 56 -0.826 9.642 6.649 1.00 0.00 C ATOM 839 C ALA A 56 0.521 10.347 6.759 1.00 0.00 C ATOM 840 O ALA A 56 1.428 9.870 7.440 1.00 0.00 O ATOM 841 CB ALA A 56 -1.641 9.855 7.916 1.00 0.00 C ATOM 0 H ALA A 56 -1.155 7.608 7.039 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.365 10.075 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.762 10.923 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.622 9.394 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.124 9.401 8.762 1.00 0.00 H new ATOM 847 N ASN A 57 0.646 11.484 6.084 1.00 0.00 N ATOM 848 CA ASN A 57 1.884 12.255 6.105 1.00 0.00 C ATOM 849 C ASN A 57 1.633 13.700 5.687 1.00 0.00 C ATOM 850 O ASN A 57 0.487 14.133 5.573 1.00 0.00 O ATOM 851 CB ASN A 57 2.922 11.617 5.179 1.00 0.00 C ATOM 852 CG ASN A 57 4.283 11.491 5.836 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.386 11.360 7.056 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.336 11.531 5.028 1.00 0.00 N ATOM 0 H ASN A 57 -0.095 11.893 5.515 1.00 0.00 H new ATOM 0 HA ASN A 57 2.267 12.253 7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.575 10.629 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.013 12.216 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.277 11.452 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.203 11.641 4.023 1.00 0.00 H new ATOM 861 N GLU A 58 2.713 14.440 5.458 1.00 0.00 N ATOM 862 CA GLU A 58 2.609 15.837 5.052 1.00 0.00 C ATOM 863 C GLU A 58 1.674 15.988 3.857 1.00 0.00 C ATOM 864 O GLU A 58 1.020 17.019 3.691 1.00 0.00 O ATOM 865 CB GLU A 58 3.992 16.395 4.706 1.00 0.00 C ATOM 866 CG GLU A 58 3.951 17.784 4.091 1.00 0.00 C ATOM 867 CD GLU A 58 4.929 18.740 4.744 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.797 18.985 5.962 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.828 19.243 4.038 1.00 0.00 O ATOM 0 H GLU A 58 3.669 14.096 5.547 1.00 0.00 H new ATOM 0 HA GLU A 58 2.196 16.402 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.599 16.425 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.486 15.714 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.174 17.713 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.942 18.186 4.179 1.00 0.00 H new ATOM 876 N LEU A 59 1.615 14.954 3.025 1.00 0.00 N ATOM 877 CA LEU A 59 0.759 14.970 1.843 1.00 0.00 C ATOM 878 C LEU A 59 -0.459 14.073 2.040 1.00 0.00 C ATOM 879 O LEU A 59 -1.588 14.472 1.758 1.00 0.00 O ATOM 880 CB LEU A 59 1.547 14.517 0.613 1.00 0.00 C ATOM 881 CG LEU A 59 2.902 15.193 0.397 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.606 14.602 -0.814 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.728 16.696 0.234 1.00 0.00 C ATOM 0 H LEU A 59 2.150 14.094 3.147 1.00 0.00 H new ATOM 0 HA LEU A 59 0.413 15.992 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.708 13.441 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.933 14.689 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 59 3.521 15.012 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.568 15.095 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.764 13.535 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.991 14.752 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.702 17.161 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.091 16.897 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.266 17.108 1.131 1.00 0.00 H new ATOM 895 N ASN A 60 -0.221 12.860 2.527 1.00 0.00 N ATOM 896 CA ASN A 60 -1.299 11.907 2.764 1.00 0.00 C ATOM 897 C ASN A 60 -2.179 12.357 3.925 1.00 0.00 C ATOM 898 O ASN A 60 -1.679 12.785 4.965 1.00 0.00 O ATOM 899 CB ASN A 60 -0.725 10.518 3.053 1.00 0.00 C ATOM 900 CG ASN A 60 0.481 10.200 2.191 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.588 10.672 2.453 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.273 9.396 1.155 1.00 0.00 N ATOM 0 H ASN A 60 0.708 12.514 2.765 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.913 11.860 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.443 10.456 4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.497 9.767 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.047 9.147 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.661 9.027 0.975 1.00 0.00 H new ATOM 909 N GLU A 61 -3.491 12.258 3.740 1.00 0.00 N ATOM 910 CA GLU A 61 -4.441 12.656 4.772 1.00 0.00 C ATOM 911 C GLU A 61 -5.498 11.576 4.985 1.00 0.00 C ATOM 912 O GLU A 61 -6.156 11.142 4.039 1.00 0.00 O ATOM 913 CB GLU A 61 -5.114 13.977 4.396 1.00 0.00 C ATOM 914 CG GLU A 61 -5.048 15.028 5.491 1.00 0.00 C ATOM 915 CD GLU A 61 -6.271 15.924 5.515 1.00 0.00 C ATOM 916 OE1 GLU A 61 -6.692 16.381 4.431 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.807 16.169 6.616 1.00 0.00 O ATOM 0 H GLU A 61 -3.921 11.905 2.885 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.891 12.790 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.642 14.372 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.159 13.786 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.945 14.534 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.157 15.640 5.349 1.00 0.00 H new ATOM 924 N ILE A 62 -5.654 11.147 6.233 1.00 0.00 N ATOM 925 CA ILE A 62 -6.631 10.119 6.570 1.00 0.00 C ATOM 926 C ILE A 62 -7.460 10.526 7.783 1.00 0.00 C ATOM 927 O ILE A 62 -7.004 10.423 8.922 1.00 0.00 O ATOM 928 CB ILE A 62 -5.950 8.768 6.857 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.162 8.299 5.632 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.985 7.728 7.257 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.777 7.789 5.963 1.00 0.00 C ATOM 0 H ILE A 62 -5.117 11.495 7.027 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.286 10.010 5.705 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.254 8.897 7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.721 7.509 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.077 9.126 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.488 6.778 7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.507 8.060 8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.703 7.599 6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.277 7.474 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.200 8.584 6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.854 6.942 6.644 1.00 0.00 H new ATOM 943 N ASP A 63 -8.681 10.986 7.531 1.00 0.00 N ATOM 944 CA ASP A 63 -9.576 11.405 8.604 1.00 0.00 C ATOM 945 C ASP A 63 -10.406 10.229 9.110 1.00 0.00 C ATOM 946 O ASP A 63 -10.293 9.114 8.603 1.00 0.00 O ATOM 947 CB ASP A 63 -10.498 12.525 8.118 1.00 0.00 C ATOM 948 CG ASP A 63 -10.249 13.834 8.841 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.798 14.014 9.948 1.00 0.00 O ATOM 950 OD2 ASP A 63 -9.506 14.679 8.299 1.00 0.00 O ATOM 0 H ASP A 63 -9.073 11.078 6.594 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.967 11.777 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.354 12.671 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.536 12.225 8.262 1.00 0.00 H new ATOM 955 N ALA A 64 -11.239 10.488 10.113 1.00 0.00 N ATOM 956 CA ALA A 64 -12.088 9.451 10.687 1.00 0.00 C ATOM 957 C ALA A 64 -13.441 10.018 11.103 1.00 0.00 C ATOM 958 O ALA A 64 -13.768 10.058 12.289 1.00 0.00 O ATOM 959 CB ALA A 64 -11.397 8.802 11.877 1.00 0.00 C ATOM 0 H ALA A 64 -11.344 11.406 10.544 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.260 8.693 9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.042 8.030 12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.458 8.354 11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.195 9.557 12.637 1.00 0.00 H new ATOM 965 N GLN A 65 -14.222 10.456 10.120 1.00 0.00 N ATOM 966 CA GLN A 65 -15.539 11.023 10.387 1.00 0.00 C ATOM 967 C GLN A 65 -16.372 10.080 11.248 1.00 0.00 C ATOM 968 O GLN A 65 -16.100 8.883 11.345 1.00 0.00 O ATOM 969 CB GLN A 65 -16.268 11.311 9.073 1.00 0.00 C ATOM 970 CG GLN A 65 -16.006 12.705 8.525 1.00 0.00 C ATOM 971 CD GLN A 65 -16.734 12.965 7.221 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.828 12.449 6.994 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.128 13.770 6.356 1.00 0.00 N ATOM 0 H GLN A 65 -13.966 10.429 9.133 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.402 11.957 10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.964 10.574 8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.340 11.185 9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.315 13.445 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.935 12.836 8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.221 14.176 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.570 13.983 5.461 1.00 0.00 H new ATOM 982 N PRO A 66 -17.413 10.630 11.891 1.00 0.00 N ATOM 983 CA PRO A 66 -18.308 9.856 12.756 1.00 0.00 C ATOM 984 C PRO A 66 -19.182 8.887 11.967 1.00 0.00 C ATOM 985 O PRO A 66 -19.753 9.246 10.939 1.00 0.00 O ATOM 986 CB PRO A 66 -19.171 10.930 13.425 1.00 0.00 C ATOM 987 CG PRO A 66 -19.151 12.078 12.476 1.00 0.00 C ATOM 988 CD PRO A 66 -17.797 12.050 11.822 1.00 0.00 C ATOM 0 HA PRO A 66 -17.756 9.233 13.460 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.187 10.573 13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.768 11.213 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.945 11.985 11.735 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.312 13.020 13.000 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.841 12.405 10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.084 12.685 12.348 1.00 0.00 H new ATOM 996 N GLY A 67 -19.282 7.655 12.457 1.00 0.00 N ATOM 997 CA GLY A 67 -20.088 6.652 11.785 1.00 0.00 C ATOM 998 C GLY A 67 -19.262 5.747 10.893 1.00 0.00 C ATOM 999 O GLY A 67 -19.761 5.220 9.900 1.00 0.00 O ATOM 0 H GLY A 67 -18.819 7.334 13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.606 6.048 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.853 7.146 11.187 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.993 5.567 11.247 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.116 4.720 10.459 1.00 0.00 C ATOM 1005 C GLY A 68 -16.837 5.295 9.084 1.00 0.00 C ATOM 1006 O GLY A 68 -16.649 4.553 8.120 1.00 0.00 O ATOM 0 H GLY A 68 -17.557 5.992 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.174 4.583 10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.568 3.734 10.352 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.810 6.620 8.993 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.556 7.293 7.725 1.00 0.00 C ATOM 1012 C TYR A 69 -15.079 7.646 7.583 1.00 0.00 C ATOM 1013 O TYR A 69 -14.638 8.713 8.014 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.407 8.560 7.617 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.735 8.340 6.929 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.673 7.459 7.452 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.053 9.015 5.757 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.888 7.254 6.826 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.265 8.818 5.125 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.179 7.936 5.664 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.389 7.736 5.038 1.00 0.00 O ATOM 0 H TYR A 69 -16.961 7.249 9.782 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.828 6.611 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.586 8.954 8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.846 9.319 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.449 6.925 8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.340 9.706 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.605 6.564 7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.496 9.351 4.215 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.293 7.040 4.355 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.317 6.743 6.974 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.889 6.957 6.772 1.00 0.00 C ATOM 1033 C HIS A 70 -12.631 7.710 5.471 1.00 0.00 C ATOM 1034 O HIS A 70 -12.777 7.156 4.381 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.148 5.620 6.757 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.211 4.885 8.060 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.559 5.312 9.198 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.856 3.746 8.404 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.799 4.466 10.184 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.584 3.507 9.728 1.00 0.00 N ATOM 0 H HIS A 70 -14.665 5.855 6.612 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.517 7.560 7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.569 4.990 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.104 5.796 6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.471 3.138 7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.418 4.545 11.191 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.932 2.717 10.271 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.247 8.977 5.591 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.969 9.806 4.425 1.00 0.00 C ATOM 1050 C VAL A 71 -10.471 9.883 4.150 1.00 0.00 C ATOM 1051 O VAL A 71 -9.668 10.058 5.068 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.520 11.233 4.605 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.384 12.026 3.314 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.970 11.189 5.063 1.00 0.00 C ATOM 0 H VAL A 71 -12.121 9.452 6.485 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.468 9.336 3.577 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.934 11.736 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.779 13.031 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.333 12.086 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.943 11.529 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.344 12.206 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.571 10.668 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.035 10.661 6.015 1.00 0.00 H new ATOM 1064 N LEU A 72 -10.100 9.752 2.881 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.698 9.807 2.484 1.00 0.00 C ATOM 1066 C LEU A 72 -8.467 10.908 1.453 1.00 0.00 C ATOM 1067 O LEU A 72 -9.005 10.860 0.346 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.255 8.458 1.914 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.821 8.390 1.389 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.869 7.951 2.492 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.733 7.445 0.200 1.00 0.00 C ATOM 0 H LEU A 72 -10.751 9.607 2.109 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.104 10.033 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.373 7.702 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.931 8.189 1.102 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.528 9.386 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.853 7.908 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.911 8.665 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.160 6.965 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.705 7.409 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.046 6.446 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.385 7.802 -0.597 1.00 0.00 H new ATOM 1083 N THR A 73 -7.660 11.898 1.823 1.00 0.00 N ATOM 1084 CA THR A 73 -7.357 13.010 0.931 1.00 0.00 C ATOM 1085 C THR A 73 -5.886 13.008 0.531 1.00 0.00 C ATOM 1086 O THR A 73 -5.044 13.585 1.220 1.00 0.00 O ATOM 1087 CB THR A 73 -7.698 14.363 1.583 1.00 0.00 C ATOM 1088 OG1 THR A 73 -9.090 14.409 1.915 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.355 15.515 0.650 1.00 0.00 C ATOM 0 H THR A 73 -7.205 11.952 2.734 1.00 0.00 H new ATOM 0 HA THR A 73 -7.973 12.879 0.042 1.00 0.00 H new ATOM 0 HB THR A 73 -7.105 14.464 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.299 15.272 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.605 16.460 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.289 15.494 0.422 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.925 15.417 -0.274 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.582 12.356 -0.586 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.211 12.280 -1.079 1.00 0.00 C ATOM 1099 C LEU A 74 -3.801 13.586 -1.752 1.00 0.00 C ATOM 1100 O LEU A 74 -4.060 13.793 -2.937 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.066 11.118 -2.064 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.998 9.721 -1.447 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.482 8.675 -2.440 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.581 9.408 -0.990 1.00 0.00 C ATOM 0 H LEU A 74 -6.266 11.872 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.553 12.110 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.908 11.147 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.163 11.278 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.653 9.697 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.426 7.687 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.514 8.888 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.853 8.699 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.552 8.410 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.905 9.450 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.269 10.139 -0.244 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.157 14.462 -0.988 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.710 15.748 -1.510 1.00 0.00 C ATOM 1118 C ARG A 75 -1.426 15.589 -2.318 1.00 0.00 C ATOM 1119 O ARG A 75 -0.621 14.697 -2.053 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.486 16.737 -0.365 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.644 16.806 0.617 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.435 17.904 1.648 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.838 19.213 1.143 1.00 0.00 N ATOM 1124 CZ ARG A 75 -3.950 20.293 1.909 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.692 20.220 3.207 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.322 21.450 1.375 1.00 0.00 N ATOM 0 H ARG A 75 -2.933 14.305 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.488 16.135 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.581 16.457 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.315 17.729 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.572 16.986 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.752 15.846 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.006 17.671 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.384 17.935 1.937 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.045 19.304 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.406 19.333 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.779 21.051 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.522 21.510 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.408 22.279 1.963 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.242 16.460 -3.306 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.057 16.415 -4.153 1.00 0.00 C ATOM 1142 C GLN A 76 0.100 15.041 -4.797 1.00 0.00 C ATOM 1143 O GLN A 76 1.039 14.305 -4.493 1.00 0.00 O ATOM 1144 CB GLN A 76 1.192 16.754 -3.338 1.00 0.00 C ATOM 1145 CG GLN A 76 1.106 18.092 -2.621 1.00 0.00 C ATOM 1146 CD GLN A 76 2.211 19.046 -3.031 1.00 0.00 C ATOM 1147 OE1 GLN A 76 1.949 20.169 -3.462 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.455 18.603 -2.898 1.00 0.00 N ATOM 0 H GLN A 76 -1.899 17.205 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.179 17.155 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.360 15.967 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.057 16.761 -4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.139 18.550 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.155 17.927 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.626 17.665 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.240 19.201 -3.157 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.825 14.702 -5.688 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.790 13.415 -6.375 1.00 0.00 C ATOM 1159 C LEU A 77 0.021 13.509 -7.664 1.00 0.00 C ATOM 1160 O LEU A 77 0.549 14.568 -8.001 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.211 12.942 -6.686 1.00 0.00 C ATOM 1162 CG LEU A 77 -2.975 12.303 -5.526 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.473 12.497 -5.702 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.636 10.824 -5.415 1.00 0.00 C ATOM 0 H LEU A 77 -1.608 15.300 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.309 12.692 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.786 13.795 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.162 12.222 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.672 12.795 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.000 12.036 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.701 13.562 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.793 12.032 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.189 10.385 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.910 10.318 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.566 10.708 -5.241 1.00 0.00 H new ATOM 1176 N ALA A 78 0.112 12.394 -8.381 1.00 0.00 N ATOM 1177 CA ALA A 78 0.854 12.351 -9.635 1.00 0.00 C ATOM 1178 C ALA A 78 0.198 11.399 -10.629 1.00 0.00 C ATOM 1179 O ALA A 78 -0.598 10.539 -10.249 1.00 0.00 O ATOM 1180 CB ALA A 78 2.297 11.939 -9.380 1.00 0.00 C ATOM 0 H ALA A 78 -0.319 11.509 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 78 0.844 13.351 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.840 11.911 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.769 12.660 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.317 10.951 -8.920 1.00 0.00 H new ATOM 1186 N LEU A 79 0.536 11.558 -11.904 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.022 10.712 -12.954 1.00 0.00 C ATOM 1188 C LEU A 79 0.346 9.249 -12.728 1.00 0.00 C ATOM 1189 O LEU A 79 -0.290 8.347 -13.272 1.00 0.00 O ATOM 1190 CB LEU A 79 0.480 11.170 -14.325 1.00 0.00 C ATOM 1191 CG LEU A 79 0.119 12.601 -14.728 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.938 13.038 -15.933 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.369 12.713 -15.023 1.00 0.00 C ATOM 0 H LEU A 79 1.193 12.264 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.108 10.803 -12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.565 11.071 -14.344 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.085 10.490 -15.080 1.00 0.00 H new ATOM 0 HG LEU A 79 0.354 13.263 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.668 14.058 -16.206 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.999 12.997 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.735 12.372 -16.772 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.607 13.738 -15.308 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.630 12.039 -15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.938 12.442 -14.133 1.00 0.00 H new ATOM 1205 N LYS A 80 1.376 9.022 -11.920 1.00 0.00 N ATOM 1206 CA LYS A 80 1.827 7.669 -11.618 1.00 0.00 C ATOM 1207 C LYS A 80 1.036 7.078 -10.456 1.00 0.00 C ATOM 1208 O LYS A 80 1.326 5.975 -9.992 1.00 0.00 O ATOM 1209 CB LYS A 80 3.321 7.670 -11.283 1.00 0.00 C ATOM 1210 CG LYS A 80 3.668 8.491 -10.053 1.00 0.00 C ATOM 1211 CD LYS A 80 5.039 9.134 -10.180 1.00 0.00 C ATOM 1212 CE LYS A 80 5.545 9.638 -8.837 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.886 10.274 -8.953 1.00 0.00 N ATOM 0 H LYS A 80 1.914 9.758 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 80 1.659 7.052 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.651 6.643 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.876 8.058 -12.137 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.914 9.265 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.645 7.852 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.745 8.410 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.989 9.963 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.836 10.358 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.597 8.807 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.196 10.604 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.569 9.580 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.831 11.083 -9.605 1.00 0.00 H new ATOM 1227 N ASP A 81 0.035 7.817 -9.991 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.800 7.365 -8.884 1.00 0.00 C ATOM 1229 C ASP A 81 -2.096 6.747 -9.399 1.00 0.00 C ATOM 1230 O ASP A 81 -2.733 5.951 -8.709 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.114 8.530 -7.944 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.250 8.089 -6.501 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.210 7.844 -5.854 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.397 7.990 -6.017 1.00 0.00 O ATOM 0 H ASP A 81 -0.218 8.732 -10.364 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.249 6.603 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.324 9.277 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.039 9.011 -8.263 1.00 0.00 H new ATOM 1239 N SER A 82 -2.482 7.121 -10.615 1.00 0.00 N ATOM 1240 CA SER A 82 -3.705 6.607 -11.221 1.00 0.00 C ATOM 1241 C SER A 82 -3.739 5.083 -11.168 1.00 0.00 C ATOM 1242 O SER A 82 -2.969 4.409 -11.851 1.00 0.00 O ATOM 1243 CB SER A 82 -3.819 7.081 -12.671 1.00 0.00 C ATOM 1244 OG SER A 82 -2.582 6.950 -13.349 1.00 0.00 O ATOM 0 H SER A 82 -1.966 7.778 -11.200 1.00 0.00 H new ATOM 0 HA SER A 82 -4.552 6.992 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.584 6.501 -13.188 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.140 8.122 -12.692 1.00 0.00 H new ATOM 0 HG SER A 82 -2.018 7.728 -13.155 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.639 4.545 -10.350 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.758 3.105 -10.221 1.00 0.00 C ATOM 1252 C GLY A 83 -6.073 2.685 -9.595 1.00 0.00 C ATOM 1253 O GLY A 83 -7.139 2.883 -10.178 1.00 0.00 O ATOM 0 H GLY A 83 -5.288 5.082 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.665 2.646 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.934 2.728 -9.615 1.00 0.00 H new ATOM 1257 N THR A 84 -5.999 2.100 -8.403 1.00 0.00 N ATOM 1258 CA THR A 84 -7.192 1.648 -7.698 1.00 0.00 C ATOM 1259 C THR A 84 -6.936 1.538 -6.199 1.00 0.00 C ATOM 1260 O THR A 84 -6.152 0.700 -5.754 1.00 0.00 O ATOM 1261 CB THR A 84 -7.674 0.284 -8.227 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.773 0.320 -9.655 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.023 -0.082 -7.628 1.00 0.00 C ATOM 0 H THR A 84 -5.125 1.928 -7.906 1.00 0.00 H new ATOM 0 HA THR A 84 -7.967 2.393 -7.878 1.00 0.00 H new ATOM 0 HB THR A 84 -6.947 -0.473 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.929 1.242 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.343 -1.049 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.936 -0.137 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.758 0.677 -7.895 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.602 2.389 -5.426 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.448 2.385 -3.977 1.00 0.00 C ATOM 1273 C ILE A 85 -7.933 1.070 -3.376 1.00 0.00 C ATOM 1274 O ILE A 85 -9.105 0.714 -3.499 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.218 3.549 -3.325 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.716 4.888 -3.869 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.074 3.497 -1.812 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.286 5.199 -3.485 1.00 0.00 C ATOM 0 H ILE A 85 -8.253 3.090 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.384 2.505 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.275 3.451 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.799 4.883 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.363 5.685 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.623 4.326 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.475 2.554 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.020 3.574 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.998 6.163 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.201 5.236 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.628 4.422 -3.874 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.024 0.353 -2.725 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.358 -0.924 -2.105 1.00 0.00 C ATOM 1292 C TYR A 86 -7.404 -0.796 -0.585 1.00 0.00 C ATOM 1293 O TYR A 86 -6.426 -1.087 0.104 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.340 -1.992 -2.507 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.565 -2.551 -3.894 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.643 -3.384 -4.163 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.699 -2.244 -4.937 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.852 -3.898 -5.428 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.900 -2.752 -6.206 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.978 -3.578 -6.446 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.183 -4.086 -7.709 1.00 0.00 O ATOM 0 H TYR A 86 -6.050 0.634 -2.613 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.346 -1.222 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.338 -1.565 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.377 -2.808 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.331 -3.635 -3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.854 -1.597 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.694 -4.546 -5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.217 -2.504 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.479 -3.763 -8.310 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.548 -0.359 -0.069 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.723 -0.191 1.369 1.00 0.00 C ATOM 1313 C PHE A 87 -8.626 -1.533 2.088 1.00 0.00 C ATOM 1314 O PHE A 87 -8.959 -2.576 1.526 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.074 0.463 1.666 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.361 0.605 3.134 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.760 1.608 3.877 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.233 -0.264 3.770 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.022 1.740 5.227 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.499 -0.137 5.120 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.893 0.868 5.849 1.00 0.00 C ATOM 0 H PHE A 87 -9.368 -0.115 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.926 0.456 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.102 1.449 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.865 -0.129 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.079 2.294 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.710 -1.050 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.546 2.525 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.179 -0.822 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.100 0.971 6.904 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.166 -1.497 3.335 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.024 -2.711 4.131 1.00 0.00 C ATOM 1333 C GLU A 88 -8.608 -2.517 5.528 1.00 0.00 C ATOM 1334 O GLU A 88 -8.387 -1.489 6.167 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.550 -3.109 4.234 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.153 -4.222 3.278 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.706 -4.645 3.445 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.269 -4.819 4.602 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.011 -4.801 2.419 1.00 0.00 O ATOM 0 H GLU A 88 -7.886 -0.642 3.815 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.575 -3.509 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.931 -2.234 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.338 -3.426 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.801 -5.084 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.315 -3.890 2.252 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.355 -3.512 5.993 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.971 -3.453 7.313 1.00 0.00 C ATOM 1348 C ALA A 89 -10.447 -4.831 7.759 1.00 0.00 C ATOM 1349 O ALA A 89 -11.511 -5.294 7.350 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.129 -2.467 7.312 1.00 0.00 C ATOM 0 H ALA A 89 -9.549 -4.369 5.475 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.218 -3.111 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.579 -2.434 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.762 -1.475 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.876 -2.784 6.585 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.650 -5.484 8.600 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.008 -6.804 9.087 1.00 0.00 C ATOM 1358 C GLY A 90 -9.896 -7.868 8.013 1.00 0.00 C ATOM 1359 O GLY A 90 -8.800 -8.170 7.541 1.00 0.00 O ATOM 0 H GLY A 90 -8.764 -5.123 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.361 -7.067 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.029 -6.783 9.468 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.032 -8.438 7.628 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.058 -9.476 6.603 1.00 0.00 C ATOM 1365 C ASP A 91 -11.765 -8.980 5.346 1.00 0.00 C ATOM 1366 O ASP A 91 -12.233 -9.775 4.532 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.754 -10.730 7.134 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.267 -11.994 6.454 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.039 -12.223 6.437 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.113 -12.754 5.938 1.00 0.00 O ATOM 0 H ASP A 91 -11.947 -8.199 8.010 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.028 -9.724 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.583 -10.810 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.830 -10.634 6.988 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.839 -7.661 5.195 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.491 -7.060 4.038 1.00 0.00 C ATOM 1377 C GLN A 92 -11.500 -6.237 3.222 1.00 0.00 C ATOM 1378 O GLN A 92 -10.319 -6.155 3.560 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.659 -6.179 4.484 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.803 -6.958 5.111 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.564 -7.794 4.101 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.296 -7.264 3.265 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.393 -9.109 4.171 1.00 0.00 N ATOM 0 H GLN A 92 -11.455 -6.989 5.859 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.872 -7.864 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.295 -5.443 5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.036 -5.626 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.409 -7.608 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.490 -6.262 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.777 -9.506 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.878 -9.722 3.516 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.988 -5.629 2.145 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.145 -4.814 1.280 1.00 0.00 C ATOM 1394 C ARG A 93 -11.977 -4.124 0.203 1.00 0.00 C ATOM 1395 O ARG A 93 -12.644 -4.780 -0.596 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.062 -5.675 0.628 1.00 0.00 C ATOM 1397 CG ARG A 93 -9.111 -4.889 -0.260 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.484 -5.774 -1.326 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.461 -6.208 -2.321 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.131 -6.711 -3.505 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.855 -6.843 -3.840 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.078 -7.083 -4.357 1.00 0.00 N ATOM 0 H ARG A 93 -12.963 -5.686 1.851 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.670 -4.049 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.488 -6.174 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.538 -6.455 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.650 -4.070 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.327 -4.442 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.679 -5.230 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.035 -6.648 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.452 -6.120 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.124 -6.558 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.604 -7.230 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.061 -6.983 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.823 -7.469 -5.266 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.934 -2.795 0.190 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.683 -2.017 -0.789 1.00 0.00 C ATOM 1418 C ALA A 94 -11.828 -1.706 -2.013 1.00 0.00 C ATOM 1419 O ALA A 94 -10.601 -1.782 -1.961 1.00 0.00 O ATOM 1420 CB ALA A 94 -13.194 -0.729 -0.160 1.00 0.00 C ATOM 0 H ALA A 94 -11.389 -2.236 0.846 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.535 -2.613 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.752 -0.158 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.847 -0.968 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.350 -0.137 0.194 1.00 0.00 H new ATOM 1426 N SER A 95 -12.485 -1.357 -3.115 1.00 0.00 N ATOM 1427 CA SER A 95 -11.785 -1.039 -4.354 1.00 0.00 C ATOM 1428 C SER A 95 -12.474 0.108 -5.088 1.00 0.00 C ATOM 1429 O SER A 95 -13.661 0.033 -5.404 1.00 0.00 O ATOM 1430 CB SER A 95 -11.719 -2.272 -5.257 1.00 0.00 C ATOM 1431 OG SER A 95 -12.866 -3.088 -5.091 1.00 0.00 O ATOM 0 H SER A 95 -13.501 -1.287 -3.175 1.00 0.00 H new ATOM 0 HA SER A 95 -10.771 -0.728 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.638 -1.960 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.823 -2.848 -5.026 1.00 0.00 H new ATOM 0 HG SER A 95 -12.800 -3.868 -5.680 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.719 1.168 -5.356 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.255 2.330 -6.054 1.00 0.00 C ATOM 1439 C ALA A 96 -11.368 2.720 -7.232 1.00 0.00 C ATOM 1440 O ALA A 96 -10.145 2.597 -7.167 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.405 3.501 -5.094 1.00 0.00 C ATOM 0 H ALA A 96 -10.735 1.246 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.238 2.066 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.806 4.361 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.085 3.226 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.431 3.756 -4.676 1.00 0.00 H new ATOM 1447 N ALA A 97 -11.992 3.190 -8.307 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.259 3.598 -9.498 1.00 0.00 C ATOM 1449 C ALA A 97 -10.595 4.956 -9.295 1.00 0.00 C ATOM 1450 O ALA A 97 -11.238 5.999 -9.421 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.188 3.638 -10.702 1.00 0.00 C ATOM 0 H ALA A 97 -13.004 3.297 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.475 2.863 -9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.627 3.944 -11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.612 2.648 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.992 4.351 -10.518 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.305 4.937 -8.979 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.553 6.167 -8.757 1.00 0.00 C ATOM 1459 C LEU A 98 -7.973 6.694 -10.066 1.00 0.00 C ATOM 1460 O LEU A 98 -6.892 6.283 -10.488 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.428 5.926 -7.749 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.342 7.001 -7.685 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.964 8.380 -7.529 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.377 6.716 -6.544 1.00 0.00 C ATOM 0 H LEU A 98 -8.758 4.083 -8.871 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.238 6.915 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.871 5.826 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.954 4.973 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.783 6.982 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.176 9.132 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.614 8.584 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.549 8.414 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.611 7.491 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.922 6.707 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.906 5.746 -6.700 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.698 7.609 -10.702 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.256 8.193 -11.963 1.00 0.00 C ATOM 1478 C ARG A 99 -7.550 9.525 -11.726 1.00 0.00 C ATOM 1479 O ARG A 99 -7.945 10.303 -10.857 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.446 8.394 -12.902 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.131 7.098 -13.303 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.183 7.333 -14.377 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.810 6.087 -14.810 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.908 6.038 -15.556 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.497 7.159 -15.950 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.419 4.866 -15.910 1.00 0.00 N ATOM 0 H ARG A 99 -9.594 7.962 -10.365 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.550 7.504 -12.426 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.174 9.045 -12.418 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.106 8.909 -13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.387 6.390 -13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.598 6.646 -12.428 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.947 8.010 -13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.723 7.824 -15.234 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.382 5.207 -14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.107 8.062 -15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.340 7.118 -16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.969 4.002 -15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.262 4.829 -16.483 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.504 9.782 -12.505 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.744 11.019 -12.381 1.00 0.00 C ATOM 1502 C VAL A 100 -5.161 11.443 -13.724 1.00 0.00 C ATOM 1503 O VAL A 100 -4.230 10.820 -14.235 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.599 10.875 -11.360 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.750 12.137 -11.328 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.154 10.560 -9.979 1.00 0.00 C ATOM 0 H VAL A 100 -6.164 9.149 -13.229 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.439 11.783 -12.032 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.962 10.046 -11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.947 12.017 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.323 12.313 -12.315 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.371 12.986 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.332 10.462 -9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.814 11.366 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.714 9.626 -10.016 1.00 0.00 H new ATOM 1516 N THR A 101 -5.715 12.509 -14.294 1.00 0.00 N ATOM 1517 CA THR A 101 -5.252 13.017 -15.579 1.00 0.00 C ATOM 1518 C THR A 101 -4.239 14.142 -15.392 1.00 0.00 C ATOM 1519 O THR A 101 -4.127 14.715 -14.309 1.00 0.00 O ATOM 1520 CB THR A 101 -6.424 13.534 -16.434 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.983 14.710 -15.840 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.501 12.469 -16.576 1.00 0.00 C ATOM 0 H THR A 101 -6.486 13.037 -13.885 1.00 0.00 H new ATOM 0 HA THR A 101 -4.775 12.184 -16.095 1.00 0.00 H new ATOM 0 HB THR A 101 -6.042 13.776 -17.426 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.726 15.033 -16.391 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.318 12.857 -17.184 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.079 11.586 -17.056 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.879 12.200 -15.590 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.505 14.453 -16.456 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.501 15.510 -16.408 1.00 0.00 C ATOM 1532 C GLU A 102 -3.099 16.803 -15.862 1.00 0.00 C ATOM 1533 O GLU A 102 -4.315 16.924 -15.713 1.00 0.00 O ATOM 1534 CB GLU A 102 -1.917 15.753 -17.801 1.00 0.00 C ATOM 1535 CG GLU A 102 -0.684 14.917 -18.098 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.384 14.827 -19.582 1.00 0.00 C ATOM 1537 OE1 GLU A 102 0.203 15.784 -20.129 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.736 13.798 -20.196 1.00 0.00 O ATOM 0 H GLU A 102 -3.587 13.989 -17.361 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.703 15.188 -15.739 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.680 15.537 -18.549 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.663 16.808 -17.900 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.175 15.347 -17.583 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.825 13.913 -17.698 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.235 17.768 -15.565 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.676 19.054 -15.037 1.00 0.00 C ATOM 1547 C LYS A 103 -1.903 20.200 -15.681 1.00 0.00 C ATOM 1548 O LYS A 103 -0.829 20.013 -16.253 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.494 19.093 -13.518 1.00 0.00 C ATOM 1550 CG LYS A 103 -1.224 19.798 -13.075 1.00 0.00 C ATOM 1551 CD LYS A 103 0.017 19.026 -13.492 1.00 0.00 C ATOM 1552 CE LYS A 103 1.108 19.956 -13.999 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.449 19.576 -13.476 1.00 0.00 N ATOM 0 H LYS A 103 -1.225 17.684 -15.681 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.733 19.173 -15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.352 19.594 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.485 18.072 -13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.193 20.799 -13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.232 19.918 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.392 18.452 -12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.243 18.310 -14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.124 19.936 -15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.879 20.980 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.165 20.234 -13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.441 19.619 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.679 18.608 -13.780 1.00 0.00 H new