USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot -68:sc= 0.933 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.795 USER MOD Single : A 28 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.337 (180deg=-2.14!) USER MOD Single : A 42 MET CE :methyl -146:sc= 0 (180deg=-1.2) USER MOD Single : A 43 MET CE :methyl 172:sc= 0 (180deg=-0.0331) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.59! C(o=-1.6!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.010 -17.460 15.836 1.00 0.00 N ATOM 177 CA VAL A 15 0.084 -16.025 16.075 1.00 0.00 C ATOM 178 C VAL A 15 0.529 -15.287 14.818 1.00 0.00 C ATOM 179 O VAL A 15 1.439 -15.713 14.106 1.00 0.00 O ATOM 180 CB VAL A 15 1.070 -15.711 17.217 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.430 -16.330 16.936 1.00 0.00 C ATOM 182 CG2 VAL A 15 1.189 -14.208 17.419 1.00 0.00 C ATOM 0 HA VAL A 15 -0.912 -15.685 16.359 1.00 0.00 H new ATOM 0 HB VAL A 15 0.684 -16.149 18.137 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.112 -16.097 17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.326 -17.411 16.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.828 -15.926 16.005 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.889 -14.004 18.229 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.551 -13.745 16.501 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.212 -13.796 17.672 1.00 0.00 H new ATOM 192 N PRO A 16 -0.126 -14.151 14.537 1.00 0.00 N ATOM 193 CA PRO A 16 0.186 -13.326 13.365 1.00 0.00 C ATOM 194 C PRO A 16 1.537 -12.632 13.487 1.00 0.00 C ATOM 195 O PRO A 16 2.254 -12.814 14.471 1.00 0.00 O ATOM 196 CB PRO A 16 -0.946 -12.295 13.345 1.00 0.00 C ATOM 197 CG PRO A 16 -1.402 -12.207 14.761 1.00 0.00 C ATOM 198 CD PRO A 16 -1.220 -13.582 15.341 1.00 0.00 C ATOM 0 HA PRO A 16 0.255 -13.921 12.455 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.596 -11.329 12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.756 -12.609 12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.819 -11.470 15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.445 -11.895 14.816 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.961 -13.540 16.399 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.130 -14.176 15.259 1.00 0.00 H new ATOM 206 N VAL A 17 1.880 -11.833 12.481 1.00 0.00 N ATOM 207 CA VAL A 17 3.147 -11.109 12.477 1.00 0.00 C ATOM 208 C VAL A 17 3.013 -9.774 11.754 1.00 0.00 C ATOM 209 O VAL A 17 2.161 -9.609 10.881 1.00 0.00 O ATOM 210 CB VAL A 17 4.262 -11.934 11.809 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.897 -12.886 12.811 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.716 -12.695 10.610 1.00 0.00 C ATOM 0 H VAL A 17 1.299 -11.671 11.659 1.00 0.00 H new ATOM 0 HA VAL A 17 3.414 -10.929 13.519 1.00 0.00 H new ATOM 0 HB VAL A 17 5.034 -11.250 11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.683 -13.460 12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.326 -12.315 13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.138 -13.566 13.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.518 -13.273 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.924 -13.369 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.314 -11.989 9.883 1.00 0.00 H new ATOM 222 N THR A 18 3.863 -8.821 12.123 1.00 0.00 N ATOM 223 CA THR A 18 3.841 -7.498 11.510 1.00 0.00 C ATOM 224 C THR A 18 4.886 -7.385 10.407 1.00 0.00 C ATOM 225 O THR A 18 6.028 -7.817 10.575 1.00 0.00 O ATOM 226 CB THR A 18 4.089 -6.392 12.552 1.00 0.00 C ATOM 227 OG1 THR A 18 3.116 -6.479 13.600 1.00 0.00 O ATOM 228 CG2 THR A 18 4.025 -5.015 11.907 1.00 0.00 C ATOM 0 H THR A 18 4.575 -8.940 12.843 1.00 0.00 H new ATOM 0 HA THR A 18 2.848 -7.366 11.080 1.00 0.00 H new ATOM 0 HB THR A 18 5.086 -6.534 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.233 -6.243 13.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.203 -4.250 12.663 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.786 -4.941 11.130 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.040 -4.866 11.465 1.00 0.00 H new ATOM 236 N ILE A 19 4.492 -6.803 9.280 1.00 0.00 N ATOM 237 CA ILE A 19 5.397 -6.632 8.151 1.00 0.00 C ATOM 238 C ILE A 19 5.608 -5.156 7.833 1.00 0.00 C ATOM 239 O ILE A 19 5.000 -4.284 8.455 1.00 0.00 O ATOM 240 CB ILE A 19 4.868 -7.346 6.893 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.508 -6.774 6.488 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.767 -8.844 7.137 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.089 -7.148 5.084 1.00 0.00 C ATOM 0 H ILE A 19 3.551 -6.442 9.124 1.00 0.00 H new ATOM 0 HA ILE A 19 6.349 -7.078 8.440 1.00 0.00 H new ATOM 0 HB ILE A 19 5.570 -7.177 6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.752 -7.125 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.540 -5.688 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.392 -9.334 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.753 -9.240 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.084 -9.032 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.116 -6.708 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.825 -6.773 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.024 -8.233 5.001 1.00 0.00 H new ATOM 255 N GLU A 20 6.471 -4.882 6.860 1.00 0.00 N ATOM 256 CA GLU A 20 6.760 -3.511 6.459 1.00 0.00 C ATOM 257 C GLU A 20 6.551 -3.326 4.959 1.00 0.00 C ATOM 258 O GLU A 20 7.123 -4.053 4.146 1.00 0.00 O ATOM 259 CB GLU A 20 8.195 -3.138 6.835 1.00 0.00 C ATOM 260 CG GLU A 20 8.334 -2.593 8.246 1.00 0.00 C ATOM 261 CD GLU A 20 9.724 -2.061 8.532 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.062 -0.976 8.015 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.474 -2.730 9.274 1.00 0.00 O ATOM 0 H GLU A 20 6.982 -5.592 6.335 1.00 0.00 H new ATOM 0 HA GLU A 20 6.071 -2.853 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.829 -4.018 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.564 -2.394 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.606 -1.796 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.097 -3.381 8.961 1.00 0.00 H new ATOM 270 N VAL A 21 5.725 -2.349 4.598 1.00 0.00 N ATOM 271 CA VAL A 21 5.438 -2.068 3.196 1.00 0.00 C ATOM 272 C VAL A 21 5.930 -0.679 2.803 1.00 0.00 C ATOM 273 O VAL A 21 5.560 0.319 3.421 1.00 0.00 O ATOM 274 CB VAL A 21 3.931 -2.170 2.899 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.688 -2.265 1.400 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.326 -3.363 3.623 1.00 0.00 C ATOM 0 H VAL A 21 5.243 -1.738 5.257 1.00 0.00 H new ATOM 0 HA VAL A 21 5.967 -2.818 2.608 1.00 0.00 H new ATOM 0 HB VAL A 21 3.443 -1.267 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.617 -2.336 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.086 -1.376 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.187 -3.150 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.260 -3.420 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.816 -4.278 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.468 -3.247 4.697 1.00 0.00 H new ATOM 286 N GLU A 22 6.765 -0.623 1.771 1.00 0.00 N ATOM 287 CA GLU A 22 7.308 0.645 1.295 1.00 0.00 C ATOM 288 C GLU A 22 6.233 1.464 0.587 1.00 0.00 C ATOM 289 O GLU A 22 5.833 1.149 -0.534 1.00 0.00 O ATOM 290 CB GLU A 22 8.483 0.399 0.348 1.00 0.00 C ATOM 291 CG GLU A 22 9.773 0.029 1.062 1.00 0.00 C ATOM 292 CD GLU A 22 10.692 -0.819 0.204 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.245 -1.883 -0.271 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.859 -0.419 0.011 1.00 0.00 O ATOM 0 H GLU A 22 7.081 -1.440 1.248 1.00 0.00 H new ATOM 0 HA GLU A 22 7.660 1.208 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.219 -0.400 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.652 1.296 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.295 0.939 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.535 -0.512 1.978 1.00 0.00 H new ATOM 301 N VAL A 23 5.768 2.519 1.250 1.00 0.00 N ATOM 302 CA VAL A 23 4.741 3.385 0.684 1.00 0.00 C ATOM 303 C VAL A 23 4.953 4.835 1.103 1.00 0.00 C ATOM 304 O VAL A 23 5.193 5.142 2.271 1.00 0.00 O ATOM 305 CB VAL A 23 3.331 2.939 1.116 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.279 3.897 0.578 1.00 0.00 C ATOM 307 CG2 VAL A 23 3.056 1.517 0.651 1.00 0.00 C ATOM 0 H VAL A 23 6.086 2.794 2.179 1.00 0.00 H new ATOM 0 HA VAL A 23 4.823 3.307 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 23 3.281 2.957 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.290 3.566 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.467 4.898 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.326 3.914 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.056 1.219 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.124 1.470 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.791 0.842 1.090 1.00 0.00 H new ATOM 317 N PRO A 24 4.864 5.752 0.127 1.00 0.00 N ATOM 318 CA PRO A 24 5.043 7.187 0.369 1.00 0.00 C ATOM 319 C PRO A 24 3.893 7.787 1.172 1.00 0.00 C ATOM 320 O PRO A 24 2.726 7.482 0.925 1.00 0.00 O ATOM 321 CB PRO A 24 5.078 7.783 -1.040 1.00 0.00 C ATOM 322 CG PRO A 24 4.319 6.815 -1.881 1.00 0.00 C ATOM 323 CD PRO A 24 4.582 5.459 -1.288 1.00 0.00 C ATOM 0 HA PRO A 24 5.938 7.393 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.619 8.772 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.102 7.898 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.253 7.044 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.648 6.858 -2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.721 4.799 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.425 4.966 -1.772 1.00 0.00 H new ATOM 331 N PHE A 25 4.230 8.640 2.133 1.00 0.00 N ATOM 332 CA PHE A 25 3.226 9.282 2.973 1.00 0.00 C ATOM 333 C PHE A 25 2.275 10.129 2.132 1.00 0.00 C ATOM 334 O PHE A 25 1.192 10.500 2.585 1.00 0.00 O ATOM 335 CB PHE A 25 3.899 10.154 4.035 1.00 0.00 C ATOM 336 CG PHE A 25 2.933 10.771 5.004 1.00 0.00 C ATOM 337 CD1 PHE A 25 2.195 11.889 4.651 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.763 10.234 6.270 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.305 12.459 5.541 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.873 10.800 7.165 1.00 0.00 C ATOM 341 CZ PHE A 25 1.144 11.915 6.800 1.00 0.00 C ATOM 0 H PHE A 25 5.191 8.903 2.350 1.00 0.00 H new ATOM 0 HA PHE A 25 2.649 8.500 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.619 9.550 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.461 10.946 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.317 12.320 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.332 9.363 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.735 13.330 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.748 10.371 8.148 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.450 12.360 7.497 1.00 0.00 H new ATOM 351 N ASP A 26 2.688 10.430 0.906 1.00 0.00 N ATOM 352 CA ASP A 26 1.873 11.233 0.001 1.00 0.00 C ATOM 353 C ASP A 26 0.666 10.440 -0.490 1.00 0.00 C ATOM 354 O ASP A 26 -0.294 11.010 -1.011 1.00 0.00 O ATOM 355 CB ASP A 26 2.710 11.702 -1.191 1.00 0.00 C ATOM 356 CG ASP A 26 3.582 12.894 -0.852 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.028 13.992 -0.630 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.820 12.730 -0.807 1.00 0.00 O ATOM 0 H ASP A 26 3.582 10.131 0.516 1.00 0.00 H new ATOM 0 HA ASP A 26 1.514 12.104 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.339 10.881 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.048 11.963 -2.016 1.00 0.00 H new ATOM 363 N LEU A 27 0.720 9.124 -0.322 1.00 0.00 N ATOM 364 CA LEU A 27 -0.368 8.252 -0.749 1.00 0.00 C ATOM 365 C LEU A 27 -1.234 7.840 0.438 1.00 0.00 C ATOM 366 O LEU A 27 -2.420 7.547 0.283 1.00 0.00 O ATOM 367 CB LEU A 27 0.190 7.009 -1.443 1.00 0.00 C ATOM 368 CG LEU A 27 0.807 7.231 -2.825 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.358 5.927 -3.380 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.220 7.827 -3.777 1.00 0.00 C ATOM 0 H LEU A 27 1.507 8.637 0.107 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.989 8.806 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.947 6.566 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.614 6.279 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 27 1.632 7.936 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.793 6.105 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.125 5.541 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.552 5.199 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.236 7.978 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.066 7.146 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.566 8.784 -3.386 1.00 0.00 H new ATOM 382 N HIS A 28 -0.633 7.822 1.624 1.00 0.00 N ATOM 383 CA HIS A 28 -1.349 7.449 2.838 1.00 0.00 C ATOM 384 C HIS A 28 -2.723 8.113 2.884 1.00 0.00 C ATOM 385 O HIS A 28 -3.744 7.439 3.022 1.00 0.00 O ATOM 386 CB HIS A 28 -0.539 7.841 4.074 1.00 0.00 C ATOM 387 CG HIS A 28 0.718 7.045 4.243 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.478 7.075 5.394 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.345 6.191 3.401 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.521 6.275 5.250 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.463 5.728 4.050 1.00 0.00 N ATOM 0 H HIS A 28 0.348 8.061 1.770 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.487 6.368 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.284 8.899 4.011 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.161 7.716 4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.026 5.924 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.289 6.099 5.988 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.140 5.068 3.667 1.00 0.00 H new ATOM 399 N ARG A 29 -2.740 9.436 2.769 1.00 0.00 N ATOM 400 CA ARG A 29 -3.987 10.190 2.799 1.00 0.00 C ATOM 401 C ARG A 29 -5.020 9.571 1.861 1.00 0.00 C ATOM 402 O ARG A 29 -6.219 9.604 2.134 1.00 0.00 O ATOM 403 CB ARG A 29 -3.736 11.648 2.408 1.00 0.00 C ATOM 404 CG ARG A 29 -3.483 11.846 0.923 1.00 0.00 C ATOM 405 CD ARG A 29 -2.919 13.228 0.633 1.00 0.00 C ATOM 406 NE ARG A 29 -3.969 14.237 0.527 1.00 0.00 N ATOM 407 CZ ARG A 29 -3.739 15.509 0.223 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.501 15.925 -0.005 1.00 0.00 N ATOM 409 NH2 ARG A 29 -4.747 16.367 0.146 1.00 0.00 N ATOM 0 H ARG A 29 -1.904 10.009 2.654 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.378 10.156 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.596 12.248 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.879 12.023 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.788 11.086 0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.414 11.709 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.225 13.509 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.349 13.199 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.933 13.949 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.723 15.268 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.326 16.902 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.701 16.050 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.569 17.344 -0.088 1.00 0.00 H new ATOM 423 N TYR A 30 -4.544 9.009 0.756 1.00 0.00 N ATOM 424 CA TYR A 30 -5.426 8.384 -0.224 1.00 0.00 C ATOM 425 C TYR A 30 -5.815 6.976 0.213 1.00 0.00 C ATOM 426 O TYR A 30 -6.961 6.557 0.048 1.00 0.00 O ATOM 427 CB TYR A 30 -4.747 8.336 -1.594 1.00 0.00 C ATOM 428 CG TYR A 30 -4.440 9.703 -2.166 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.340 10.752 -2.030 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.250 9.943 -2.841 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.064 12.001 -2.553 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.966 11.189 -3.365 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.875 12.215 -3.218 1.00 0.00 C ATOM 434 OH TYR A 30 -3.597 13.458 -3.739 1.00 0.00 O ATOM 0 H TYR A 30 -3.553 8.973 0.516 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.332 8.985 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.820 7.769 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.389 7.796 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.271 10.589 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.535 9.142 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.776 12.805 -2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.036 11.359 -3.887 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.719 13.441 -4.175 1.00 0.00 H new ATOM 444 N VAL A 31 -4.853 6.249 0.772 1.00 0.00 N ATOM 445 CA VAL A 31 -5.094 4.888 1.235 1.00 0.00 C ATOM 446 C VAL A 31 -6.090 4.868 2.389 1.00 0.00 C ATOM 447 O VAL A 31 -7.118 4.193 2.322 1.00 0.00 O ATOM 448 CB VAL A 31 -3.787 4.210 1.687 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.060 2.794 2.173 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.769 4.207 0.557 1.00 0.00 C ATOM 0 H VAL A 31 -3.899 6.580 0.915 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.509 4.335 0.392 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.371 4.780 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.125 2.331 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.751 2.825 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.500 2.210 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.852 3.724 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.174 3.662 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.551 5.233 0.261 1.00 0.00 H new ATOM 460 N ILE A 32 -5.779 5.613 3.444 1.00 0.00 N ATOM 461 CA ILE A 32 -6.649 5.681 4.612 1.00 0.00 C ATOM 462 C ILE A 32 -8.093 5.952 4.207 1.00 0.00 C ATOM 463 O ILE A 32 -9.022 5.342 4.735 1.00 0.00 O ATOM 464 CB ILE A 32 -6.188 6.776 5.592 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.743 6.527 6.027 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.111 6.826 6.801 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.138 7.680 6.797 1.00 0.00 C ATOM 0 H ILE A 32 -4.932 6.177 3.514 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.590 4.712 5.107 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.233 7.740 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.707 5.629 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.135 6.331 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.773 7.604 7.485 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.127 7.046 6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.095 5.863 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.113 7.435 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.142 8.575 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.723 7.862 7.698 1.00 0.00 H new ATOM 550 N ILE A 39 -9.186 1.791 3.843 1.00 0.00 N ATOM 551 CA ILE A 39 -8.353 0.679 4.284 1.00 0.00 C ATOM 552 C ILE A 39 -9.204 -0.460 4.836 1.00 0.00 C ATOM 553 O ILE A 39 -8.935 -1.632 4.573 1.00 0.00 O ATOM 554 CB ILE A 39 -7.348 1.123 5.364 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.274 2.025 4.752 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.714 -0.090 6.028 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.275 2.546 5.762 1.00 0.00 C ATOM 0 HA ILE A 39 -7.804 0.329 3.410 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.882 1.691 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.742 1.470 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.757 2.870 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.006 0.240 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.490 -0.697 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.190 -0.683 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.544 3.178 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.796 3.129 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.765 1.707 6.235 1.00 0.00 H new ATOM 569 N ARG A 40 -10.232 -0.106 5.600 1.00 0.00 N ATOM 570 CA ARG A 40 -11.123 -1.100 6.187 1.00 0.00 C ATOM 571 C ARG A 40 -11.446 -2.202 5.183 1.00 0.00 C ATOM 572 O ARG A 40 -11.337 -3.389 5.492 1.00 0.00 O ATOM 573 CB ARG A 40 -12.417 -0.436 6.665 1.00 0.00 C ATOM 574 CG ARG A 40 -12.347 0.073 8.095 1.00 0.00 C ATOM 575 CD ARG A 40 -11.060 0.842 8.350 1.00 0.00 C ATOM 576 NE ARG A 40 -10.891 1.172 9.763 1.00 0.00 N ATOM 577 CZ ARG A 40 -10.043 2.094 10.205 1.00 0.00 C ATOM 578 NH1 ARG A 40 -9.290 2.773 9.351 1.00 0.00 N ATOM 579 NH2 ARG A 40 -9.946 2.338 11.507 1.00 0.00 N ATOM 0 H ARG A 40 -10.468 0.860 5.827 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.614 -1.548 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.654 0.397 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.235 -1.152 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.203 0.717 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.413 -0.768 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.210 0.249 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.063 1.759 7.761 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.455 0.667 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.361 2.588 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.640 3.480 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.523 1.817 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.295 3.046 11.846 1.00 0.00 H new ATOM 593 N LYS A 41 -11.844 -1.803 3.980 1.00 0.00 N ATOM 594 CA LYS A 41 -12.183 -2.756 2.930 1.00 0.00 C ATOM 595 C LYS A 41 -11.222 -3.941 2.940 1.00 0.00 C ATOM 596 O LYS A 41 -11.642 -5.091 3.058 1.00 0.00 O ATOM 597 CB LYS A 41 -12.150 -2.071 1.562 1.00 0.00 C ATOM 598 CG LYS A 41 -12.711 -2.926 0.440 1.00 0.00 C ATOM 599 CD LYS A 41 -13.030 -2.094 -0.791 1.00 0.00 C ATOM 600 CE LYS A 41 -11.771 -1.755 -1.576 1.00 0.00 C ATOM 601 NZ LYS A 41 -11.022 -0.625 -0.961 1.00 0.00 N ATOM 0 H LYS A 41 -11.940 -0.825 3.708 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.190 -3.126 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.716 -1.141 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.121 -1.804 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.992 -3.702 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.614 -3.431 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.723 -2.640 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.531 -1.174 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.127 -2.633 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.040 -1.498 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.716 0.034 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.638 -0.126 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.188 -0.993 -0.460 1.00 0.00 H new ATOM 615 N MET A 42 -9.930 -3.650 2.818 1.00 0.00 N ATOM 616 CA MET A 42 -8.910 -4.692 2.816 1.00 0.00 C ATOM 617 C MET A 42 -8.968 -5.511 4.102 1.00 0.00 C ATOM 618 O MET A 42 -9.175 -6.724 4.067 1.00 0.00 O ATOM 619 CB MET A 42 -7.521 -4.075 2.651 1.00 0.00 C ATOM 620 CG MET A 42 -7.351 -3.296 1.356 1.00 0.00 C ATOM 621 SD MET A 42 -6.056 -2.046 1.463 1.00 0.00 S ATOM 622 CE MET A 42 -4.594 -3.051 1.212 1.00 0.00 C ATOM 0 H MET A 42 -9.566 -2.702 2.719 1.00 0.00 H new ATOM 0 HA MET A 42 -9.105 -5.357 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.325 -3.411 3.493 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.774 -4.867 2.689 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.116 -3.989 0.548 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.295 -2.815 1.099 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.770 -2.649 1.802 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.798 -4.075 1.524 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.322 -3.041 0.156 1.00 0.00 H new ATOM 632 N MET A 43 -8.780 -4.840 5.233 1.00 0.00 N ATOM 633 CA MET A 43 -8.812 -5.507 6.530 1.00 0.00 C ATOM 634 C MET A 43 -9.988 -6.474 6.616 1.00 0.00 C ATOM 635 O MET A 43 -9.942 -7.459 7.353 1.00 0.00 O ATOM 636 CB MET A 43 -8.901 -4.475 7.656 1.00 0.00 C ATOM 637 CG MET A 43 -7.670 -3.589 7.768 1.00 0.00 C ATOM 638 SD MET A 43 -7.392 -2.997 9.447 1.00 0.00 S ATOM 639 CE MET A 43 -8.404 -1.518 9.457 1.00 0.00 C ATOM 0 H MET A 43 -8.604 -3.836 5.278 1.00 0.00 H new ATOM 0 HA MET A 43 -7.889 -6.076 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.777 -3.847 7.494 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.052 -4.994 8.602 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.795 -4.146 7.434 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.779 -2.735 7.099 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.451 -1.116 10.469 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.968 -0.774 8.791 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.410 -1.763 9.117 1.00 0.00 H new ATOM 649 N ASP A 44 -11.042 -6.186 5.859 1.00 0.00 N ATOM 650 CA ASP A 44 -12.230 -7.030 5.851 1.00 0.00 C ATOM 651 C ASP A 44 -12.124 -8.107 4.774 1.00 0.00 C ATOM 652 O ASP A 44 -12.699 -9.186 4.905 1.00 0.00 O ATOM 653 CB ASP A 44 -13.483 -6.184 5.619 1.00 0.00 C ATOM 654 CG ASP A 44 -14.024 -5.588 6.904 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.378 -6.365 7.816 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.092 -4.345 7.000 1.00 0.00 O ATOM 0 H ASP A 44 -11.097 -5.375 5.243 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.305 -7.517 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.252 -5.381 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.253 -6.800 5.155 1.00 0.00 H new ATOM 661 N GLU A 45 -11.384 -7.803 3.712 1.00 0.00 N ATOM 662 CA GLU A 45 -11.204 -8.745 2.613 1.00 0.00 C ATOM 663 C GLU A 45 -10.049 -9.700 2.898 1.00 0.00 C ATOM 664 O GLU A 45 -10.236 -10.914 2.968 1.00 0.00 O ATOM 665 CB GLU A 45 -10.948 -7.993 1.305 1.00 0.00 C ATOM 666 CG GLU A 45 -10.681 -8.906 0.120 1.00 0.00 C ATOM 667 CD GLU A 45 -11.957 -9.395 -0.539 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.453 -8.706 -1.455 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.458 -10.466 -0.139 1.00 0.00 O ATOM 0 H GLU A 45 -10.900 -6.913 3.589 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.119 -9.329 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.811 -7.365 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.095 -7.327 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.078 -8.374 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.096 -9.764 0.452 1.00 0.00 H new ATOM 676 N PHE A 46 -8.854 -9.141 3.061 1.00 0.00 N ATOM 677 CA PHE A 46 -7.668 -9.942 3.336 1.00 0.00 C ATOM 678 C PHE A 46 -7.654 -10.413 4.788 1.00 0.00 C ATOM 679 O PHE A 46 -6.855 -11.269 5.165 1.00 0.00 O ATOM 680 CB PHE A 46 -6.401 -9.136 3.038 1.00 0.00 C ATOM 681 CG PHE A 46 -6.249 -8.774 1.588 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.811 -9.713 0.669 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.544 -7.495 1.145 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.670 -9.384 -0.666 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.405 -7.160 -0.188 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.967 -8.106 -1.095 1.00 0.00 C ATOM 0 H PHE A 46 -8.682 -8.137 3.007 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.694 -10.818 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.412 -8.223 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.531 -9.712 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.577 -10.714 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.886 -6.752 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.328 -10.126 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.638 -6.159 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.857 -7.846 -2.137 1.00 0.00 H new ATOM 696 N GLU A 47 -8.542 -9.843 5.597 1.00 0.00 N ATOM 697 CA GLU A 47 -8.631 -10.203 7.007 1.00 0.00 C ATOM 698 C GLU A 47 -7.309 -9.939 7.721 1.00 0.00 C ATOM 699 O GLU A 47 -6.751 -10.826 8.367 1.00 0.00 O ATOM 700 CB GLU A 47 -9.019 -11.676 7.157 1.00 0.00 C ATOM 701 CG GLU A 47 -10.414 -11.994 6.644 1.00 0.00 C ATOM 702 CD GLU A 47 -10.903 -13.358 7.092 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.317 -14.370 6.654 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.872 -13.411 7.877 1.00 0.00 O ATOM 0 H GLU A 47 -9.209 -9.131 5.300 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.402 -9.583 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.295 -12.290 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.956 -11.954 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.109 -11.230 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.415 -11.951 5.555 1.00 0.00 H new ATOM 711 N VAL A 48 -6.811 -8.712 7.598 1.00 0.00 N ATOM 712 CA VAL A 48 -5.555 -8.330 8.230 1.00 0.00 C ATOM 713 C VAL A 48 -5.677 -6.976 8.921 1.00 0.00 C ATOM 714 O VAL A 48 -6.725 -6.334 8.870 1.00 0.00 O ATOM 715 CB VAL A 48 -4.406 -8.270 7.206 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.833 -9.658 6.965 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.887 -7.648 5.904 1.00 0.00 C ATOM 0 H VAL A 48 -7.259 -7.966 7.066 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.329 -9.095 8.973 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.613 -7.642 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.022 -9.596 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.450 -10.061 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.615 -10.313 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.063 -7.613 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.698 -8.248 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.245 -6.636 6.095 1.00 0.00 H new ATOM 727 N ASN A 49 -4.598 -6.548 9.567 1.00 0.00 N ATOM 728 CA ASN A 49 -4.583 -5.269 10.268 1.00 0.00 C ATOM 729 C ASN A 49 -3.507 -4.349 9.701 1.00 0.00 C ATOM 730 O ASN A 49 -2.321 -4.678 9.722 1.00 0.00 O ATOM 731 CB ASN A 49 -4.346 -5.487 11.765 1.00 0.00 C ATOM 732 CG ASN A 49 -5.594 -5.962 12.484 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.513 -6.502 11.867 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.633 -5.763 13.796 1.00 0.00 N ATOM 0 H ASN A 49 -3.722 -7.068 9.620 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.554 -4.794 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.550 -6.219 11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.003 -4.556 12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.447 -6.062 14.333 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.849 -5.312 14.267 1.00 0.00 H new ATOM 741 N ILE A 50 -3.929 -3.196 9.195 1.00 0.00 N ATOM 742 CA ILE A 50 -3.001 -2.227 8.624 1.00 0.00 C ATOM 743 C ILE A 50 -2.857 -1.006 9.526 1.00 0.00 C ATOM 744 O ILE A 50 -3.844 -0.476 10.035 1.00 0.00 O ATOM 745 CB ILE A 50 -3.456 -1.768 7.226 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.448 -2.947 6.250 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.562 -0.648 6.719 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.098 -2.635 4.920 1.00 0.00 C ATOM 0 H ILE A 50 -4.908 -2.909 9.168 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.036 -2.727 8.537 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.475 -1.388 7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.418 -3.258 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.964 -3.791 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.897 -0.335 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.614 0.198 7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.533 -1.003 6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.056 -3.516 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.138 -2.352 5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.568 -1.812 4.440 1.00 0.00 H new ATOM 760 N HIS A 51 -1.619 -0.563 9.718 1.00 0.00 N ATOM 761 CA HIS A 51 -1.344 0.599 10.557 1.00 0.00 C ATOM 762 C HIS A 51 -0.524 1.637 9.796 1.00 0.00 C ATOM 763 O HIS A 51 0.579 1.351 9.329 1.00 0.00 O ATOM 764 CB HIS A 51 -0.602 0.175 11.825 1.00 0.00 C ATOM 765 CG HIS A 51 -1.511 -0.220 12.947 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.813 0.615 14.001 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.187 -1.372 13.176 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.634 -0.004 14.830 1.00 0.00 C ATOM 769 NE2 HIS A 51 -2.877 -1.211 14.352 1.00 0.00 N ATOM 0 H HIS A 51 -0.790 -0.990 9.305 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.297 1.048 10.836 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.055 -0.662 11.589 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.034 0.996 12.156 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.184 -2.252 12.550 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.038 0.407 15.743 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.480 -1.910 14.786 1.00 0.00 H new ATOM 777 N VAL A 52 -1.070 2.843 9.676 1.00 0.00 N ATOM 778 CA VAL A 52 -0.390 3.924 8.972 1.00 0.00 C ATOM 779 C VAL A 52 0.243 4.904 9.953 1.00 0.00 C ATOM 780 O VAL A 52 -0.376 5.334 10.926 1.00 0.00 O ATOM 781 CB VAL A 52 -1.357 4.688 8.049 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.646 5.855 7.381 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.954 3.752 7.010 1.00 0.00 C ATOM 0 H VAL A 52 -1.982 3.096 10.057 1.00 0.00 H new ATOM 0 HA VAL A 52 0.392 3.466 8.366 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.171 5.087 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.345 6.384 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.271 6.538 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.188 5.481 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.635 4.309 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.155 3.321 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.501 2.953 7.511 1.00 0.00 H new ATOM 793 N PRO A 53 1.506 5.270 9.691 1.00 0.00 N ATOM 794 CA PRO A 53 2.251 6.206 10.539 1.00 0.00 C ATOM 795 C PRO A 53 1.716 7.630 10.439 1.00 0.00 C ATOM 796 O PRO A 53 1.447 8.128 9.346 1.00 0.00 O ATOM 797 CB PRO A 53 3.676 6.131 9.983 1.00 0.00 C ATOM 798 CG PRO A 53 3.508 5.701 8.566 1.00 0.00 C ATOM 799 CD PRO A 53 2.305 4.798 8.548 1.00 0.00 C ATOM 0 HA PRO A 53 2.176 5.947 11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.177 7.097 10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.283 5.420 10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.361 6.561 7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.395 5.177 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.754 4.881 7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.587 3.751 8.660 1.00 0.00 H new ATOM 807 N ALA A 54 1.561 8.281 11.588 1.00 0.00 N ATOM 808 CA ALA A 54 1.060 9.649 11.629 1.00 0.00 C ATOM 809 C ALA A 54 1.997 10.600 10.893 1.00 0.00 C ATOM 810 O ALA A 54 3.124 10.251 10.540 1.00 0.00 O ATOM 811 CB ALA A 54 0.874 10.099 13.070 1.00 0.00 C ATOM 0 H ALA A 54 1.775 7.883 12.502 1.00 0.00 H new ATOM 0 HA ALA A 54 0.094 9.671 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.499 11.122 13.086 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.159 9.443 13.567 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.830 10.054 13.591 1.00 0.00 H new ATOM 817 N PRO A 55 1.524 11.831 10.654 1.00 0.00 N ATOM 818 CA PRO A 55 2.304 12.858 9.958 1.00 0.00 C ATOM 819 C PRO A 55 3.474 13.364 10.793 1.00 0.00 C ATOM 820 O PRO A 55 4.454 13.882 10.258 1.00 0.00 O ATOM 821 CB PRO A 55 1.288 13.980 9.726 1.00 0.00 C ATOM 822 CG PRO A 55 0.271 13.798 10.800 1.00 0.00 C ATOM 823 CD PRO A 55 0.190 12.317 11.047 1.00 0.00 C ATOM 0 HA PRO A 55 2.754 12.475 9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.760 14.961 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.836 13.907 8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.561 14.329 11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.696 14.196 10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.026 12.095 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.598 11.853 10.453 1.00 0.00 H new ATOM 831 N GLU A 56 3.365 13.211 12.110 1.00 0.00 N ATOM 832 CA GLU A 56 4.415 13.654 13.019 1.00 0.00 C ATOM 833 C GLU A 56 5.621 12.721 12.954 1.00 0.00 C ATOM 834 O GLU A 56 6.711 13.064 13.411 1.00 0.00 O ATOM 835 CB GLU A 56 3.885 13.719 14.453 1.00 0.00 C ATOM 836 CG GLU A 56 3.477 12.367 15.013 1.00 0.00 C ATOM 837 CD GLU A 56 2.500 12.483 16.167 1.00 0.00 C ATOM 838 OE1 GLU A 56 2.945 12.789 17.293 1.00 0.00 O ATOM 839 OE2 GLU A 56 1.290 12.270 15.944 1.00 0.00 O ATOM 0 H GLU A 56 2.561 12.784 12.570 1.00 0.00 H new ATOM 0 HA GLU A 56 4.731 14.650 12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.652 14.153 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.026 14.390 14.484 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.027 11.770 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.367 11.833 15.347 1.00 0.00 H new ATOM 846 N LEU A 57 5.416 11.540 12.383 1.00 0.00 N ATOM 847 CA LEU A 57 6.486 10.555 12.256 1.00 0.00 C ATOM 848 C LEU A 57 7.154 10.649 10.889 1.00 0.00 C ATOM 849 O LEU A 57 8.312 10.266 10.726 1.00 0.00 O ATOM 850 CB LEU A 57 5.934 9.144 12.471 1.00 0.00 C ATOM 851 CG LEU A 57 5.165 8.914 13.772 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.439 7.579 13.735 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.106 8.978 14.966 1.00 0.00 C ATOM 0 H LEU A 57 4.519 11.240 12.000 1.00 0.00 H new ATOM 0 HA LEU A 57 7.234 10.767 13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.276 8.902 11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.766 8.441 12.435 1.00 0.00 H new ATOM 0 HG LEU A 57 4.422 9.705 13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.897 7.433 14.670 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.735 7.571 12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.163 6.775 13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.541 8.812 15.884 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.872 8.209 14.867 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.580 9.959 15.004 1.00 0.00 H new ATOM 865 N GLN A 58 6.418 11.165 9.910 1.00 0.00 N ATOM 866 CA GLN A 58 6.940 11.311 8.557 1.00 0.00 C ATOM 867 C GLN A 58 7.575 10.010 8.075 1.00 0.00 C ATOM 868 O GLN A 58 8.669 10.014 7.510 1.00 0.00 O ATOM 869 CB GLN A 58 7.967 12.444 8.504 1.00 0.00 C ATOM 870 CG GLN A 58 7.491 13.727 9.165 1.00 0.00 C ATOM 871 CD GLN A 58 8.582 14.778 9.251 1.00 0.00 C ATOM 872 OE1 GLN A 58 8.923 15.418 8.257 1.00 0.00 O ATOM 873 NE2 GLN A 58 9.133 14.961 10.445 1.00 0.00 N ATOM 0 H GLN A 58 5.458 11.489 10.029 1.00 0.00 H new ATOM 0 HA GLN A 58 6.107 11.554 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.885 12.114 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.214 12.651 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.647 14.129 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.128 13.502 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.819 14.407 11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.871 15.655 10.565 1.00 0.00 H new ATOM 882 N SER A 59 6.881 8.901 8.302 1.00 0.00 N ATOM 883 CA SER A 59 7.379 7.592 7.894 1.00 0.00 C ATOM 884 C SER A 59 6.715 7.138 6.597 1.00 0.00 C ATOM 885 O SER A 59 5.520 7.346 6.394 1.00 0.00 O ATOM 886 CB SER A 59 7.128 6.561 8.997 1.00 0.00 C ATOM 887 OG SER A 59 8.087 5.519 8.950 1.00 0.00 O ATOM 0 H SER A 59 5.973 8.881 8.766 1.00 0.00 H new ATOM 0 HA SER A 59 8.452 7.676 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.165 7.050 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.127 6.143 8.888 1.00 0.00 H new ATOM 0 HG SER A 59 7.905 4.875 9.666 1.00 0.00 H new ATOM 893 N ASP A 60 7.501 6.517 5.725 1.00 0.00 N ATOM 894 CA ASP A 60 6.992 6.032 4.447 1.00 0.00 C ATOM 895 C ASP A 60 6.883 4.511 4.448 1.00 0.00 C ATOM 896 O ASP A 60 6.898 3.878 3.391 1.00 0.00 O ATOM 897 CB ASP A 60 7.899 6.491 3.304 1.00 0.00 C ATOM 898 CG ASP A 60 8.126 7.989 3.311 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.166 8.736 3.030 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.265 8.416 3.598 1.00 0.00 O ATOM 0 H ASP A 60 8.493 6.337 5.879 1.00 0.00 H new ATOM 0 HA ASP A 60 5.996 6.449 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.859 5.981 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.456 6.198 2.352 1.00 0.00 H new ATOM 905 N ILE A 61 6.776 3.930 5.639 1.00 0.00 N ATOM 906 CA ILE A 61 6.665 2.485 5.776 1.00 0.00 C ATOM 907 C ILE A 61 5.420 2.101 6.569 1.00 0.00 C ATOM 908 O ILE A 61 5.280 2.466 7.737 1.00 0.00 O ATOM 909 CB ILE A 61 7.905 1.887 6.467 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.167 2.631 6.027 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.022 0.403 6.154 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.608 2.296 4.620 1.00 0.00 C ATOM 0 H ILE A 61 6.764 4.440 6.523 1.00 0.00 H new ATOM 0 HA ILE A 61 6.590 2.078 4.768 1.00 0.00 H new ATOM 0 HB ILE A 61 7.794 2.003 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.989 3.704 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.977 2.396 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.903 -0.005 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.132 -0.115 6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.115 0.265 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.508 2.860 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.818 1.229 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.816 2.557 3.918 1.00 0.00 H new ATOM 924 N ILE A 62 4.521 1.361 5.929 1.00 0.00 N ATOM 925 CA ILE A 62 3.290 0.926 6.577 1.00 0.00 C ATOM 926 C ILE A 62 3.464 -0.443 7.225 1.00 0.00 C ATOM 927 O ILE A 62 4.072 -1.342 6.647 1.00 0.00 O ATOM 928 CB ILE A 62 2.120 0.863 5.578 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.650 2.274 5.219 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.973 0.047 6.156 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.620 2.305 4.111 1.00 0.00 C ATOM 0 H ILE A 62 4.622 1.050 4.963 1.00 0.00 H new ATOM 0 HA ILE A 62 3.061 1.663 7.346 1.00 0.00 H new ATOM 0 HB ILE A 62 2.465 0.373 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.230 2.745 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.512 2.870 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.154 0.012 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.316 -0.966 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.626 0.510 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.333 3.337 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.043 1.863 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.259 1.737 4.415 1.00 0.00 H new ATOM 943 N ALA A 63 2.925 -0.594 8.431 1.00 0.00 N ATOM 944 CA ALA A 63 3.018 -1.854 9.157 1.00 0.00 C ATOM 945 C ALA A 63 1.723 -2.651 9.040 1.00 0.00 C ATOM 946 O ALA A 63 0.644 -2.151 9.362 1.00 0.00 O ATOM 947 CB ALA A 63 3.351 -1.597 10.620 1.00 0.00 C ATOM 0 H ALA A 63 2.419 0.141 8.925 1.00 0.00 H new ATOM 0 HA ALA A 63 3.819 -2.444 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.417 -2.547 11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.305 -1.075 10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.569 -0.985 11.069 1.00 0.00 H new ATOM 953 N ILE A 64 1.837 -3.891 8.579 1.00 0.00 N ATOM 954 CA ILE A 64 0.675 -4.757 8.419 1.00 0.00 C ATOM 955 C ILE A 64 0.804 -6.013 9.276 1.00 0.00 C ATOM 956 O ILE A 64 1.723 -6.812 9.091 1.00 0.00 O ATOM 957 CB ILE A 64 0.478 -5.170 6.950 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.616 -3.953 6.033 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.881 -5.829 6.762 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.505 -4.288 4.562 1.00 0.00 C ATOM 0 H ILE A 64 2.723 -4.319 8.309 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.193 -4.184 8.745 1.00 0.00 H new ATOM 0 HB ILE A 64 1.250 -5.892 6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.154 -3.225 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.579 -3.477 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.005 -6.115 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.945 -6.716 7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.667 -5.128 7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.612 -3.378 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.291 -4.992 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.469 -4.736 4.363 1.00 0.00 H new ATOM 972 N THR A 65 -0.124 -6.182 10.212 1.00 0.00 N ATOM 973 CA THR A 65 -0.115 -7.341 11.097 1.00 0.00 C ATOM 974 C THR A 65 -1.088 -8.409 10.612 1.00 0.00 C ATOM 975 O THR A 65 -2.192 -8.101 10.166 1.00 0.00 O ATOM 976 CB THR A 65 -0.479 -6.948 12.541 1.00 0.00 C ATOM 977 OG1 THR A 65 0.405 -5.922 13.007 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.398 -8.153 13.466 1.00 0.00 C ATOM 0 H THR A 65 -0.892 -5.531 10.377 1.00 0.00 H new ATOM 0 HA THR A 65 0.898 -7.743 11.083 1.00 0.00 H new ATOM 0 HB THR A 65 -1.503 -6.574 12.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.166 -5.677 13.925 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.659 -7.851 14.480 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.093 -8.921 13.125 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.616 -8.552 13.456 1.00 0.00 H new ATOM 986 N GLY A 66 -0.671 -9.668 10.704 1.00 0.00 N ATOM 987 CA GLY A 66 -1.519 -10.764 10.271 1.00 0.00 C ATOM 988 C GLY A 66 -0.728 -12.019 9.955 1.00 0.00 C ATOM 989 O GLY A 66 0.499 -12.031 10.060 1.00 0.00 O ATOM 0 H GLY A 66 0.239 -9.949 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.249 -10.985 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.079 -10.459 9.387 1.00 0.00 H new ATOM 993 N LEU A 67 -1.432 -13.077 9.569 1.00 0.00 N ATOM 994 CA LEU A 67 -0.788 -14.344 9.237 1.00 0.00 C ATOM 995 C LEU A 67 0.036 -14.218 7.960 1.00 0.00 C ATOM 996 O LEU A 67 -0.413 -13.632 6.975 1.00 0.00 O ATOM 997 CB LEU A 67 -1.838 -15.444 9.074 1.00 0.00 C ATOM 998 CG LEU A 67 -2.498 -15.940 10.362 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.526 -17.017 10.055 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.448 -16.462 11.332 1.00 0.00 C ATOM 0 H LEU A 67 -2.448 -13.083 9.478 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.118 -14.608 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.619 -15.077 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.370 -16.295 8.579 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.012 -15.101 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.985 -17.357 10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.295 -16.610 9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.037 -17.857 9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.935 -16.811 12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.906 -17.288 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.750 -15.662 11.578 1.00 0.00 H new ATOM 1012 N ALA A 68 1.243 -14.774 7.984 1.00 0.00 N ATOM 1013 CA ALA A 68 2.127 -14.729 6.826 1.00 0.00 C ATOM 1014 C ALA A 68 1.348 -14.924 5.531 1.00 0.00 C ATOM 1015 O ALA A 68 1.766 -14.463 4.469 1.00 0.00 O ATOM 1016 CB ALA A 68 3.217 -15.783 6.953 1.00 0.00 C ATOM 0 H ALA A 68 1.631 -15.261 8.792 1.00 0.00 H new ATOM 0 HA ALA A 68 2.592 -13.743 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.870 -15.738 6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.801 -15.596 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.762 -16.771 7.015 1.00 0.00 H new ATOM 1022 N ALA A 69 0.214 -15.610 5.626 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.624 -15.865 4.461 1.00 0.00 C ATOM 1024 C ALA A 69 -1.458 -14.638 4.106 1.00 0.00 C ATOM 1025 O ALA A 69 -1.564 -14.265 2.939 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.526 -17.065 4.712 1.00 0.00 C ATOM 0 H ALA A 69 -0.145 -15.999 6.498 1.00 0.00 H new ATOM 0 HA ALA A 69 0.028 -16.086 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.146 -17.244 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.914 -17.945 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.165 -16.866 5.573 1.00 0.00 H new ATOM 1032 N ASN A 70 -2.051 -14.018 5.122 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.877 -12.834 4.915 1.00 0.00 C ATOM 1034 C ASN A 70 -2.020 -11.632 4.532 1.00 0.00 C ATOM 1035 O ASN A 70 -2.473 -10.733 3.823 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.678 -12.520 6.180 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.263 -13.765 6.819 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.129 -14.868 6.289 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.914 -13.593 7.964 1.00 0.00 N ATOM 0 H ASN A 70 -1.975 -14.315 6.095 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.567 -13.041 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.033 -12.015 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.484 -11.828 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.328 -14.394 8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.000 -12.660 8.366 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.778 -11.623 5.005 1.00 0.00 N ATOM 1047 CA LEU A 71 0.144 -10.532 4.711 1.00 0.00 C ATOM 1048 C LEU A 71 0.566 -10.554 3.246 1.00 0.00 C ATOM 1049 O LEU A 71 0.769 -9.507 2.631 1.00 0.00 O ATOM 1050 CB LEU A 71 1.378 -10.625 5.610 1.00 0.00 C ATOM 1051 CG LEU A 71 1.109 -10.842 7.100 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.346 -11.393 7.791 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.662 -9.544 7.756 1.00 0.00 C ATOM 0 H LEU A 71 -0.387 -12.359 5.593 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.371 -9.592 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.003 -11.443 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.956 -9.708 5.495 1.00 0.00 H new ATOM 0 HG LEU A 71 0.306 -11.572 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.136 -11.541 8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.621 -12.346 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.170 -10.688 7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.475 -9.717 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.443 -8.792 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.253 -9.192 7.279 1.00 0.00 H new ATOM 1065 N ASP A 72 0.693 -11.755 2.691 1.00 0.00 N ATOM 1066 CA ASP A 72 1.088 -11.915 1.295 1.00 0.00 C ATOM 1067 C ASP A 72 0.016 -11.362 0.362 1.00 0.00 C ATOM 1068 O ASP A 72 0.279 -10.466 -0.441 1.00 0.00 O ATOM 1069 CB ASP A 72 1.344 -13.390 0.982 1.00 0.00 C ATOM 1070 CG ASP A 72 2.760 -13.815 1.319 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.692 -13.021 1.076 1.00 0.00 O ATOM 1072 OD2 ASP A 72 2.936 -14.943 1.826 1.00 0.00 O ATOM 0 H ASP A 72 0.528 -12.632 3.186 1.00 0.00 H new ATOM 0 HA ASP A 72 2.008 -11.353 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.640 -14.005 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.155 -13.572 -0.076 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.194 -11.904 0.470 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.304 -11.466 -0.366 1.00 0.00 C ATOM 1079 C ARG A 73 -2.575 -9.977 -0.175 1.00 0.00 C ATOM 1080 O ARG A 73 -2.787 -9.246 -1.142 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.564 -12.270 -0.038 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.838 -12.394 1.452 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.157 -13.100 1.720 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.009 -14.553 1.727 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.000 -15.393 2.006 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.205 -14.925 2.300 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.786 -16.701 1.993 1.00 0.00 N ATOM 0 H ARG A 73 -1.429 -12.647 1.128 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.031 -11.637 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.421 -11.798 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.469 -13.268 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.026 -12.945 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.857 -11.402 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.555 -12.772 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.883 -12.813 0.959 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.094 -14.945 1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.372 -13.919 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.965 -15.571 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.860 -17.064 1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.548 -17.345 2.207 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.566 -9.534 1.078 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.810 -8.133 1.395 1.00 0.00 C ATOM 1103 C ALA A 74 -1.686 -7.248 0.865 1.00 0.00 C ATOM 1104 O ALA A 74 -1.923 -6.328 0.081 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.964 -7.950 2.898 1.00 0.00 C ATOM 0 H ALA A 74 -2.392 -10.126 1.890 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.737 -7.831 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.146 -6.898 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.805 -8.546 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.052 -8.274 3.399 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.463 -7.530 1.299 1.00 0.00 N ATOM 1112 CA LYS A 75 0.698 -6.760 0.869 1.00 0.00 C ATOM 1113 C LYS A 75 0.775 -6.695 -0.653 1.00 0.00 C ATOM 1114 O LYS A 75 1.188 -5.684 -1.221 1.00 0.00 O ATOM 1115 CB LYS A 75 1.982 -7.378 1.428 1.00 0.00 C ATOM 1116 CG LYS A 75 3.221 -6.535 1.182 1.00 0.00 C ATOM 1117 CD LYS A 75 4.493 -7.311 1.481 1.00 0.00 C ATOM 1118 CE LYS A 75 5.680 -6.754 0.712 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.967 -7.013 1.414 1.00 0.00 N ATOM 0 H LYS A 75 -0.250 -8.287 1.949 1.00 0.00 H new ATOM 0 HA LYS A 75 0.592 -5.746 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.864 -7.531 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.127 -8.361 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.234 -6.200 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.184 -5.642 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.701 -7.273 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.350 -8.360 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.712 -7.202 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.552 -5.680 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.752 -6.618 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.947 -6.564 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.102 -8.038 1.524 1.00 0.00 H new ATOM 1133 N ALA A 76 0.373 -7.779 -1.308 1.00 0.00 N ATOM 1134 CA ALA A 76 0.392 -7.844 -2.764 1.00 0.00 C ATOM 1135 C ALA A 76 -0.583 -6.841 -3.371 1.00 0.00 C ATOM 1136 O ALA A 76 -0.362 -6.333 -4.470 1.00 0.00 O ATOM 1137 CB ALA A 76 0.063 -9.253 -3.235 1.00 0.00 C ATOM 0 H ALA A 76 0.030 -8.625 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 76 1.396 -7.586 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.081 -9.286 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.801 -9.951 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.929 -9.533 -2.880 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.663 -6.560 -2.648 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.655 -5.619 -3.133 1.00 0.00 C ATOM 1145 C GLY A 77 -2.215 -4.177 -2.973 1.00 0.00 C ATOM 1146 O GLY A 77 -2.438 -3.350 -3.858 1.00 0.00 O ATOM 0 H GLY A 77 -1.868 -6.967 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.857 -5.819 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.590 -5.772 -2.594 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.590 -3.874 -1.841 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.117 -2.521 -1.567 1.00 0.00 C ATOM 1152 C LEU A 78 -0.040 -2.108 -2.564 1.00 0.00 C ATOM 1153 O LEU A 78 -0.187 -1.115 -3.279 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.571 -2.430 -0.141 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.490 -1.025 0.458 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.820 -0.304 0.311 1.00 0.00 C ATOM 1157 CD2 LEU A 78 -0.077 -1.092 1.921 1.00 0.00 C ATOM 0 H LEU A 78 -1.399 -4.546 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.961 -1.839 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.197 -3.044 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.427 -2.868 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 78 0.267 -0.462 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.743 0.694 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.075 -0.223 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.597 -0.865 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.024 -0.083 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.811 -1.673 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.900 -1.568 2.002 1.00 0.00 H new ATOM 1169 N LEU A 79 1.044 -2.876 -2.607 1.00 0.00 N ATOM 1170 CA LEU A 79 2.147 -2.591 -3.519 1.00 0.00 C ATOM 1171 C LEU A 79 1.627 -2.186 -4.894 1.00 0.00 C ATOM 1172 O LEU A 79 2.049 -1.177 -5.457 1.00 0.00 O ATOM 1173 CB LEU A 79 3.059 -3.812 -3.646 1.00 0.00 C ATOM 1174 CG LEU A 79 3.905 -4.148 -2.417 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.502 -5.541 -2.545 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.003 -3.112 -2.226 1.00 0.00 C ATOM 0 H LEU A 79 1.183 -3.700 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 79 2.719 -1.759 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.442 -4.678 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.729 -3.654 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 79 3.259 -4.130 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.101 -5.763 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.700 -6.274 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.134 -5.586 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.595 -3.367 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.647 -3.098 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.555 -2.128 -2.089 1.00 0.00 H new ATOM 1188 N GLU A 80 0.703 -2.980 -5.429 1.00 0.00 N ATOM 1189 CA GLU A 80 0.124 -2.704 -6.738 1.00 0.00 C ATOM 1190 C GLU A 80 -0.774 -1.470 -6.686 1.00 0.00 C ATOM 1191 O GLU A 80 -0.973 -0.791 -7.694 1.00 0.00 O ATOM 1192 CB GLU A 80 -0.677 -3.910 -7.233 1.00 0.00 C ATOM 1193 CG GLU A 80 0.174 -5.145 -7.475 1.00 0.00 C ATOM 1194 CD GLU A 80 -0.661 -6.382 -7.747 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.696 -6.559 -7.072 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.278 -7.174 -8.634 1.00 0.00 O ATOM 0 H GLU A 80 0.340 -3.819 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 80 0.941 -2.510 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.449 -4.148 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.187 -3.643 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.837 -4.965 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.807 -5.322 -6.606 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.314 -1.188 -5.505 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.192 -0.039 -5.321 1.00 0.00 C ATOM 1205 C ARG A 81 -1.390 1.259 -5.291 1.00 0.00 C ATOM 1206 O ARG A 81 -1.864 2.304 -5.736 1.00 0.00 O ATOM 1207 CB ARG A 81 -2.993 -0.185 -4.026 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.351 0.497 -4.070 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.352 -0.306 -4.886 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.639 0.376 -4.998 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.720 -0.179 -5.535 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.668 -1.416 -6.008 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.855 0.505 -5.600 1.00 0.00 N ATOM 0 H ARG A 81 -1.159 -1.740 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.881 -0.001 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.135 -1.245 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.414 0.230 -3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.727 0.626 -3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.245 1.493 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.948 -0.484 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.498 -1.282 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.712 1.330 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.797 -1.944 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.499 -1.840 -6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.898 1.457 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.685 0.078 -6.012 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.171 1.184 -4.765 1.00 0.00 N ATOM 1228 CA VAL A 82 0.697 2.351 -4.679 1.00 0.00 C ATOM 1229 C VAL A 82 1.216 2.755 -6.054 1.00 0.00 C ATOM 1230 O VAL A 82 1.303 3.940 -6.374 1.00 0.00 O ATOM 1231 CB VAL A 82 1.895 2.092 -3.746 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.806 3.309 -3.695 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.415 1.715 -2.353 1.00 0.00 C ATOM 0 H VAL A 82 0.237 0.327 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 82 0.095 3.162 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 82 2.469 1.256 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.646 3.107 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.179 3.527 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.247 4.167 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.275 1.536 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.816 2.528 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.809 0.811 -2.409 1.00 0.00 H new ATOM 1243 N LYS A 83 1.558 1.761 -6.866 1.00 0.00 N ATOM 1244 CA LYS A 83 2.066 2.010 -8.210 1.00 0.00 C ATOM 1245 C LYS A 83 0.964 2.546 -9.117 1.00 0.00 C ATOM 1246 O LYS A 83 1.224 3.337 -10.024 1.00 0.00 O ATOM 1247 CB LYS A 83 2.650 0.725 -8.803 1.00 0.00 C ATOM 1248 CG LYS A 83 3.891 0.231 -8.079 1.00 0.00 C ATOM 1249 CD LYS A 83 4.129 -1.249 -8.330 1.00 0.00 C ATOM 1250 CE LYS A 83 5.038 -1.854 -7.271 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.614 -3.155 -7.712 1.00 0.00 N ATOM 0 H LYS A 83 1.493 0.774 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 83 2.853 2.761 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.890 -0.056 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.895 0.897 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.759 0.802 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.784 0.407 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.175 -1.776 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.575 -1.385 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.845 -1.158 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.475 -2.000 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.227 -3.535 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.845 -3.828 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.173 -3.012 -8.577 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.267 2.112 -8.867 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.408 2.549 -9.662 1.00 0.00 C ATOM 1267 C GLU A 84 -1.919 3.903 -9.180 1.00 0.00 C ATOM 1268 O GLU A 84 -2.015 4.856 -9.955 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.532 1.514 -9.596 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.688 1.808 -10.537 1.00 0.00 C ATOM 1271 CD GLU A 84 -4.498 0.570 -10.873 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.914 -0.394 -11.411 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -5.715 0.566 -10.595 1.00 0.00 O ATOM 0 H GLU A 84 -0.500 1.458 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.080 2.651 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.124 0.531 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.910 1.465 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.341 2.552 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.300 2.244 -11.457 1.00 0.00 H new ATOM 1280 N LEU A 85 -2.248 3.982 -7.895 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.751 5.219 -7.307 1.00 0.00 C ATOM 1282 C LEU A 85 -1.877 6.404 -7.705 1.00 0.00 C ATOM 1283 O LEU A 85 -2.376 7.418 -8.193 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.803 5.098 -5.784 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.911 4.208 -5.219 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.583 3.786 -3.795 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -5.250 4.928 -5.268 1.00 0.00 C ATOM 0 H LEU A 85 -2.175 3.203 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.759 5.390 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.844 4.714 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.917 6.097 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.980 3.311 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.383 3.153 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.645 3.231 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.486 4.671 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.027 4.280 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.194 5.842 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.490 5.179 -6.301 1.00 0.00 H new