USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 54 ASN :FLIP amide:sc= -1.8! C(o=-3.1!,f=-1.8!) USER MOD Set 1.2: A 93 SER OG : rot 120:sc= 0 USER MOD Set 2.1: A 31 SER OG : rot -67:sc= 1.15 USER MOD Set 2.2: A 104 SER OG : rot -100:sc= 2.29 USER MOD Single : A 35 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0218 X(o=0.022,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.198 F(o=-3.9!,f=-0.2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.62 F(o=-6.2!,f=-2.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 71 THR OG1 : rot -70:sc= 1.31 USER MOD Single : A 80 SER OG : rot -27:sc= -0.498! USER MOD Single : A 85 SER OG : rot -111:sc= 1.06 USER MOD Single : A 88 TYR OH : rot 149:sc= -0.712! USER MOD Single : A 92 THR OG1 : rot 11:sc= 0.291 USER MOD Single : A 94 SER OG : rot -144:sc= 1.26 USER MOD Single : A 96 SER OG : rot 180:sc= -0.283 USER MOD Single : A 98 SER OG : rot 29:sc= 0.686 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 101 THR OG1 : rot -78:sc= -0.278 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.927 X(o=-0.93,f=-1.3!) USER MOD Single : A 108 SER OG : rot -56:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -13.272 2.655 3.457 1.00 0.00 N ATOM 213 CA GLU A 28 -11.816 2.391 3.503 1.00 0.00 C ATOM 214 C GLU A 28 -11.248 2.938 2.195 1.00 0.00 C ATOM 215 O GLU A 28 -10.884 4.093 2.091 1.00 0.00 O ATOM 216 CB GLU A 28 -11.628 0.869 3.608 1.00 0.00 C ATOM 217 CG GLU A 28 -11.882 0.442 5.063 1.00 0.00 C ATOM 218 CD GLU A 28 -10.706 -0.406 5.555 1.00 0.00 C ATOM 219 OE1 GLU A 28 -10.352 -1.307 4.814 1.00 0.00 O ATOM 220 OE2 GLU A 28 -10.234 -0.100 6.637 1.00 0.00 O ATOM 0 HA GLU A 28 -11.311 2.859 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.317 0.356 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.619 0.591 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.001 1.321 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.809 -0.127 5.130 1.00 0.00 H new ATOM 227 N VAL A 29 -11.068 2.037 1.277 1.00 0.00 N ATOM 228 CA VAL A 29 -10.596 2.426 -0.086 1.00 0.00 C ATOM 229 C VAL A 29 -10.847 1.305 -1.076 1.00 0.00 C ATOM 230 O VAL A 29 -11.698 1.382 -1.939 1.00 0.00 O ATOM 231 CB VAL A 29 -9.119 2.805 -0.106 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.468 2.319 -1.397 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.034 4.333 -0.131 1.00 0.00 C ATOM 0 H VAL A 29 -11.227 1.038 1.408 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.168 3.308 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.624 2.366 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.414 2.596 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.559 1.235 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.966 2.779 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.988 4.639 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.535 4.711 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.518 4.739 0.757 1.00 0.00 H new ATOM 243 N GLU A 30 -10.063 0.277 -0.895 1.00 0.00 N ATOM 244 CA GLU A 30 -10.170 -0.887 -1.811 1.00 0.00 C ATOM 245 C GLU A 30 -9.853 -2.209 -1.117 1.00 0.00 C ATOM 246 O GLU A 30 -8.726 -2.492 -0.760 1.00 0.00 O ATOM 247 CB GLU A 30 -9.195 -0.675 -2.976 1.00 0.00 C ATOM 248 CG GLU A 30 -9.226 -1.904 -3.894 1.00 0.00 C ATOM 249 CD GLU A 30 -10.663 -2.148 -4.365 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.153 -1.285 -5.076 1.00 0.00 O ATOM 251 OE2 GLU A 30 -11.186 -3.182 -3.984 1.00 0.00 O ATOM 0 H GLU A 30 -9.361 0.195 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.200 -0.950 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.469 0.219 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.186 -0.516 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.572 -1.748 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.852 -2.779 -3.362 1.00 0.00 H new ATOM 258 N SER A 31 -10.894 -2.964 -0.915 1.00 0.00 N ATOM 259 CA SER A 31 -10.736 -4.310 -0.290 1.00 0.00 C ATOM 260 C SER A 31 -10.656 -5.353 -1.407 1.00 0.00 C ATOM 261 O SER A 31 -11.643 -5.668 -2.042 1.00 0.00 O ATOM 262 CB SER A 31 -11.946 -4.620 0.590 1.00 0.00 C ATOM 263 OG SER A 31 -12.197 -3.402 1.272 1.00 0.00 O ATOM 0 H SER A 31 -11.852 -2.709 -1.156 1.00 0.00 H new ATOM 0 HA SER A 31 -9.834 -4.329 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.805 -4.927 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.735 -5.431 1.287 1.00 0.00 H new ATOM 0 HG SER A 31 -11.459 -3.214 1.888 1.00 0.00 H new ATOM 269 N LEU A 32 -9.474 -5.862 -1.622 1.00 0.00 N ATOM 270 CA LEU A 32 -9.301 -6.873 -2.707 1.00 0.00 C ATOM 271 C LEU A 32 -8.428 -8.072 -2.304 1.00 0.00 C ATOM 272 O LEU A 32 -7.551 -7.983 -1.466 1.00 0.00 O ATOM 273 CB LEU A 32 -8.660 -6.166 -3.909 1.00 0.00 C ATOM 274 CG LEU A 32 -8.532 -7.151 -5.079 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.931 -7.555 -5.558 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.801 -6.453 -6.231 1.00 0.00 C ATOM 0 H LEU A 32 -8.629 -5.626 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.286 -7.278 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.266 -5.310 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.678 -5.781 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.981 -8.035 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.843 -8.255 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.473 -8.030 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.473 -6.668 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.703 -7.142 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.369 -5.577 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.810 -6.143 -5.898 1.00 0.00 H new ATOM 288 N LEU A 33 -8.717 -9.185 -2.925 1.00 0.00 N ATOM 289 CA LEU A 33 -7.929 -10.419 -2.656 1.00 0.00 C ATOM 290 C LEU A 33 -7.032 -10.727 -3.860 1.00 0.00 C ATOM 291 O LEU A 33 -7.439 -10.618 -4.999 1.00 0.00 O ATOM 292 CB LEU A 33 -8.886 -11.600 -2.407 1.00 0.00 C ATOM 293 CG LEU A 33 -10.261 -11.340 -3.048 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.119 -11.230 -4.571 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.174 -12.531 -2.737 1.00 0.00 C ATOM 0 H LEU A 33 -9.467 -9.291 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.308 -10.267 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.456 -12.514 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.004 -11.757 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.675 -10.413 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.097 -11.046 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.449 -10.406 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.710 -12.160 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.154 -12.364 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.738 -13.441 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.280 -12.636 -1.657 1.00 0.00 H new ATOM 307 N VAL A 34 -5.818 -11.097 -3.566 1.00 0.00 N ATOM 308 CA VAL A 34 -4.851 -11.419 -4.659 1.00 0.00 C ATOM 309 C VAL A 34 -4.413 -12.880 -4.526 1.00 0.00 C ATOM 310 O VAL A 34 -4.305 -13.393 -3.432 1.00 0.00 O ATOM 311 CB VAL A 34 -3.631 -10.489 -4.534 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.276 -9.944 -5.926 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.987 -9.310 -3.618 1.00 0.00 C ATOM 0 H VAL A 34 -5.451 -11.191 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.318 -11.273 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.787 -11.040 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.412 -9.283 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.040 -10.774 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.124 -9.388 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.126 -8.648 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.825 -8.758 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.263 -9.685 -2.633 1.00 0.00 H new ATOM 323 N HIS A 35 -4.147 -13.515 -5.634 1.00 0.00 N ATOM 324 CA HIS A 35 -3.743 -14.950 -5.565 1.00 0.00 C ATOM 325 C HIS A 35 -2.225 -15.122 -5.666 1.00 0.00 C ATOM 326 O HIS A 35 -1.531 -14.283 -6.205 1.00 0.00 O ATOM 327 CB HIS A 35 -4.427 -15.681 -6.721 1.00 0.00 C ATOM 328 CG HIS A 35 -5.930 -15.756 -6.441 1.00 0.00 C ATOM 329 ND1 HIS A 35 -6.815 -16.226 -7.258 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.661 -15.374 -5.329 1.00 0.00 C ATOM 331 CE1 HIS A 35 -7.990 -16.148 -6.719 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.942 -15.624 -5.519 1.00 0.00 N ATOM 0 H HIS A 35 -4.190 -13.112 -6.570 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.046 -15.362 -4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.244 -15.157 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.014 -16.684 -6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.243 -14.935 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.900 -16.475 -7.200 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.717 -15.450 -4.879 1.00 0.00 H new ATOM 340 N PRO A 36 -1.756 -16.224 -5.138 1.00 0.00 N ATOM 341 CA PRO A 36 -0.355 -16.352 -4.676 1.00 0.00 C ATOM 342 C PRO A 36 0.637 -16.191 -5.832 1.00 0.00 C ATOM 343 O PRO A 36 0.490 -16.797 -6.875 1.00 0.00 O ATOM 344 CB PRO A 36 -0.258 -17.759 -4.069 1.00 0.00 C ATOM 345 CG PRO A 36 -1.678 -18.395 -4.140 1.00 0.00 C ATOM 346 CD PRO A 36 -2.581 -17.440 -4.941 1.00 0.00 C ATOM 0 HA PRO A 36 -0.102 -15.574 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.462 -18.365 -4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.089 -17.709 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.635 -19.373 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.078 -18.549 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.875 -17.879 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.499 -17.213 -4.398 1.00 0.00 H new ATOM 354 N GLY A 37 1.627 -15.371 -5.609 1.00 0.00 N ATOM 355 CA GLY A 37 2.651 -15.141 -6.669 1.00 0.00 C ATOM 356 C GLY A 37 2.110 -14.200 -7.752 1.00 0.00 C ATOM 357 O GLY A 37 2.444 -14.332 -8.913 1.00 0.00 O ATOM 0 H GLY A 37 1.772 -14.852 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.551 -14.714 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.937 -16.092 -7.117 1.00 0.00 H new ATOM 361 N ASP A 38 1.287 -13.270 -7.346 1.00 0.00 N ATOM 362 CA ASP A 38 0.700 -12.317 -8.333 1.00 0.00 C ATOM 363 C ASP A 38 1.050 -10.852 -8.023 1.00 0.00 C ATOM 364 O ASP A 38 1.819 -10.550 -7.130 1.00 0.00 O ATOM 365 CB ASP A 38 -0.823 -12.503 -8.308 1.00 0.00 C ATOM 366 CG ASP A 38 -1.457 -11.776 -9.497 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.155 -12.189 -10.607 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.203 -10.850 -9.228 1.00 0.00 O ATOM 0 H ASP A 38 0.997 -13.129 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 38 1.116 -12.533 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.069 -13.564 -8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.230 -12.115 -7.374 1.00 0.00 H new ATOM 373 N LEU A 39 0.455 -9.980 -8.793 1.00 0.00 N ATOM 374 CA LEU A 39 0.698 -8.522 -8.624 1.00 0.00 C ATOM 375 C LEU A 39 -0.483 -7.843 -7.929 1.00 0.00 C ATOM 376 O LEU A 39 -1.609 -7.898 -8.383 1.00 0.00 O ATOM 377 CB LEU A 39 0.887 -7.891 -10.009 1.00 0.00 C ATOM 378 CG LEU A 39 2.087 -8.540 -10.713 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.633 -9.821 -11.422 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.623 -7.564 -11.766 1.00 0.00 C ATOM 0 H LEU A 39 -0.196 -10.221 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 39 1.587 -8.386 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.014 -8.026 -10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.047 -6.817 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 39 2.859 -8.777 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.485 -10.282 -11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.222 -10.516 -10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.868 -9.577 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.477 -8.011 -12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.840 -7.347 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.934 -6.639 -11.280 1.00 0.00 H new ATOM 392 N LEU A 40 -0.170 -7.220 -6.828 1.00 0.00 N ATOM 393 CA LEU A 40 -1.205 -6.490 -6.036 1.00 0.00 C ATOM 394 C LEU A 40 -0.804 -5.012 -5.947 1.00 0.00 C ATOM 395 O LEU A 40 0.336 -4.701 -5.666 1.00 0.00 O ATOM 396 CB LEU A 40 -1.263 -7.115 -4.636 1.00 0.00 C ATOM 397 CG LEU A 40 -1.579 -6.038 -3.586 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.010 -5.529 -3.789 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.473 -6.660 -2.193 1.00 0.00 C ATOM 0 H LEU A 40 0.771 -7.184 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.185 -6.562 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.025 -7.894 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.311 -7.592 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.876 -5.211 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.234 -4.765 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.106 -5.102 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.710 -6.358 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.695 -5.905 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.185 -7.480 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.463 -7.039 -2.040 1.00 0.00 H new ATOM 411 N GLN A 41 -1.733 -4.126 -6.179 1.00 0.00 N ATOM 412 CA GLN A 41 -1.362 -2.682 -6.112 1.00 0.00 C ATOM 413 C GLN A 41 -2.394 -1.801 -5.405 1.00 0.00 C ATOM 414 O GLN A 41 -3.579 -2.068 -5.411 1.00 0.00 O ATOM 415 CB GLN A 41 -1.173 -2.178 -7.539 1.00 0.00 C ATOM 416 CG GLN A 41 -2.413 -2.543 -8.359 1.00 0.00 C ATOM 417 CD GLN A 41 -1.986 -2.706 -9.816 1.00 0.00 C ATOM 418 OE1 GLN A 41 -2.438 -3.591 -10.515 1.00 0.00 O ATOM 419 NE2 GLN A 41 -1.112 -1.873 -10.308 1.00 0.00 N ATOM 0 H GLN A 41 -2.707 -4.329 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.449 -2.612 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.023 -1.098 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.283 -2.624 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.857 -3.466 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.171 -1.765 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.731 -1.129 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.809 -1.965 -11.278 1.00 0.00 H new ATOM 428 N LEU A 42 -1.878 -0.758 -4.812 1.00 0.00 N ATOM 429 CA LEU A 42 -2.729 0.225 -4.088 1.00 0.00 C ATOM 430 C LEU A 42 -2.262 1.613 -4.511 1.00 0.00 C ATOM 431 O LEU A 42 -1.127 1.963 -4.258 1.00 0.00 O ATOM 432 CB LEU A 42 -2.521 0.070 -2.572 1.00 0.00 C ATOM 433 CG LEU A 42 -1.190 -0.646 -2.290 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.629 -0.134 -0.960 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.447 -2.149 -2.165 1.00 0.00 C ATOM 0 H LEU A 42 -0.881 -0.543 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.783 0.070 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.523 1.050 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.346 -0.497 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.486 -0.453 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.316 -0.634 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.464 0.942 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.339 -0.345 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.507 -2.663 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.143 -2.332 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.875 -2.524 -3.095 1.00 0.00 H new ATOM 447 N ARG A 43 -3.113 2.348 -5.174 1.00 0.00 N ATOM 448 CA ARG A 43 -2.703 3.715 -5.609 1.00 0.00 C ATOM 449 C ARG A 43 -3.396 4.763 -4.757 1.00 0.00 C ATOM 450 O ARG A 43 -4.603 4.797 -4.629 1.00 0.00 O ATOM 451 CB ARG A 43 -3.067 3.909 -7.082 1.00 0.00 C ATOM 452 CG ARG A 43 -2.348 5.166 -7.589 1.00 0.00 C ATOM 453 CD ARG A 43 -2.296 5.125 -9.116 1.00 0.00 C ATOM 454 NE ARG A 43 -1.633 6.372 -9.592 1.00 0.00 N ATOM 455 CZ ARG A 43 -0.881 6.349 -10.660 1.00 0.00 C ATOM 456 NH1 ARG A 43 -0.145 5.301 -10.913 1.00 0.00 N ATOM 457 NH2 ARG A 43 -0.887 7.391 -11.447 1.00 0.00 N ATOM 0 H ARG A 43 -4.060 2.068 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.626 3.825 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.768 3.038 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.146 4.015 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.872 6.061 -7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.339 5.215 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.744 4.248 -9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.302 5.048 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.767 7.246 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.158 4.503 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.443 5.280 -11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.470 8.197 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.309 7.399 -12.287 1.00 0.00 H new ATOM 471 N CYS A 44 -2.569 5.618 -4.226 1.00 0.00 N ATOM 472 CA CYS A 44 -3.047 6.704 -3.328 1.00 0.00 C ATOM 473 C CYS A 44 -3.631 7.905 -4.074 1.00 0.00 C ATOM 474 O CYS A 44 -3.976 7.844 -5.238 1.00 0.00 O ATOM 475 CB CYS A 44 -1.853 7.187 -2.510 1.00 0.00 C ATOM 476 SG CYS A 44 -2.155 7.743 -0.817 1.00 0.00 S ATOM 0 H CYS A 44 -1.561 5.609 -4.380 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.847 6.292 -2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.125 6.377 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.386 8.009 -3.053 1.00 0.00 H new ATOM 481 N ARG A 45 -3.711 8.973 -3.329 1.00 0.00 N ATOM 482 CA ARG A 45 -4.253 10.262 -3.853 1.00 0.00 C ATOM 483 C ARG A 45 -3.356 11.412 -3.382 1.00 0.00 C ATOM 484 O ARG A 45 -2.177 11.210 -3.162 1.00 0.00 O ATOM 485 CB ARG A 45 -5.666 10.459 -3.309 1.00 0.00 C ATOM 486 CG ARG A 45 -5.627 10.490 -1.769 1.00 0.00 C ATOM 487 CD ARG A 45 -5.647 9.053 -1.235 1.00 0.00 C ATOM 488 NE ARG A 45 -6.584 8.277 -2.092 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.226 7.110 -2.551 1.00 0.00 C ATOM 490 NH1 ARG A 45 -5.733 6.223 -1.731 1.00 0.00 N ATOM 491 NH2 ARG A 45 -6.356 6.870 -3.827 1.00 0.00 N ATOM 0 H ARG A 45 -3.416 9.008 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.277 10.245 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.087 11.389 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.314 9.652 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.730 11.005 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.481 11.046 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.648 8.618 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.972 9.034 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.503 8.657 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.631 6.445 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.450 5.307 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.732 7.589 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.082 5.964 -4.206 1.00 0.00 H new ATOM 505 N LEU A 46 -3.903 12.593 -3.230 1.00 0.00 N ATOM 506 CA LEU A 46 -3.021 13.706 -2.763 1.00 0.00 C ATOM 507 C LEU A 46 -3.810 14.857 -2.132 1.00 0.00 C ATOM 508 O LEU A 46 -4.949 15.096 -2.479 1.00 0.00 O ATOM 509 CB LEU A 46 -2.211 14.225 -3.962 1.00 0.00 C ATOM 510 CG LEU A 46 -3.113 15.066 -4.876 1.00 0.00 C ATOM 511 CD1 LEU A 46 -2.948 16.546 -4.507 1.00 0.00 C ATOM 512 CD2 LEU A 46 -2.668 14.866 -6.328 1.00 0.00 C ATOM 0 H LEU A 46 -4.880 12.830 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.362 13.313 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.371 14.826 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.793 13.387 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.154 14.764 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.584 17.154 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.235 16.696 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.907 16.841 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.302 15.459 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.631 15.184 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.754 13.812 -6.593 1.00 0.00 H new ATOM 524 N ARG A 47 -3.175 15.595 -1.259 1.00 0.00 N ATOM 525 CA ARG A 47 -3.910 16.720 -0.609 1.00 0.00 C ATOM 526 C ARG A 47 -3.195 18.040 -0.889 1.00 0.00 C ATOM 527 O ARG A 47 -2.304 18.088 -1.713 1.00 0.00 O ATOM 528 CB ARG A 47 -3.977 16.471 0.902 1.00 0.00 C ATOM 529 CG ARG A 47 -5.389 15.987 1.256 1.00 0.00 C ATOM 530 CD ARG A 47 -5.640 16.234 2.748 1.00 0.00 C ATOM 531 NE ARG A 47 -5.728 17.706 2.969 1.00 0.00 N ATOM 532 CZ ARG A 47 -6.833 18.245 3.410 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.945 17.562 3.381 1.00 0.00 N ATOM 534 NH2 ARG A 47 -6.780 19.467 3.864 1.00 0.00 N ATOM 0 H ARG A 47 -2.204 15.473 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.921 16.777 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.237 15.726 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.743 17.386 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.130 16.516 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.492 14.926 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.562 15.747 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.834 15.808 3.345 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.919 18.296 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.949 16.610 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.809 17.980 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.894 19.972 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.625 19.917 4.216 1.00 0.00 H new ATOM 548 N ASP A 48 -3.617 19.075 -0.208 1.00 0.00 N ATOM 549 CA ASP A 48 -2.989 20.416 -0.403 1.00 0.00 C ATOM 550 C ASP A 48 -1.635 20.311 -1.104 1.00 0.00 C ATOM 551 O ASP A 48 -1.447 20.859 -2.172 1.00 0.00 O ATOM 552 CB ASP A 48 -2.804 21.094 0.965 1.00 0.00 C ATOM 553 CG ASP A 48 -2.511 20.035 2.032 1.00 0.00 C ATOM 554 OD1 ASP A 48 -3.479 19.423 2.449 1.00 0.00 O ATOM 555 OD2 ASP A 48 -1.346 19.893 2.362 1.00 0.00 O ATOM 0 H ASP A 48 -4.372 19.048 0.477 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.649 21.009 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.986 21.812 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.702 21.652 1.230 1.00 0.00 H new ATOM 560 N ASP A 49 -0.724 19.596 -0.498 1.00 0.00 N ATOM 561 CA ASP A 49 0.616 19.458 -1.130 1.00 0.00 C ATOM 562 C ASP A 49 1.351 18.193 -0.676 1.00 0.00 C ATOM 563 O ASP A 49 2.564 18.163 -0.722 1.00 0.00 O ATOM 564 CB ASP A 49 1.468 20.672 -0.746 1.00 0.00 C ATOM 565 CG ASP A 49 0.848 21.948 -1.321 1.00 0.00 C ATOM 566 OD1 ASP A 49 1.181 22.246 -2.457 1.00 0.00 O ATOM 567 OD2 ASP A 49 0.076 22.550 -0.592 1.00 0.00 O ATOM 0 H ASP A 49 -0.848 19.111 0.391 1.00 0.00 H new ATOM 0 HA ASP A 49 0.466 19.392 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.539 20.749 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.483 20.549 -1.124 1.00 0.00 H new ATOM 572 N VAL A 50 0.639 17.184 -0.243 1.00 0.00 N ATOM 573 CA VAL A 50 1.338 15.945 0.202 1.00 0.00 C ATOM 574 C VAL A 50 2.537 15.650 -0.690 1.00 0.00 C ATOM 575 O VAL A 50 2.512 15.844 -1.889 1.00 0.00 O ATOM 576 CB VAL A 50 0.373 14.765 0.150 1.00 0.00 C ATOM 577 CG1 VAL A 50 -0.885 15.121 0.947 1.00 0.00 C ATOM 578 CG2 VAL A 50 0.014 14.472 -1.308 1.00 0.00 C ATOM 0 H VAL A 50 -0.379 17.165 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 50 1.688 16.096 1.223 1.00 0.00 H new ATOM 0 HB VAL A 50 0.834 13.878 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.583 14.285 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.613 15.330 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.355 16.002 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.676 13.629 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.458 15.350 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.919 14.228 -1.864 1.00 0.00 H new ATOM 588 N GLN A 51 3.564 15.181 -0.046 1.00 0.00 N ATOM 589 CA GLN A 51 4.818 14.857 -0.772 1.00 0.00 C ATOM 590 C GLN A 51 5.390 13.538 -0.262 1.00 0.00 C ATOM 591 O GLN A 51 6.201 12.916 -0.920 1.00 0.00 O ATOM 592 CB GLN A 51 5.809 15.990 -0.526 1.00 0.00 C ATOM 593 CG GLN A 51 5.018 17.299 -0.541 1.00 0.00 C ATOM 594 CD GLN A 51 5.972 18.462 -0.266 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.982 18.991 0.926 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.716 18.892 -1.125 1.00 0.00 N flip ATOM 0 H GLN A 51 3.589 15.007 0.959 1.00 0.00 H new ATOM 0 HA GLN A 51 4.623 14.752 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.314 15.857 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.581 15.999 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.530 17.433 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.231 17.272 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.710 18.480 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.347 19.665 -0.913 1.00 0.00 H new ATOM 605 N SER A 52 4.956 13.138 0.904 1.00 0.00 N ATOM 606 CA SER A 52 5.465 11.860 1.461 1.00 0.00 C ATOM 607 C SER A 52 4.272 10.936 1.648 1.00 0.00 C ATOM 608 O SER A 52 3.459 11.151 2.526 1.00 0.00 O ATOM 609 CB SER A 52 6.126 12.138 2.814 1.00 0.00 C ATOM 610 OG SER A 52 7.174 13.041 2.494 1.00 0.00 O ATOM 0 H SER A 52 4.281 13.636 1.485 1.00 0.00 H new ATOM 0 HA SER A 52 6.198 11.402 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.422 12.575 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.509 11.224 3.269 1.00 0.00 H new ATOM 0 HG SER A 52 7.660 13.281 3.311 1.00 0.00 H new ATOM 616 N ILE A 53 4.159 9.969 0.779 1.00 0.00 N ATOM 617 CA ILE A 53 3.020 9.025 0.910 1.00 0.00 C ATOM 618 C ILE A 53 3.521 7.738 1.543 1.00 0.00 C ATOM 619 O ILE A 53 4.352 7.033 1.005 1.00 0.00 O ATOM 620 CB ILE A 53 2.441 8.736 -0.465 1.00 0.00 C ATOM 621 CG1 ILE A 53 2.027 10.082 -1.093 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.209 7.841 -0.295 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.920 9.862 -2.133 1.00 0.00 C ATOM 0 H ILE A 53 4.794 9.795 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 53 2.242 9.462 1.536 1.00 0.00 H new ATOM 0 HB ILE A 53 3.167 8.233 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.677 10.762 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.890 10.553 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.780 7.623 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.500 6.909 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.469 8.353 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.636 10.819 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.285 9.199 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.052 9.411 -1.651 1.00 0.00 H new ATOM 635 N ASN A 54 2.975 7.483 2.694 1.00 0.00 N ATOM 636 CA ASN A 54 3.355 6.264 3.453 1.00 0.00 C ATOM 637 C ASN A 54 2.241 5.248 3.274 1.00 0.00 C ATOM 638 O ASN A 54 1.083 5.605 3.313 1.00 0.00 O ATOM 639 CB ASN A 54 3.436 6.615 4.935 1.00 0.00 C ATOM 640 CG ASN A 54 3.458 8.130 5.092 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.536 8.667 5.838 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 4.279 8.826 4.530 1.00 0.00 N flip ATOM 0 H ASN A 54 2.275 8.072 3.146 1.00 0.00 H new ATOM 0 HA ASN A 54 4.311 5.874 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.583 6.195 5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.333 6.179 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.998 8.397 3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.250 9.840 4.641 1.00 0.00 H new ATOM 649 N TRP A 55 2.591 4.008 3.091 1.00 0.00 N ATOM 650 CA TRP A 55 1.521 2.993 2.933 1.00 0.00 C ATOM 651 C TRP A 55 1.500 2.206 4.240 1.00 0.00 C ATOM 652 O TRP A 55 2.362 1.382 4.470 1.00 0.00 O ATOM 653 CB TRP A 55 1.894 2.111 1.751 1.00 0.00 C ATOM 654 CG TRP A 55 1.792 2.956 0.477 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.815 3.598 -0.160 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.662 3.125 -0.233 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.225 4.096 -1.230 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.926 3.871 -1.359 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.619 2.677 0.021 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.092 4.167 -2.241 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.638 2.971 -0.864 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.374 3.717 -1.995 1.00 0.00 C ATOM 0 H TRP A 55 3.549 3.660 3.045 1.00 0.00 H new ATOM 0 HA TRP A 55 0.536 3.418 2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.905 1.722 1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.227 1.251 1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.850 3.678 0.138 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.745 4.630 -1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.824 2.098 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.114 4.752 -3.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.640 2.618 -0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.170 3.949 -2.687 1.00 0.00 H new ATOM 673 N LEU A 56 0.496 2.411 5.049 1.00 0.00 N ATOM 674 CA LEU A 56 0.493 1.696 6.350 1.00 0.00 C ATOM 675 C LEU A 56 0.029 0.267 6.106 1.00 0.00 C ATOM 676 O LEU A 56 -1.138 0.029 5.865 1.00 0.00 O ATOM 677 CB LEU A 56 -0.501 2.335 7.332 1.00 0.00 C ATOM 678 CG LEU A 56 -0.628 3.842 7.120 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.648 4.357 8.145 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.721 4.522 7.371 1.00 0.00 C ATOM 0 H LEU A 56 -0.299 3.025 4.871 1.00 0.00 H new ATOM 0 HA LEU A 56 1.498 1.740 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.479 1.869 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.177 2.139 8.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.943 4.060 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.769 5.434 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.607 3.864 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.293 4.139 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.621 5.596 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.040 4.330 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.463 4.124 6.679 1.00 0.00 H new ATOM 692 N ARG A 57 0.948 -0.651 6.211 1.00 0.00 N ATOM 693 CA ARG A 57 0.582 -2.071 5.971 1.00 0.00 C ATOM 694 C ARG A 57 -0.100 -2.615 7.218 1.00 0.00 C ATOM 695 O ARG A 57 0.202 -2.200 8.315 1.00 0.00 O ATOM 696 CB ARG A 57 1.863 -2.844 5.699 1.00 0.00 C ATOM 697 CG ARG A 57 1.527 -4.304 5.404 1.00 0.00 C ATOM 698 CD ARG A 57 1.899 -5.164 6.607 1.00 0.00 C ATOM 699 NE ARG A 57 1.341 -6.526 6.377 1.00 0.00 N ATOM 700 CZ ARG A 57 0.726 -7.135 7.353 1.00 0.00 C ATOM 701 NH1 ARG A 57 -0.551 -7.376 7.241 1.00 0.00 N ATOM 702 NH2 ARG A 57 1.406 -7.470 8.415 1.00 0.00 N ATOM 0 H ARG A 57 1.925 -0.482 6.450 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.096 -2.166 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.393 -2.404 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.528 -2.780 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.464 -4.407 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.069 -4.642 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.982 -5.209 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.495 -4.735 7.524 1.00 0.00 H new ATOM 0 HE ARG A 57 1.439 -6.977 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.052 -7.089 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.048 -7.851 7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.401 -7.255 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.942 -7.947 9.188 1.00 0.00 H new ATOM 716 N ASP A 58 -1.069 -3.458 6.995 1.00 0.00 N ATOM 717 CA ASP A 58 -1.818 -4.066 8.132 1.00 0.00 C ATOM 718 C ASP A 58 -2.561 -2.962 8.880 1.00 0.00 C ATOM 719 O ASP A 58 -3.756 -2.810 8.719 1.00 0.00 O ATOM 720 CB ASP A 58 -0.834 -4.768 9.078 1.00 0.00 C ATOM 721 CG ASP A 58 -1.624 -5.638 10.061 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.200 -5.050 10.962 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.611 -6.839 9.847 1.00 0.00 O ATOM 0 H ASP A 58 -1.377 -3.754 6.069 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.533 -4.799 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.136 -5.382 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.241 -4.031 9.620 1.00 0.00 H new ATOM 728 N GLY A 59 -1.824 -2.234 9.679 1.00 0.00 N ATOM 729 CA GLY A 59 -2.419 -1.107 10.452 1.00 0.00 C ATOM 730 C GLY A 59 -1.313 -0.147 10.919 1.00 0.00 C ATOM 731 O GLY A 59 -1.515 0.639 11.824 1.00 0.00 O ATOM 0 H GLY A 59 -0.825 -2.375 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.139 -0.571 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.964 -1.494 11.313 1.00 0.00 H new ATOM 735 N VAL A 60 -0.169 -0.234 10.290 1.00 0.00 N ATOM 736 CA VAL A 60 0.972 0.648 10.675 1.00 0.00 C ATOM 737 C VAL A 60 1.757 1.057 9.425 1.00 0.00 C ATOM 738 O VAL A 60 1.776 0.348 8.440 1.00 0.00 O ATOM 739 CB VAL A 60 1.897 -0.120 11.627 1.00 0.00 C ATOM 740 CG1 VAL A 60 1.137 -0.436 12.919 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.316 -1.439 10.967 1.00 0.00 C ATOM 0 H VAL A 60 0.024 -0.880 9.524 1.00 0.00 H new ATOM 0 HA VAL A 60 0.591 1.543 11.167 1.00 0.00 H new ATOM 0 HB VAL A 60 2.778 0.483 11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.789 -0.982 13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.817 0.494 13.390 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.263 -1.045 12.687 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.974 -1.989 11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.430 -2.038 10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.842 -1.229 10.036 1.00 0.00 H new ATOM 751 N GLN A 61 2.406 2.187 9.511 1.00 0.00 N ATOM 752 CA GLN A 61 3.193 2.695 8.349 1.00 0.00 C ATOM 753 C GLN A 61 4.093 1.634 7.710 1.00 0.00 C ATOM 754 O GLN A 61 4.820 0.932 8.385 1.00 0.00 O ATOM 755 CB GLN A 61 4.044 3.880 8.832 1.00 0.00 C ATOM 756 CG GLN A 61 5.113 3.382 9.817 1.00 0.00 C ATOM 757 CD GLN A 61 6.430 3.099 9.081 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.445 3.048 7.777 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.462 2.916 9.694 1.00 0.00 N flip ATOM 0 H GLN A 61 2.425 2.783 10.339 1.00 0.00 H new ATOM 0 HA GLN A 61 2.488 2.996 7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.519 4.370 7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.409 4.623 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.277 4.129 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.765 2.476 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.463 2.953 10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.328 2.725 9.190 1.00 0.00 H new ATOM 768 N LEU A 62 3.999 1.536 6.411 1.00 0.00 N ATOM 769 CA LEU A 62 4.854 0.560 5.678 1.00 0.00 C ATOM 770 C LEU A 62 5.283 1.100 4.312 1.00 0.00 C ATOM 771 O LEU A 62 4.560 1.796 3.621 1.00 0.00 O ATOM 772 CB LEU A 62 4.118 -0.764 5.459 1.00 0.00 C ATOM 773 CG LEU A 62 5.196 -1.819 5.131 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.858 -2.274 6.436 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.569 -3.039 4.449 1.00 0.00 C ATOM 0 H LEU A 62 3.369 2.088 5.828 1.00 0.00 H new ATOM 0 HA LEU A 62 5.736 0.397 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.557 -1.047 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.400 -0.678 4.644 1.00 0.00 H new ATOM 0 HG LEU A 62 5.930 -1.374 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.622 -3.020 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.319 -1.417 6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.105 -2.709 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.346 -3.771 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.829 -3.486 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.086 -2.729 3.522 1.00 0.00 H new ATOM 787 N VAL A 63 6.526 0.834 4.039 1.00 0.00 N ATOM 788 CA VAL A 63 7.149 1.252 2.755 1.00 0.00 C ATOM 789 C VAL A 63 8.435 0.428 2.576 1.00 0.00 C ATOM 790 O VAL A 63 9.474 0.789 3.093 1.00 0.00 O ATOM 791 CB VAL A 63 7.358 2.777 2.849 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.979 3.131 4.206 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.271 3.283 1.742 1.00 0.00 C ATOM 0 H VAL A 63 7.153 0.332 4.668 1.00 0.00 H new ATOM 0 HA VAL A 63 6.543 1.063 1.869 1.00 0.00 H new ATOM 0 HB VAL A 63 6.384 3.254 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.125 4.209 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.313 2.808 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.940 2.628 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.397 4.361 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.243 2.796 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.828 3.055 0.772 1.00 0.00 H new ATOM 843 N ARG A 67 10.741 -6.591 -3.877 1.00 0.00 N ATOM 844 CA ARG A 67 9.469 -7.382 -3.874 1.00 0.00 C ATOM 845 C ARG A 67 8.249 -6.460 -3.952 1.00 0.00 C ATOM 846 O ARG A 67 7.316 -6.687 -4.701 1.00 0.00 O ATOM 847 CB ARG A 67 9.383 -8.198 -2.574 1.00 0.00 C ATOM 848 CG ARG A 67 10.789 -8.627 -2.129 1.00 0.00 C ATOM 849 CD ARG A 67 11.362 -7.548 -1.201 1.00 0.00 C ATOM 850 NE ARG A 67 12.715 -7.983 -0.750 1.00 0.00 N ATOM 851 CZ ARG A 67 13.761 -7.269 -1.068 1.00 0.00 C ATOM 852 NH1 ARG A 67 13.772 -5.996 -0.779 1.00 0.00 N ATOM 853 NH2 ARG A 67 14.762 -7.853 -1.667 1.00 0.00 N ATOM 0 HA ARG A 67 9.473 -8.039 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.911 -7.603 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.757 -9.077 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.746 -9.586 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.435 -8.761 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.425 -6.594 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.706 -7.399 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 67 12.823 -8.833 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.971 -5.572 -0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.582 -5.425 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.718 -8.850 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.588 -7.313 -1.924 1.00 0.00 H new ATOM 867 N THR A 68 8.313 -5.426 -3.159 1.00 0.00 N ATOM 868 CA THR A 68 7.220 -4.429 -3.115 1.00 0.00 C ATOM 869 C THR A 68 7.825 -3.110 -3.593 1.00 0.00 C ATOM 870 O THR A 68 8.662 -2.522 -2.934 1.00 0.00 O ATOM 871 CB THR A 68 6.727 -4.324 -1.664 1.00 0.00 C ATOM 872 OG1 THR A 68 6.508 -2.939 -1.437 1.00 0.00 O ATOM 873 CG2 THR A 68 7.841 -4.709 -0.694 1.00 0.00 C ATOM 0 H THR A 68 9.093 -5.232 -2.531 1.00 0.00 H new ATOM 0 HA THR A 68 6.371 -4.698 -3.743 1.00 0.00 H new ATOM 0 HB THR A 68 5.854 -4.961 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.188 -2.804 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.476 -4.629 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.155 -5.735 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.689 -4.038 -0.830 1.00 0.00 H new ATOM 881 N ARG A 69 7.381 -2.680 -4.739 1.00 0.00 N ATOM 882 CA ARG A 69 7.902 -1.415 -5.310 1.00 0.00 C ATOM 883 C ARG A 69 7.032 -0.316 -4.727 1.00 0.00 C ATOM 884 O ARG A 69 5.961 -0.023 -5.216 1.00 0.00 O ATOM 885 CB ARG A 69 7.765 -1.447 -6.835 1.00 0.00 C ATOM 886 CG ARG A 69 8.764 -0.444 -7.420 1.00 0.00 C ATOM 887 CD ARG A 69 8.669 -0.464 -8.950 1.00 0.00 C ATOM 888 NE ARG A 69 7.653 0.540 -9.377 1.00 0.00 N ATOM 889 CZ ARG A 69 8.051 1.664 -9.909 1.00 0.00 C ATOM 890 NH1 ARG A 69 7.910 1.839 -11.195 1.00 0.00 N ATOM 891 NH2 ARG A 69 8.576 2.576 -9.136 1.00 0.00 N ATOM 0 H ARG A 69 6.677 -3.154 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 69 8.955 -1.259 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.964 -2.449 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.748 -1.190 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.553 0.557 -7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.776 -0.696 -7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.638 -0.233 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.388 -1.458 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 69 6.658 0.351 -9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.494 1.104 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.215 2.711 -11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.669 2.404 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.893 3.460 -9.533 1.00 0.00 H new ATOM 905 N ILE A 70 7.470 0.168 -3.604 1.00 0.00 N ATOM 906 CA ILE A 70 6.715 1.255 -2.931 1.00 0.00 C ATOM 907 C ILE A 70 7.026 2.598 -3.566 1.00 0.00 C ATOM 908 O ILE A 70 8.096 3.136 -3.361 1.00 0.00 O ATOM 909 CB ILE A 70 7.194 1.365 -1.516 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.719 1.150 -1.560 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.554 0.287 -0.642 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.388 2.000 -0.506 1.00 0.00 C ATOM 0 H ILE A 70 8.315 -0.140 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 70 5.653 1.022 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 70 6.929 2.334 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.952 0.098 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.103 1.409 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.916 0.386 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.470 0.403 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.818 -0.698 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.466 1.843 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.168 3.051 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.014 1.720 0.479 1.00 0.00 H new ATOM 924 N THR A 71 6.116 3.135 -4.324 1.00 0.00 N ATOM 925 CA THR A 71 6.431 4.465 -4.882 1.00 0.00 C ATOM 926 C THR A 71 5.592 5.484 -4.101 1.00 0.00 C ATOM 927 O THR A 71 4.481 5.200 -3.694 1.00 0.00 O ATOM 928 CB THR A 71 6.087 4.514 -6.365 1.00 0.00 C ATOM 929 OG1 THR A 71 4.701 4.797 -6.353 1.00 0.00 O ATOM 930 CG2 THR A 71 6.189 3.126 -7.005 1.00 0.00 C ATOM 0 H THR A 71 5.212 2.732 -4.570 1.00 0.00 H new ATOM 0 HA THR A 71 7.494 4.685 -4.789 1.00 0.00 H new ATOM 0 HB THR A 71 6.735 5.210 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.210 4.014 -6.028 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.938 3.194 -8.063 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.206 2.749 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.496 2.445 -6.510 1.00 0.00 H new ATOM 938 N GLY A 72 6.184 6.619 -3.856 1.00 0.00 N ATOM 939 CA GLY A 72 5.487 7.707 -3.111 1.00 0.00 C ATOM 940 C GLY A 72 4.060 7.979 -3.601 1.00 0.00 C ATOM 941 O GLY A 72 3.423 8.897 -3.125 1.00 0.00 O ATOM 0 H GLY A 72 7.136 6.843 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.454 7.446 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.071 8.624 -3.195 1.00 0.00 H new ATOM 945 N GLU A 73 3.582 7.219 -4.551 1.00 0.00 N ATOM 946 CA GLU A 73 2.191 7.448 -5.031 1.00 0.00 C ATOM 947 C GLU A 73 1.418 6.126 -5.085 1.00 0.00 C ATOM 948 O GLU A 73 0.218 6.092 -4.902 1.00 0.00 O ATOM 949 CB GLU A 73 2.243 8.066 -6.432 1.00 0.00 C ATOM 950 CG GLU A 73 2.994 7.117 -7.376 1.00 0.00 C ATOM 951 CD GLU A 73 2.905 7.661 -8.805 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.796 7.662 -9.314 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.951 8.044 -9.304 1.00 0.00 O ATOM 0 H GLU A 73 4.087 6.460 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 73 1.682 8.122 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.233 8.242 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.743 9.034 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.037 7.030 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.563 6.117 -7.326 1.00 0.00 H new ATOM 960 N GLU A 74 2.113 5.045 -5.308 1.00 0.00 N ATOM 961 CA GLU A 74 1.391 3.749 -5.399 1.00 0.00 C ATOM 962 C GLU A 74 2.296 2.650 -4.884 1.00 0.00 C ATOM 963 O GLU A 74 3.495 2.704 -5.049 1.00 0.00 O ATOM 964 CB GLU A 74 1.057 3.485 -6.872 1.00 0.00 C ATOM 965 CG GLU A 74 0.295 2.154 -7.002 1.00 0.00 C ATOM 966 CD GLU A 74 -0.004 1.887 -8.483 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.047 2.868 -9.207 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.192 0.725 -8.808 1.00 0.00 O ATOM 0 H GLU A 74 3.125 5.003 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 74 0.476 3.777 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.453 4.301 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.973 3.450 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.888 1.340 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.634 2.196 -6.433 1.00 0.00 H new ATOM 975 N VAL A 75 1.702 1.682 -4.259 1.00 0.00 N ATOM 976 CA VAL A 75 2.526 0.559 -3.747 1.00 0.00 C ATOM 977 C VAL A 75 2.243 -0.639 -4.631 1.00 0.00 C ATOM 978 O VAL A 75 1.102 -1.017 -4.796 1.00 0.00 O ATOM 979 CB VAL A 75 2.134 0.275 -2.302 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.129 -1.242 -2.052 1.00 0.00 C ATOM 981 CG2 VAL A 75 3.200 0.891 -1.411 1.00 0.00 C ATOM 0 H VAL A 75 0.700 1.617 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 75 3.590 0.793 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 75 1.145 0.684 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.848 -1.439 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.411 -1.718 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.124 -1.645 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.952 0.707 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.167 0.443 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.247 1.965 -1.589 1.00 0.00 H new ATOM 991 N GLU A 76 3.281 -1.137 -5.243 1.00 0.00 N ATOM 992 CA GLU A 76 3.087 -2.326 -6.125 1.00 0.00 C ATOM 993 C GLU A 76 3.831 -3.559 -5.597 1.00 0.00 C ATOM 994 O GLU A 76 5.042 -3.613 -5.634 1.00 0.00 O ATOM 995 CB GLU A 76 3.606 -1.970 -7.517 1.00 0.00 C ATOM 996 CG GLU A 76 2.920 -0.677 -7.971 1.00 0.00 C ATOM 997 CD GLU A 76 3.562 -0.201 -9.277 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.755 0.046 -9.232 1.00 0.00 O ATOM 999 OE2 GLU A 76 2.820 -0.114 -10.242 1.00 0.00 O ATOM 0 H GLU A 76 4.235 -0.784 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 76 2.027 -2.576 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.688 -1.839 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.396 -2.778 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.854 -0.848 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.017 0.090 -7.203 1.00 0.00 H new ATOM 1006 N VAL A 77 3.092 -4.536 -5.143 1.00 0.00 N ATOM 1007 CA VAL A 77 3.737 -5.776 -4.615 1.00 0.00 C ATOM 1008 C VAL A 77 3.622 -6.793 -5.746 1.00 0.00 C ATOM 1009 O VAL A 77 2.528 -7.141 -6.138 1.00 0.00 O ATOM 1010 CB VAL A 77 2.978 -6.266 -3.350 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.725 -5.778 -2.112 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.568 -5.672 -3.324 1.00 0.00 C ATOM 0 H VAL A 77 2.072 -4.530 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 77 4.775 -5.617 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 77 2.918 -7.354 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.203 -6.115 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.738 -6.181 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.768 -4.689 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.043 -6.020 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.632 -4.584 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.024 -5.988 -4.214 1.00 0.00 H new ATOM 1022 N ARG A 78 4.739 -7.253 -6.242 1.00 0.00 N ATOM 1023 CA ARG A 78 4.671 -8.207 -7.388 1.00 0.00 C ATOM 1024 C ARG A 78 4.920 -9.637 -6.939 1.00 0.00 C ATOM 1025 O ARG A 78 5.828 -10.299 -7.404 1.00 0.00 O ATOM 1026 CB ARG A 78 5.720 -7.804 -8.418 1.00 0.00 C ATOM 1027 CG ARG A 78 5.077 -6.797 -9.362 1.00 0.00 C ATOM 1028 CD ARG A 78 4.793 -5.507 -8.592 1.00 0.00 C ATOM 1029 NE ARG A 78 4.761 -4.385 -9.573 1.00 0.00 N ATOM 1030 CZ ARG A 78 5.734 -3.515 -9.590 1.00 0.00 C ATOM 1031 NH1 ARG A 78 6.894 -3.846 -9.091 1.00 0.00 N ATOM 1032 NH2 ARG A 78 5.516 -2.339 -10.112 1.00 0.00 N ATOM 0 H ARG A 78 5.675 -7.017 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 78 3.671 -8.165 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.590 -7.367 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.070 -8.677 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.738 -6.595 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.152 -7.202 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.842 -5.579 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.563 -5.334 -7.840 1.00 0.00 H new ATOM 0 HE ARG A 78 3.983 -4.298 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.032 -4.775 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.662 -3.175 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.599 -2.114 -10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.263 -1.645 -10.135 1.00 0.00 H new ATOM 1046 N ASP A 79 4.097 -10.082 -6.034 1.00 0.00 N ATOM 1047 CA ASP A 79 4.277 -11.464 -5.536 1.00 0.00 C ATOM 1048 C ASP A 79 3.008 -11.961 -4.857 1.00 0.00 C ATOM 1049 O ASP A 79 2.648 -13.113 -4.977 1.00 0.00 O ATOM 1050 CB ASP A 79 5.444 -11.471 -4.537 1.00 0.00 C ATOM 1051 CG ASP A 79 5.850 -12.911 -4.196 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.284 -13.807 -4.800 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.716 -13.028 -3.345 1.00 0.00 O ATOM 0 H ASP A 79 3.323 -9.558 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 79 4.492 -12.128 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.295 -10.937 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.156 -10.943 -3.628 1.00 0.00 H new ATOM 1058 N SER A 80 2.337 -11.059 -4.191 1.00 0.00 N ATOM 1059 CA SER A 80 1.116 -11.467 -3.440 1.00 0.00 C ATOM 1060 C SER A 80 1.525 -12.641 -2.539 1.00 0.00 C ATOM 1061 O SER A 80 1.569 -13.781 -2.958 1.00 0.00 O ATOM 1062 CB SER A 80 0.005 -11.868 -4.425 1.00 0.00 C ATOM 1063 OG SER A 80 0.250 -13.233 -4.720 1.00 0.00 O ATOM 0 H SER A 80 2.578 -10.069 -4.135 1.00 0.00 H new ATOM 0 HA SER A 80 0.722 -10.651 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.982 -11.731 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.038 -11.257 -5.327 1.00 0.00 H new ATOM 0 HG SER A 80 1.204 -13.426 -4.609 1.00 0.00 H new ATOM 1069 N ILE A 81 1.871 -12.292 -1.333 1.00 0.00 N ATOM 1070 CA ILE A 81 2.322 -13.300 -0.332 1.00 0.00 C ATOM 1071 C ILE A 81 1.701 -12.916 1.010 1.00 0.00 C ATOM 1072 O ILE A 81 1.161 -11.837 1.131 1.00 0.00 O ATOM 1073 CB ILE A 81 3.856 -13.231 -0.248 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.302 -11.766 -0.397 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.449 -14.056 -1.395 1.00 0.00 C ATOM 1076 CD1 ILE A 81 5.789 -11.661 -0.045 1.00 0.00 C ATOM 0 H ILE A 81 1.860 -11.331 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 81 2.022 -14.312 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 81 4.197 -13.624 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.131 -11.422 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.713 -11.124 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.537 -14.016 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.120 -15.091 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.112 -13.649 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.115 -10.626 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.944 -11.990 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.368 -12.292 -0.719 1.00 0.00 H new ATOM 1088 N PRO A 82 1.814 -13.769 1.994 1.00 0.00 N ATOM 1089 CA PRO A 82 1.409 -13.432 3.379 1.00 0.00 C ATOM 1090 C PRO A 82 1.609 -11.945 3.712 1.00 0.00 C ATOM 1091 O PRO A 82 0.820 -11.349 4.419 1.00 0.00 O ATOM 1092 CB PRO A 82 2.280 -14.345 4.247 1.00 0.00 C ATOM 1093 CG PRO A 82 2.768 -15.504 3.318 1.00 0.00 C ATOM 1094 CD PRO A 82 2.428 -15.111 1.863 1.00 0.00 C ATOM 0 HA PRO A 82 0.343 -13.590 3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.126 -13.796 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.712 -14.737 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.841 -15.660 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.279 -16.441 3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.320 -15.083 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.740 -15.823 1.407 1.00 0.00 H new ATOM 1102 N ALA A 83 2.655 -11.371 3.185 1.00 0.00 N ATOM 1103 CA ALA A 83 2.929 -9.929 3.456 1.00 0.00 C ATOM 1104 C ALA A 83 1.703 -9.034 3.221 1.00 0.00 C ATOM 1105 O ALA A 83 1.523 -8.048 3.907 1.00 0.00 O ATOM 1106 CB ALA A 83 4.062 -9.471 2.537 1.00 0.00 C ATOM 0 H ALA A 83 3.332 -11.836 2.579 1.00 0.00 H new ATOM 0 HA ALA A 83 3.200 -9.835 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.277 -8.418 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.955 -10.064 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.763 -9.604 1.497 1.00 0.00 H new ATOM 1112 N ASP A 84 0.881 -9.395 2.273 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.319 -8.566 1.973 1.00 0.00 C ATOM 1114 C ASP A 84 -1.568 -9.070 2.710 1.00 0.00 C ATOM 1115 O ASP A 84 -2.652 -9.112 2.164 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.544 -8.612 0.460 1.00 0.00 C ATOM 1117 CG ASP A 84 0.816 -8.492 -0.234 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.259 -7.364 -0.372 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.335 -9.543 -0.573 1.00 0.00 O ATOM 0 H ASP A 84 0.989 -10.228 1.694 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.147 -7.546 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.033 -9.544 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.201 -7.800 0.149 1.00 0.00 H new ATOM 1124 N SER A 85 -1.358 -9.550 3.905 1.00 0.00 N ATOM 1125 CA SER A 85 -2.504 -10.017 4.740 1.00 0.00 C ATOM 1126 C SER A 85 -2.899 -8.922 5.746 1.00 0.00 C ATOM 1127 O SER A 85 -2.643 -9.058 6.926 1.00 0.00 O ATOM 1128 CB SER A 85 -2.079 -11.285 5.492 1.00 0.00 C ATOM 1129 OG SER A 85 -0.944 -10.878 6.243 1.00 0.00 O ATOM 0 H SER A 85 -0.440 -9.640 4.341 1.00 0.00 H new ATOM 0 HA SER A 85 -3.362 -10.233 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.876 -11.650 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.833 -12.093 4.803 1.00 0.00 H new ATOM 0 HG SER A 85 -0.141 -11.308 5.881 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.512 -7.862 5.288 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.887 -6.789 6.258 1.00 0.00 C ATOM 1137 C GLY A 86 -4.370 -5.523 5.544 1.00 0.00 C ATOM 1138 O GLY A 86 -4.670 -5.533 4.366 1.00 0.00 O ATOM 0 H GLY A 86 -3.764 -7.694 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.672 -7.155 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.028 -6.548 6.884 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.436 -4.436 6.264 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.914 -3.196 5.599 1.00 0.00 C ATOM 1144 C LEU A 87 -3.743 -2.306 5.190 1.00 0.00 C ATOM 1145 O LEU A 87 -2.868 -2.007 5.978 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.824 -2.430 6.567 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.269 -2.920 6.404 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.340 -4.418 6.722 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.154 -2.167 7.402 1.00 0.00 C ATOM 0 H LEU A 87 -4.189 -4.354 7.250 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.464 -3.471 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.491 -2.581 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.767 -1.360 6.368 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.605 -2.744 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.366 -4.766 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.692 -4.966 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.013 -4.588 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.186 -2.504 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.807 -2.364 8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.100 -1.097 7.201 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.753 -1.930 3.941 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.699 -1.029 3.415 1.00 0.00 C ATOM 1163 C TYR A 88 -3.378 0.315 3.248 1.00 0.00 C ATOM 1164 O TYR A 88 -3.813 0.696 2.180 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.221 -1.518 2.065 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.176 -2.598 2.297 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.153 -2.264 2.422 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.552 -3.918 2.363 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.101 -3.244 2.608 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.611 -4.905 2.537 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.728 -4.578 2.657 1.00 0.00 C ATOM 1172 OH TYR A 88 1.691 -5.559 2.781 1.00 0.00 O ATOM 0 H TYR A 88 -4.456 -2.214 3.258 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.835 -0.984 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.056 -1.914 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.797 -0.695 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.454 -1.228 2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.596 -4.182 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.141 -2.972 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.918 -5.940 2.580 1.00 0.00 H new ATOM 0 HH TYR A 88 1.321 -6.320 3.275 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.460 1.003 4.344 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.131 2.329 4.294 1.00 0.00 C ATOM 1184 C ALA A 89 -3.071 3.312 3.821 1.00 0.00 C ATOM 1185 O ALA A 89 -1.945 3.249 4.264 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.606 2.696 5.696 1.00 0.00 C ATOM 0 H ALA A 89 -3.102 0.717 5.255 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.996 2.334 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.100 3.667 5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.308 1.942 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.750 2.742 6.370 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.416 4.222 2.959 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.337 5.129 2.499 1.00 0.00 C ATOM 1194 C CYS A 90 -2.434 6.458 3.209 1.00 0.00 C ATOM 1195 O CYS A 90 -3.514 6.986 3.361 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.475 5.365 1.011 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.162 6.356 0.261 1.00 0.00 S ATOM 0 H CYS A 90 -4.347 4.374 2.570 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.375 4.667 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.510 4.399 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.430 5.856 0.825 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.306 6.942 3.647 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.298 8.257 4.335 1.00 0.00 C ATOM 1204 C VAL A 91 -0.454 9.220 3.515 1.00 0.00 C ATOM 1205 O VAL A 91 0.738 9.047 3.366 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.679 8.133 5.719 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -0.934 9.431 6.492 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.331 6.979 6.466 1.00 0.00 C ATOM 0 H VAL A 91 -0.398 6.487 3.558 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.323 8.615 4.435 1.00 0.00 H new ATOM 0 HB VAL A 91 0.392 7.951 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.495 9.354 7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.481 10.267 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.008 9.596 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.887 6.890 7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.400 7.166 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.173 6.053 5.914 1.00 0.00 H new ATOM 1218 N THR A 92 -1.129 10.203 3.000 1.00 0.00 N ATOM 1219 CA THR A 92 -0.457 11.244 2.180 1.00 0.00 C ATOM 1220 C THR A 92 -0.188 12.384 3.152 1.00 0.00 C ATOM 1221 O THR A 92 -1.112 12.881 3.765 1.00 0.00 O ATOM 1222 CB THR A 92 -1.412 11.703 1.079 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.531 12.219 1.787 1.00 0.00 O ATOM 1224 CG2 THR A 92 -1.974 10.503 0.315 1.00 0.00 C ATOM 0 H THR A 92 -2.134 10.332 3.114 1.00 0.00 H new ATOM 0 HA THR A 92 0.457 10.890 1.703 1.00 0.00 H new ATOM 0 HB THR A 92 -0.909 12.388 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.309 12.297 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.651 10.853 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.155 9.945 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.516 9.855 1.003 1.00 0.00 H new ATOM 1232 N SER A 93 1.060 12.734 3.301 1.00 0.00 N ATOM 1233 CA SER A 93 1.407 13.815 4.259 1.00 0.00 C ATOM 1234 C SER A 93 2.201 14.943 3.606 1.00 0.00 C ATOM 1235 O SER A 93 3.008 14.727 2.721 1.00 0.00 O ATOM 1236 CB SER A 93 2.258 13.207 5.384 1.00 0.00 C ATOM 1237 OG SER A 93 2.149 11.801 5.193 1.00 0.00 O ATOM 0 H SER A 93 1.848 12.320 2.803 1.00 0.00 H new ATOM 0 HA SER A 93 0.477 14.240 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.295 13.537 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.889 13.504 6.366 1.00 0.00 H new ATOM 0 HG SER A 93 3.039 11.422 5.036 1.00 0.00 H new ATOM 1243 N SER A 94 1.861 16.125 4.041 1.00 0.00 N ATOM 1244 CA SER A 94 2.545 17.359 3.567 1.00 0.00 C ATOM 1245 C SER A 94 2.736 18.254 4.792 1.00 0.00 C ATOM 1246 O SER A 94 1.988 18.156 5.743 1.00 0.00 O ATOM 1247 CB SER A 94 1.651 18.073 2.543 1.00 0.00 C ATOM 1248 OG SER A 94 1.293 19.298 3.173 1.00 0.00 O ATOM 0 H SER A 94 1.119 16.289 4.722 1.00 0.00 H new ATOM 0 HA SER A 94 3.500 17.129 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.182 18.249 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.770 17.478 2.303 1.00 0.00 H new ATOM 0 HG SER A 94 0.374 19.535 2.929 1.00 0.00 H new ATOM 1254 N PRO A 95 3.684 19.147 4.705 1.00 0.00 N ATOM 1255 CA PRO A 95 4.066 20.015 5.839 1.00 0.00 C ATOM 1256 C PRO A 95 2.865 20.600 6.596 1.00 0.00 C ATOM 1257 O PRO A 95 3.016 21.066 7.708 1.00 0.00 O ATOM 1258 CB PRO A 95 4.917 21.126 5.208 1.00 0.00 C ATOM 1259 CG PRO A 95 5.245 20.684 3.750 1.00 0.00 C ATOM 1260 CD PRO A 95 4.432 19.408 3.453 1.00 0.00 C ATOM 0 HA PRO A 95 4.603 19.443 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.377 22.073 5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.833 21.280 5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.989 21.474 3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.312 20.492 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.757 19.555 2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.084 18.572 3.198 1.00 0.00 H new ATOM 1268 N SER A 96 1.698 20.570 6.002 1.00 0.00 N ATOM 1269 CA SER A 96 0.522 21.144 6.724 1.00 0.00 C ATOM 1270 C SER A 96 -0.784 20.394 6.431 1.00 0.00 C ATOM 1271 O SER A 96 -1.856 20.959 6.532 1.00 0.00 O ATOM 1272 CB SER A 96 0.364 22.608 6.300 1.00 0.00 C ATOM 1273 OG SER A 96 1.591 23.207 6.691 1.00 0.00 O ATOM 0 H SER A 96 1.511 20.185 5.076 1.00 0.00 H new ATOM 0 HA SER A 96 0.710 21.051 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.199 22.698 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.486 23.078 6.794 1.00 0.00 H new ATOM 0 HG SER A 96 1.581 24.158 6.454 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.680 19.142 6.077 1.00 0.00 N ATOM 1280 CA GLY A 97 -1.923 18.370 5.779 1.00 0.00 C ATOM 1281 C GLY A 97 -1.683 16.860 5.857 1.00 0.00 C ATOM 1282 O GLY A 97 -0.593 16.396 5.583 1.00 0.00 O ATOM 0 H GLY A 97 0.195 18.626 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.704 18.651 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.284 18.630 4.784 1.00 0.00 H new ATOM 1286 N SER A 98 -2.716 16.141 6.207 1.00 0.00 N ATOM 1287 CA SER A 98 -2.602 14.656 6.303 1.00 0.00 C ATOM 1288 C SER A 98 -3.930 13.991 5.913 1.00 0.00 C ATOM 1289 O SER A 98 -4.962 14.278 6.486 1.00 0.00 O ATOM 1290 CB SER A 98 -2.244 14.286 7.747 1.00 0.00 C ATOM 1291 OG SER A 98 -3.273 14.884 8.521 1.00 0.00 O ATOM 0 H SER A 98 -3.636 16.519 6.431 1.00 0.00 H new ATOM 0 HA SER A 98 -1.828 14.305 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.216 13.205 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.262 14.669 8.025 1.00 0.00 H new ATOM 0 HG SER A 98 -4.094 14.938 7.988 1.00 0.00 H new ATOM 1297 N ASP A 99 -3.874 13.120 4.940 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.119 12.422 4.494 1.00 0.00 C ATOM 1299 C ASP A 99 -4.860 10.921 4.406 1.00 0.00 C ATOM 1300 O ASP A 99 -3.820 10.510 3.932 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.510 12.944 3.110 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.837 12.307 2.681 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -6.791 11.138 2.334 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.819 13.029 2.727 1.00 0.00 O ATOM 0 H ASP A 99 -3.026 12.862 4.436 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.921 12.611 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.606 14.030 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.730 12.708 2.386 1.00 0.00 H new ATOM 1309 N THR A 100 -5.814 10.136 4.831 1.00 0.00 N ATOM 1310 CA THR A 100 -5.595 8.665 4.777 1.00 0.00 C ATOM 1311 C THR A 100 -6.729 7.893 4.093 1.00 0.00 C ATOM 1312 O THR A 100 -7.896 8.214 4.208 1.00 0.00 O ATOM 1313 CB THR A 100 -5.427 8.153 6.203 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.295 8.851 6.699 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.005 6.680 6.208 1.00 0.00 C ATOM 0 H THR A 100 -6.713 10.441 5.204 1.00 0.00 H new ATOM 0 HA THR A 100 -4.703 8.494 4.174 1.00 0.00 H new ATOM 0 HB THR A 100 -6.353 8.282 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.120 8.576 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.891 6.338 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.767 6.082 5.708 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.056 6.572 5.683 1.00 0.00 H new ATOM 1323 N THR A 101 -6.302 6.881 3.394 1.00 0.00 N ATOM 1324 CA THR A 101 -7.223 5.971 2.648 1.00 0.00 C ATOM 1325 C THR A 101 -7.041 4.536 3.159 1.00 0.00 C ATOM 1326 O THR A 101 -6.089 4.269 3.865 1.00 0.00 O ATOM 1327 CB THR A 101 -6.847 6.029 1.171 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.556 6.623 1.161 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.737 7.026 0.428 1.00 0.00 C ATOM 0 H THR A 101 -5.316 6.636 3.304 1.00 0.00 H new ATOM 0 HA THR A 101 -8.260 6.276 2.792 1.00 0.00 H new ATOM 0 HB THR A 101 -6.923 5.041 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.641 7.591 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.453 7.053 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.779 6.719 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.614 8.018 0.863 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.922 3.632 2.802 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.736 2.237 3.314 1.00 0.00 C ATOM 1339 C TYR A 102 -7.836 1.133 2.251 1.00 0.00 C ATOM 1340 O TYR A 102 -8.906 0.699 1.874 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.780 1.958 4.379 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.754 3.069 5.418 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.483 4.219 5.212 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -8.010 2.931 6.567 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.470 5.227 6.153 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.994 3.939 7.510 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.725 5.094 7.307 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.709 6.104 8.248 1.00 0.00 O ATOM 0 H TYR A 102 -8.732 3.789 2.202 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.717 2.204 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.769 1.893 3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.583 0.997 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.067 4.332 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.436 2.031 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.046 6.125 5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.408 3.825 8.410 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.134 5.843 8.998 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.704 0.713 1.767 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.697 -0.388 0.767 1.00 0.00 C ATOM 1360 C PHE A 103 -6.640 -1.700 1.526 1.00 0.00 C ATOM 1361 O PHE A 103 -5.598 -2.097 2.002 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.441 -0.309 -0.091 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.507 0.943 -0.946 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.112 2.162 -0.432 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.979 0.859 -2.237 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.192 3.296 -1.209 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.056 1.992 -3.018 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.668 3.211 -2.500 1.00 0.00 C ATOM 0 H PHE A 103 -5.787 1.082 2.018 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.583 -0.313 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.553 -0.287 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.360 -1.193 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.740 2.226 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.289 -0.095 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.883 4.250 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.419 1.926 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.737 4.101 -3.108 1.00 0.00 H new ATOM 1378 N SER A 104 -7.751 -2.355 1.663 1.00 0.00 N ATOM 1379 CA SER A 104 -7.674 -3.649 2.388 1.00 0.00 C ATOM 1380 C SER A 104 -7.119 -4.655 1.382 1.00 0.00 C ATOM 1381 O SER A 104 -7.740 -4.962 0.386 1.00 0.00 O ATOM 1382 CB SER A 104 -9.076 -4.055 2.850 1.00 0.00 C ATOM 1383 OG SER A 104 -9.863 -2.908 2.572 1.00 0.00 O ATOM 0 H SER A 104 -8.670 -2.071 1.324 1.00 0.00 H new ATOM 0 HA SER A 104 -7.041 -3.594 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.438 -4.930 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.092 -4.305 3.911 1.00 0.00 H new ATOM 0 HG SER A 104 -9.997 -2.395 3.396 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.937 -5.135 1.650 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.326 -6.098 0.694 1.00 0.00 C ATOM 1391 C VAL A 105 -5.089 -7.410 1.424 1.00 0.00 C ATOM 1392 O VAL A 105 -4.495 -7.464 2.483 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.995 -5.537 0.156 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.998 -4.009 0.270 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.829 -6.113 0.958 1.00 0.00 C ATOM 0 H VAL A 105 -5.377 -4.908 2.472 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.993 -6.260 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.882 -5.820 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.056 -3.614 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.824 -3.602 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.116 -3.722 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.891 -5.713 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.938 -5.838 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.826 -7.199 0.866 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.621 -8.444 0.846 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.460 -9.782 1.472 1.00 0.00 C ATOM 1407 C ASN A 106 -4.937 -10.821 0.483 1.00 0.00 C ATOM 1408 O ASN A 106 -5.448 -10.984 -0.607 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.817 -10.232 2.022 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.930 -9.359 1.430 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -8.072 -8.200 1.765 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.737 -9.875 0.543 1.00 0.00 N ATOM 0 H ASN A 106 -6.155 -8.424 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.725 -9.699 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.992 -11.279 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.822 -10.157 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.480 -9.306 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.625 -10.847 0.256 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.863 -11.456 0.857 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.331 -12.519 -0.040 1.00 0.00 C ATOM 1421 C VAL A 107 -4.153 -13.791 0.198 1.00 0.00 C ATOM 1422 O VAL A 107 -4.382 -14.186 1.323 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.856 -12.764 0.296 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.737 -13.284 1.733 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.300 -13.822 -0.662 1.00 0.00 C ATOM 0 H VAL A 107 -3.343 -11.293 1.719 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.405 -12.224 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.298 -11.833 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.688 -13.458 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.148 -12.546 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.291 -14.218 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.250 -14.005 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.863 -14.748 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.390 -13.467 -1.689 1.00 0.00 H new ATOM 1435 N SER A 108 -4.526 -14.456 -0.863 1.00 0.00 N ATOM 1436 CA SER A 108 -5.350 -15.686 -0.694 1.00 0.00 C ATOM 1437 C SER A 108 -4.483 -16.870 -0.274 1.00 0.00 C ATOM 1438 O SER A 108 -4.661 -17.990 -0.712 1.00 0.00 O ATOM 1439 CB SER A 108 -6.027 -15.995 -2.025 1.00 0.00 C ATOM 1440 OG SER A 108 -6.922 -17.053 -1.716 1.00 0.00 O ATOM 0 H SER A 108 -4.300 -14.205 -1.825 1.00 0.00 H new ATOM 0 HA SER A 108 -6.093 -15.518 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.556 -15.126 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.302 -16.293 -2.782 1.00 0.00 H new ATOM 0 HG SER A 108 -6.426 -17.792 -1.307 1.00 0.00 H new