USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.3) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00934 USER MOD Single : A 29 SER OG : rot -140:sc= -3.18! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0515 X(o=-0.052,f=-0.23) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.038 (180deg=-0.438) USER MOD Single : A 47 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.8!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.937 USER MOD Single : A 53 TYR OH : rot 100:sc= -1.1 USER MOD Single : A 57 MET CE :methyl 169:sc= -0.657 (180deg=-0.741) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -60:sc= 1.03 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 15:sc= 0.534 USER MOD Single : A 90 GLN : amide:sc= -1.97 K(o=-2,f=-2.9) USER MOD Single : A 94 CYS SG : rot -111:sc= -3.38! USER MOD Single : A 97 ASN : amide:sc= -8.89! C(o=-8.9!,f=-19!) USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= -0.101 (180deg=-0.281) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 105 SER OG : rot 160:sc= -1.23 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 100:sc= 0.00199 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.966 -14.701 0.375 1.00 0.00 N ATOM 212 CA GLN A 16 16.598 -15.167 0.219 1.00 0.00 C ATOM 213 C GLN A 16 15.662 -13.985 -0.044 1.00 0.00 C ATOM 214 O GLN A 16 15.930 -12.868 0.393 1.00 0.00 O ATOM 215 CB GLN A 16 16.146 -15.963 1.445 1.00 0.00 C ATOM 216 CG GLN A 16 15.711 -17.376 1.051 1.00 0.00 C ATOM 217 CD GLN A 16 16.888 -18.177 0.493 1.00 0.00 C ATOM 218 OE1 GLN A 16 17.202 -18.131 -0.685 1.00 0.00 O ATOM 219 NE2 GLN A 16 17.521 -18.913 1.403 1.00 0.00 N ATOM 0 HA GLN A 16 16.558 -15.835 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.960 -16.017 2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.319 -15.447 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.297 -17.888 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.918 -17.321 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.206 -18.906 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.321 -19.484 1.130 1.00 0.00 H new ATOM 228 N LEU A 17 14.583 -14.274 -0.757 1.00 0.00 N ATOM 229 CA LEU A 17 13.606 -13.249 -1.082 1.00 0.00 C ATOM 230 C LEU A 17 12.766 -12.938 0.158 1.00 0.00 C ATOM 231 O LEU A 17 12.496 -13.825 0.967 1.00 0.00 O ATOM 232 CB LEU A 17 12.776 -13.667 -2.298 1.00 0.00 C ATOM 233 CG LEU A 17 13.545 -13.829 -3.611 1.00 0.00 C ATOM 234 CD1 LEU A 17 12.685 -14.527 -4.667 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.076 -12.482 -4.105 1.00 0.00 C ATOM 0 H LEU A 17 14.364 -15.202 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 17 14.106 -12.324 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.283 -14.612 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.991 -12.927 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 17 14.409 -14.467 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.255 -14.630 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.397 -15.515 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.790 -13.935 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.619 -12.625 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.242 -11.801 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.747 -12.059 -3.357 1.00 0.00 H new ATOM 247 N PRO A 18 12.365 -11.644 0.272 1.00 0.00 N ATOM 248 CA PRO A 18 11.562 -11.205 1.400 1.00 0.00 C ATOM 249 C PRO A 18 10.113 -11.677 1.258 1.00 0.00 C ATOM 250 O PRO A 18 9.720 -12.178 0.205 1.00 0.00 O ATOM 251 CB PRO A 18 11.694 -9.691 1.413 1.00 0.00 C ATOM 252 CG PRO A 18 12.183 -9.304 0.027 1.00 0.00 C ATOM 253 CD PRO A 18 12.666 -10.567 -0.667 1.00 0.00 C ATOM 0 HA PRO A 18 11.899 -11.629 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.738 -9.217 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.397 -9.367 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.380 -8.838 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.990 -8.575 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.155 -10.716 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.733 -10.517 -0.883 1.00 0.00 H new ATOM 261 N HIS A 19 9.358 -11.500 2.332 1.00 0.00 N ATOM 262 CA HIS A 19 7.962 -11.901 2.340 1.00 0.00 C ATOM 263 C HIS A 19 7.074 -10.676 2.112 1.00 0.00 C ATOM 264 O HIS A 19 7.485 -9.549 2.383 1.00 0.00 O ATOM 265 CB HIS A 19 7.619 -12.650 3.629 1.00 0.00 C ATOM 266 CG HIS A 19 7.682 -14.154 3.502 1.00 0.00 C ATOM 267 ND1 HIS A 19 6.627 -14.980 3.848 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.682 -14.970 3.061 1.00 0.00 C ATOM 269 CE1 HIS A 19 6.988 -16.235 3.624 1.00 0.00 C ATOM 270 NE2 HIS A 19 8.262 -16.227 3.136 1.00 0.00 N ATOM 0 H HIS A 19 9.687 -11.084 3.203 1.00 0.00 H new ATOM 0 HA HIS A 19 7.776 -12.598 1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.305 -12.333 4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.616 -12.364 3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.651 -14.648 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.380 -17.111 3.797 1.00 0.00 H new ATOM 0 HE2 HIS A 19 8.803 -17.051 2.872 1.00 0.00 H new ATOM 278 N ALA A 20 5.874 -10.939 1.617 1.00 0.00 N ATOM 279 CA ALA A 20 4.925 -9.871 1.350 1.00 0.00 C ATOM 280 C ALA A 20 4.531 -9.203 2.669 1.00 0.00 C ATOM 281 O ALA A 20 4.739 -9.768 3.741 1.00 0.00 O ATOM 282 CB ALA A 20 3.718 -10.438 0.600 1.00 0.00 C ATOM 0 H ALA A 20 5.537 -11.875 1.394 1.00 0.00 H new ATOM 0 HA ALA A 20 5.374 -9.107 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.006 -9.638 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.048 -10.875 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.239 -11.206 1.208 1.00 0.00 H new ATOM 288 N PRO A 21 3.954 -7.978 2.542 1.00 0.00 N ATOM 289 CA PRO A 21 3.529 -7.227 3.711 1.00 0.00 C ATOM 290 C PRO A 21 2.243 -7.810 4.300 1.00 0.00 C ATOM 291 O PRO A 21 1.214 -7.859 3.627 1.00 0.00 O ATOM 292 CB PRO A 21 3.363 -5.798 3.222 1.00 0.00 C ATOM 293 CG PRO A 21 3.249 -5.886 1.708 1.00 0.00 C ATOM 294 CD PRO A 21 3.692 -7.278 1.288 1.00 0.00 C ATOM 0 HA PRO A 21 4.251 -7.274 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.475 -5.338 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.215 -5.184 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.223 -5.700 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.872 -5.128 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.919 -7.781 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.584 -7.238 0.663 1.00 0.00 H new ATOM 302 N GLU A 22 2.343 -8.238 5.550 1.00 0.00 N ATOM 303 CA GLU A 22 1.200 -8.816 6.237 1.00 0.00 C ATOM 304 C GLU A 22 0.294 -7.711 6.782 1.00 0.00 C ATOM 305 O GLU A 22 0.634 -6.531 6.708 1.00 0.00 O ATOM 306 CB GLU A 22 1.652 -9.756 7.356 1.00 0.00 C ATOM 307 CG GLU A 22 2.538 -10.876 6.808 1.00 0.00 C ATOM 308 CD GLU A 22 3.971 -10.745 7.327 1.00 0.00 C ATOM 309 OE1 GLU A 22 4.549 -9.655 7.129 1.00 0.00 O ATOM 310 OE2 GLU A 22 4.457 -11.739 7.910 1.00 0.00 O ATOM 0 H GLU A 22 3.198 -8.196 6.105 1.00 0.00 H new ATOM 0 HA GLU A 22 0.629 -9.406 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.199 -9.191 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.780 -10.186 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.129 -11.843 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.538 -10.845 5.718 1.00 0.00 H new ATOM 317 N HIS A 23 -0.843 -8.132 7.316 1.00 0.00 N ATOM 318 CA HIS A 23 -1.802 -7.192 7.872 1.00 0.00 C ATOM 319 C HIS A 23 -1.926 -5.978 6.950 1.00 0.00 C ATOM 320 O HIS A 23 -1.794 -4.839 7.395 1.00 0.00 O ATOM 321 CB HIS A 23 -1.421 -6.812 9.305 1.00 0.00 C ATOM 322 CG HIS A 23 -2.504 -7.082 10.321 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.567 -6.221 10.531 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.678 -8.126 11.182 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.339 -6.733 11.478 1.00 0.00 C ATOM 326 NE2 HIS A 23 -3.787 -7.913 11.881 1.00 0.00 N ATOM 0 H HIS A 23 -1.122 -9.111 7.376 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.784 -7.661 7.930 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.525 -7.363 9.590 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.167 -5.753 9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.025 -8.981 11.279 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.247 -6.293 11.863 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.164 -8.530 12.600 1.00 0.00 H new ATOM 334 N PRO A 24 -2.185 -6.270 5.647 1.00 0.00 N ATOM 335 CA PRO A 24 -2.328 -5.216 4.657 1.00 0.00 C ATOM 336 C PRO A 24 -3.676 -4.507 4.803 1.00 0.00 C ATOM 337 O PRO A 24 -4.689 -4.981 4.289 1.00 0.00 O ATOM 338 CB PRO A 24 -2.164 -5.911 3.316 1.00 0.00 C ATOM 339 CG PRO A 24 -2.398 -7.389 3.580 1.00 0.00 C ATOM 340 CD PRO A 24 -2.348 -7.608 5.084 1.00 0.00 C ATOM 0 HA PRO A 24 -1.587 -4.425 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.878 -5.527 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.168 -5.740 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.364 -7.700 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.638 -7.991 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.261 -8.082 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.519 -8.259 5.362 1.00 0.00 H new ATOM 348 N VAL A 25 -3.646 -3.384 5.505 1.00 0.00 N ATOM 349 CA VAL A 25 -4.853 -2.606 5.724 1.00 0.00 C ATOM 350 C VAL A 25 -4.819 -1.360 4.837 1.00 0.00 C ATOM 351 O VAL A 25 -3.747 -0.837 4.535 1.00 0.00 O ATOM 352 CB VAL A 25 -5.001 -2.277 7.211 1.00 0.00 C ATOM 353 CG1 VAL A 25 -4.158 -3.224 8.068 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.639 -0.817 7.489 1.00 0.00 C ATOM 0 H VAL A 25 -2.804 -2.994 5.930 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.735 -3.182 5.443 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.047 -2.420 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.281 -2.969 9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.484 -4.251 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.108 -3.128 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.753 -0.610 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.606 -0.636 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.300 -0.163 6.920 1.00 0.00 H new ATOM 364 N ALA A 26 -6.005 -0.919 4.444 1.00 0.00 N ATOM 365 CA ALA A 26 -6.125 0.256 3.598 1.00 0.00 C ATOM 366 C ALA A 26 -7.411 1.006 3.952 1.00 0.00 C ATOM 367 O ALA A 26 -8.505 0.573 3.594 1.00 0.00 O ATOM 368 CB ALA A 26 -6.083 -0.167 2.128 1.00 0.00 C ATOM 0 H ALA A 26 -6.892 -1.355 4.696 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.290 0.936 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.173 0.714 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.138 -0.669 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.908 -0.849 1.922 1.00 0.00 H new ATOM 374 N THR A 27 -7.236 2.117 4.652 1.00 0.00 N ATOM 375 CA THR A 27 -8.368 2.931 5.058 1.00 0.00 C ATOM 376 C THR A 27 -8.245 4.343 4.481 1.00 0.00 C ATOM 377 O THR A 27 -7.179 4.733 4.007 1.00 0.00 O ATOM 378 CB THR A 27 -8.446 2.904 6.586 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.092 2.745 7.000 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.146 1.651 7.114 1.00 0.00 C ATOM 0 H THR A 27 -6.327 2.472 4.948 1.00 0.00 H new ATOM 0 HA THR A 27 -9.303 2.533 4.663 1.00 0.00 H new ATOM 0 HB THR A 27 -8.974 3.790 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.050 2.719 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.174 1.682 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.164 1.612 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.599 0.765 6.790 1.00 0.00 H new ATOM 388 N LEU A 28 -9.351 5.071 4.541 1.00 0.00 N ATOM 389 CA LEU A 28 -9.380 6.431 4.030 1.00 0.00 C ATOM 390 C LEU A 28 -8.690 7.361 5.030 1.00 0.00 C ATOM 391 O LEU A 28 -8.356 6.948 6.139 1.00 0.00 O ATOM 392 CB LEU A 28 -10.813 6.846 3.693 1.00 0.00 C ATOM 393 CG LEU A 28 -11.166 6.888 2.205 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.646 7.221 2.001 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.252 7.857 1.452 1.00 0.00 C ATOM 0 H LEU A 28 -10.233 4.745 4.936 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.825 6.499 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.496 6.156 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.994 7.834 4.117 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.999 5.896 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.870 7.245 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.260 6.461 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.863 8.195 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.524 7.868 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.364 8.859 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.216 7.535 1.556 1.00 0.00 H new ATOM 407 N SER A 29 -8.496 8.600 4.601 1.00 0.00 N ATOM 408 CA SER A 29 -7.852 9.592 5.444 1.00 0.00 C ATOM 409 C SER A 29 -8.897 10.553 6.014 1.00 0.00 C ATOM 410 O SER A 29 -9.557 11.273 5.265 1.00 0.00 O ATOM 411 CB SER A 29 -6.786 10.367 4.667 1.00 0.00 C ATOM 412 OG SER A 29 -5.773 9.509 4.149 1.00 0.00 O ATOM 0 H SER A 29 -8.774 8.939 3.680 1.00 0.00 H new ATOM 0 HA SER A 29 -7.359 9.073 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.257 10.908 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.331 11.112 5.320 1.00 0.00 H new ATOM 0 HG SER A 29 -4.898 9.941 4.244 1.00 0.00 H new ATOM 418 N THR A 30 -9.015 10.534 7.333 1.00 0.00 N ATOM 419 CA THR A 30 -9.969 11.394 8.012 1.00 0.00 C ATOM 420 C THR A 30 -9.312 12.723 8.393 1.00 0.00 C ATOM 421 O THR A 30 -9.611 13.288 9.444 1.00 0.00 O ATOM 422 CB THR A 30 -10.529 10.627 9.211 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.455 10.615 10.147 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.768 9.148 8.900 1.00 0.00 C ATOM 0 H THR A 30 -8.465 9.936 7.950 1.00 0.00 H new ATOM 0 HA THR A 30 -10.801 11.654 7.358 1.00 0.00 H new ATOM 0 HB THR A 30 -11.464 11.086 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.732 10.138 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.166 8.650 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.482 9.059 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.827 8.680 8.612 1.00 0.00 H new ATOM 432 N VAL A 31 -8.430 13.182 7.518 1.00 0.00 N ATOM 433 CA VAL A 31 -7.728 14.433 7.750 1.00 0.00 C ATOM 434 C VAL A 31 -7.216 14.980 6.416 1.00 0.00 C ATOM 435 O VAL A 31 -7.349 16.171 6.137 1.00 0.00 O ATOM 436 CB VAL A 31 -6.614 14.225 8.778 1.00 0.00 C ATOM 437 CG1 VAL A 31 -7.194 13.914 10.159 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.650 13.126 8.327 1.00 0.00 C ATOM 0 H VAL A 31 -8.185 12.710 6.647 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.404 15.178 8.169 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.050 15.154 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.381 13.771 10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.821 14.744 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.794 13.006 10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.868 12.998 9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.195 12.190 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.199 13.406 7.375 1.00 0.00 H new ATOM 448 N GLU A 32 -6.641 14.084 5.627 1.00 0.00 N ATOM 449 CA GLU A 32 -6.108 14.462 4.329 1.00 0.00 C ATOM 450 C GLU A 32 -7.136 14.182 3.231 1.00 0.00 C ATOM 451 O GLU A 32 -7.467 13.027 2.966 1.00 0.00 O ATOM 452 CB GLU A 32 -4.791 13.738 4.045 1.00 0.00 C ATOM 453 CG GLU A 32 -3.601 14.531 4.589 1.00 0.00 C ATOM 454 CD GLU A 32 -2.995 13.841 5.812 1.00 0.00 C ATOM 455 OE1 GLU A 32 -2.747 12.620 5.710 1.00 0.00 O ATOM 456 OE2 GLU A 32 -2.794 14.549 6.822 1.00 0.00 O ATOM 0 H GLU A 32 -6.533 13.097 5.862 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.901 15.532 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.811 12.748 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.676 13.593 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.843 14.634 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.922 15.538 4.857 1.00 0.00 H new ATOM 463 N ARG A 33 -7.613 15.258 2.622 1.00 0.00 N ATOM 464 CA ARG A 33 -8.596 15.142 1.559 1.00 0.00 C ATOM 465 C ARG A 33 -8.067 14.239 0.442 1.00 0.00 C ATOM 466 O ARG A 33 -6.918 14.373 0.023 1.00 0.00 O ATOM 467 CB ARG A 33 -8.942 16.513 0.976 1.00 0.00 C ATOM 468 CG ARG A 33 -9.659 17.384 2.010 1.00 0.00 C ATOM 469 CD ARG A 33 -11.170 17.385 1.771 1.00 0.00 C ATOM 470 NE ARG A 33 -11.769 18.621 2.323 1.00 0.00 N ATOM 471 CZ ARG A 33 -11.643 19.832 1.763 1.00 0.00 C ATOM 472 NH1 ARG A 33 -10.939 19.977 0.632 1.00 0.00 N ATOM 473 NH2 ARG A 33 -12.220 20.898 2.334 1.00 0.00 N ATOM 0 H ARG A 33 -7.337 16.214 2.845 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.497 14.705 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.031 17.011 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.575 16.389 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.446 17.014 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.278 18.404 1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.378 17.316 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.621 16.511 2.241 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.312 18.546 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.499 19.166 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.843 20.899 0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.755 20.788 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.124 21.820 1.907 1.00 0.00 H new ATOM 487 N ARG A 34 -8.930 13.340 -0.008 1.00 0.00 N ATOM 488 CA ARG A 34 -8.564 12.416 -1.067 1.00 0.00 C ATOM 489 C ARG A 34 -7.246 11.717 -0.730 1.00 0.00 C ATOM 490 O ARG A 34 -6.344 11.648 -1.564 1.00 0.00 O ATOM 491 CB ARG A 34 -8.420 13.143 -2.406 1.00 0.00 C ATOM 492 CG ARG A 34 -9.618 14.059 -2.665 1.00 0.00 C ATOM 493 CD ARG A 34 -10.723 13.316 -3.419 1.00 0.00 C ATOM 494 NE ARG A 34 -11.455 14.255 -4.297 1.00 0.00 N ATOM 495 CZ ARG A 34 -12.257 15.232 -3.851 1.00 0.00 C ATOM 496 NH1 ARG A 34 -12.433 15.403 -2.533 1.00 0.00 N ATOM 497 NH2 ARG A 34 -12.881 16.037 -4.721 1.00 0.00 N ATOM 0 H ARG A 34 -9.882 13.232 0.342 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.360 11.676 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.502 13.730 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.334 12.414 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.007 14.432 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.299 14.927 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.291 12.511 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.412 12.855 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.342 14.152 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.957 14.790 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.043 16.146 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.746 15.907 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.491 16.780 -4.381 1.00 0.00 H new ATOM 511 N ALA A 35 -7.176 11.215 0.495 1.00 0.00 N ATOM 512 CA ALA A 35 -5.983 10.523 0.953 1.00 0.00 C ATOM 513 C ALA A 35 -6.389 9.224 1.652 1.00 0.00 C ATOM 514 O ALA A 35 -7.373 9.193 2.389 1.00 0.00 O ATOM 515 CB ALA A 35 -5.175 11.449 1.865 1.00 0.00 C ATOM 0 H ALA A 35 -7.926 11.274 1.184 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.345 10.258 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.280 10.931 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.887 12.343 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.782 11.734 2.724 1.00 0.00 H new ATOM 521 N ILE A 36 -5.609 8.184 1.396 1.00 0.00 N ATOM 522 CA ILE A 36 -5.875 6.886 1.992 1.00 0.00 C ATOM 523 C ILE A 36 -4.674 6.462 2.840 1.00 0.00 C ATOM 524 O ILE A 36 -3.528 6.701 2.461 1.00 0.00 O ATOM 525 CB ILE A 36 -6.256 5.869 0.914 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.508 6.316 0.156 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.416 4.470 1.511 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.810 5.371 -1.008 1.00 0.00 C ATOM 0 H ILE A 36 -4.793 8.214 0.784 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.733 6.944 2.661 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.443 5.818 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.359 6.344 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.367 7.329 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.687 3.767 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.476 4.159 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.199 4.485 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.704 5.711 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.967 5.364 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.974 4.364 -0.626 1.00 0.00 H new ATOM 540 N ASN A 37 -4.977 5.842 3.971 1.00 0.00 N ATOM 541 CA ASN A 37 -3.936 5.384 4.875 1.00 0.00 C ATOM 542 C ASN A 37 -3.755 3.873 4.713 1.00 0.00 C ATOM 543 O ASN A 37 -4.728 3.121 4.743 1.00 0.00 O ATOM 544 CB ASN A 37 -4.311 5.662 6.332 1.00 0.00 C ATOM 545 CG ASN A 37 -3.400 6.731 6.938 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.188 6.704 6.797 1.00 0.00 O ATOM 547 ND2 ASN A 37 -4.048 7.672 7.619 1.00 0.00 N ATOM 0 H ASN A 37 -5.929 5.646 4.282 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.018 5.918 4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.349 5.990 6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.235 4.743 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.529 8.430 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.064 7.635 7.699 1.00 0.00 H new ATOM 554 N LEU A 38 -2.503 3.474 4.546 1.00 0.00 N ATOM 555 CA LEU A 38 -2.182 2.066 4.380 1.00 0.00 C ATOM 556 C LEU A 38 -1.158 1.653 5.439 1.00 0.00 C ATOM 557 O LEU A 38 -0.183 2.365 5.676 1.00 0.00 O ATOM 558 CB LEU A 38 -1.731 1.785 2.945 1.00 0.00 C ATOM 559 CG LEU A 38 -1.741 0.317 2.514 1.00 0.00 C ATOM 560 CD1 LEU A 38 -3.013 -0.016 1.731 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.476 -0.032 1.728 1.00 0.00 C ATOM 0 H LEU A 38 -1.699 4.101 4.522 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.069 1.452 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.374 2.347 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.720 2.173 2.820 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.744 -0.302 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.995 -1.065 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.885 0.170 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.066 0.610 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.508 -1.081 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.417 0.593 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.400 0.143 2.352 1.00 0.00 H new ATOM 573 N THR A 39 -1.413 0.503 6.046 1.00 0.00 N ATOM 574 CA THR A 39 -0.526 -0.013 7.074 1.00 0.00 C ATOM 575 C THR A 39 -0.424 -1.537 6.974 1.00 0.00 C ATOM 576 O THR A 39 -1.439 -2.231 6.957 1.00 0.00 O ATOM 577 CB THR A 39 -1.039 0.473 8.430 1.00 0.00 C ATOM 578 OG1 THR A 39 -1.903 -0.571 8.870 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.958 1.690 8.307 1.00 0.00 C ATOM 0 H THR A 39 -2.221 -0.086 5.845 1.00 0.00 H new ATOM 0 HA THR A 39 0.490 0.360 6.943 1.00 0.00 H new ATOM 0 HB THR A 39 -0.192 0.721 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.279 -0.338 9.745 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.294 1.994 9.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.414 2.511 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.822 1.433 7.694 1.00 0.00 H new ATOM 587 N TRP A 40 0.811 -2.012 6.910 1.00 0.00 N ATOM 588 CA TRP A 40 1.059 -3.441 6.812 1.00 0.00 C ATOM 589 C TRP A 40 2.020 -3.832 7.936 1.00 0.00 C ATOM 590 O TRP A 40 2.464 -2.979 8.703 1.00 0.00 O ATOM 591 CB TRP A 40 1.581 -3.812 5.422 1.00 0.00 C ATOM 592 CG TRP A 40 2.852 -3.065 5.014 1.00 0.00 C ATOM 593 CD1 TRP A 40 4.121 -3.488 5.096 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.926 -1.737 4.453 1.00 0.00 C ATOM 595 NE1 TRP A 40 5.003 -2.534 4.631 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.253 -1.436 4.228 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.904 -0.821 4.146 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.682 -0.218 3.686 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.349 0.391 3.605 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.682 0.710 3.372 1.00 0.00 C ATOM 0 H TRP A 40 1.651 -1.433 6.924 1.00 0.00 H new ATOM 0 HA TRP A 40 0.133 -4.003 6.935 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.777 -4.884 5.393 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.802 -3.610 4.687 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.416 -4.454 5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.019 -2.619 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.859 -1.036 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.728 -0.006 3.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.604 1.131 3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.945 1.669 2.951 1.00 0.00 H new ATOM 611 N THR A 41 2.313 -5.123 7.998 1.00 0.00 N ATOM 612 CA THR A 41 3.214 -5.637 9.016 1.00 0.00 C ATOM 613 C THR A 41 4.600 -5.893 8.421 1.00 0.00 C ATOM 614 O THR A 41 4.737 -6.077 7.213 1.00 0.00 O ATOM 615 CB THR A 41 2.574 -6.886 9.625 1.00 0.00 C ATOM 616 OG1 THR A 41 2.075 -6.442 10.884 1.00 0.00 O ATOM 617 CG2 THR A 41 3.607 -7.955 9.989 1.00 0.00 C ATOM 0 H THR A 41 1.943 -5.828 7.360 1.00 0.00 H new ATOM 0 HA THR A 41 3.367 -4.910 9.814 1.00 0.00 H new ATOM 0 HB THR A 41 1.852 -7.303 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.642 -7.190 11.346 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.100 -8.820 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.148 -8.258 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.310 -7.549 10.717 1.00 0.00 H new ATOM 625 N LYS A 42 5.593 -5.896 9.298 1.00 0.00 N ATOM 626 CA LYS A 42 6.964 -6.126 8.875 1.00 0.00 C ATOM 627 C LYS A 42 7.178 -7.623 8.645 1.00 0.00 C ATOM 628 O LYS A 42 7.152 -8.410 9.590 1.00 0.00 O ATOM 629 CB LYS A 42 7.944 -5.511 9.876 1.00 0.00 C ATOM 630 CG LYS A 42 9.190 -4.976 9.167 1.00 0.00 C ATOM 631 CD LYS A 42 10.315 -6.013 9.179 1.00 0.00 C ATOM 632 CE LYS A 42 11.672 -5.351 8.927 1.00 0.00 C ATOM 633 NZ LYS A 42 12.064 -4.516 10.084 1.00 0.00 N ATOM 0 H LYS A 42 5.476 -5.743 10.300 1.00 0.00 H new ATOM 0 HA LYS A 42 7.159 -5.627 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.455 -4.702 10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.234 -6.260 10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.943 -4.714 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.527 -4.062 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.330 -6.528 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.127 -6.768 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.429 -6.115 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.622 -4.737 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.097 -4.395 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.607 -3.585 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.764 -4.981 10.965 1.00 0.00 H new ATOM 647 N PRO A 43 7.391 -7.982 7.351 1.00 0.00 N ATOM 648 CA PRO A 43 7.609 -9.371 6.985 1.00 0.00 C ATOM 649 C PRO A 43 9.015 -9.827 7.378 1.00 0.00 C ATOM 650 O PRO A 43 9.814 -9.032 7.872 1.00 0.00 O ATOM 651 CB PRO A 43 7.365 -9.426 5.486 1.00 0.00 C ATOM 652 CG PRO A 43 7.475 -7.992 4.992 1.00 0.00 C ATOM 653 CD PRO A 43 7.429 -7.077 6.205 1.00 0.00 C ATOM 0 HA PRO A 43 6.941 -10.054 7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.098 -10.066 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.381 -9.841 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.404 -7.848 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.659 -7.760 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.302 -6.426 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.551 -6.431 6.181 1.00 0.00 H new ATOM 661 N PHE A 44 9.275 -11.105 7.145 1.00 0.00 N ATOM 662 CA PHE A 44 10.571 -11.677 7.469 1.00 0.00 C ATOM 663 C PHE A 44 11.550 -11.512 6.305 1.00 0.00 C ATOM 664 O PHE A 44 11.251 -11.905 5.178 1.00 0.00 O ATOM 665 CB PHE A 44 10.350 -13.169 7.727 1.00 0.00 C ATOM 666 CG PHE A 44 11.643 -13.965 7.918 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.481 -14.164 6.865 1.00 0.00 C ATOM 668 CD2 PHE A 44 11.954 -14.474 9.140 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.680 -14.903 7.042 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.153 -15.214 9.317 1.00 0.00 C ATOM 671 CZ PHE A 44 13.991 -15.412 8.264 1.00 0.00 C ATOM 0 H PHE A 44 8.610 -11.761 6.735 1.00 0.00 H new ATOM 0 HA PHE A 44 10.993 -11.172 8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.729 -13.286 8.615 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.794 -13.594 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.234 -13.760 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.289 -14.315 9.976 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.345 -15.061 6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.399 -15.619 10.287 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.904 -15.974 8.399 1.00 0.00 H new ATOM 681 N ASP A 45 12.699 -10.930 6.617 1.00 0.00 N ATOM 682 CA ASP A 45 13.723 -10.709 5.610 1.00 0.00 C ATOM 683 C ASP A 45 14.452 -12.025 5.332 1.00 0.00 C ATOM 684 O ASP A 45 14.865 -12.718 6.261 1.00 0.00 O ATOM 685 CB ASP A 45 14.756 -9.688 6.091 1.00 0.00 C ATOM 686 CG ASP A 45 15.690 -10.185 7.197 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.298 -10.046 8.376 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.774 -10.693 6.839 1.00 0.00 O ATOM 0 H ASP A 45 12.943 -10.605 7.552 1.00 0.00 H new ATOM 0 HA ASP A 45 13.236 -10.333 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.360 -9.376 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.230 -8.803 6.450 1.00 0.00 H new ATOM 693 N GLY A 46 14.588 -12.330 4.050 1.00 0.00 N ATOM 694 CA GLY A 46 15.260 -13.551 3.639 1.00 0.00 C ATOM 695 C GLY A 46 16.637 -13.666 4.295 1.00 0.00 C ATOM 696 O GLY A 46 17.018 -14.738 4.763 1.00 0.00 O ATOM 0 H GLY A 46 14.244 -11.753 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.651 -14.414 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.368 -13.564 2.554 1.00 0.00 H new ATOM 700 N ASN A 47 17.347 -12.547 4.308 1.00 0.00 N ATOM 701 CA ASN A 47 18.674 -12.510 4.899 1.00 0.00 C ATOM 702 C ASN A 47 19.226 -11.085 4.812 1.00 0.00 C ATOM 703 O ASN A 47 19.899 -10.620 5.730 1.00 0.00 O ATOM 704 CB ASN A 47 19.636 -13.436 4.152 1.00 0.00 C ATOM 705 CG ASN A 47 20.289 -14.435 5.108 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.761 -14.766 6.157 1.00 0.00 O ATOM 707 ND2 ASN A 47 21.464 -14.897 4.690 1.00 0.00 N ATOM 0 H ASN A 47 17.028 -11.660 3.919 1.00 0.00 H new ATOM 0 HA ASN A 47 18.591 -12.837 5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.097 -13.973 3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.406 -12.844 3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.979 -15.570 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.850 -14.579 3.801 1.00 0.00 H new ATOM 714 N SER A 48 18.920 -10.433 3.700 1.00 0.00 N ATOM 715 CA SER A 48 19.377 -9.071 3.482 1.00 0.00 C ATOM 716 C SER A 48 18.308 -8.080 3.947 1.00 0.00 C ATOM 717 O SER A 48 17.142 -8.442 4.092 1.00 0.00 O ATOM 718 CB SER A 48 19.716 -8.833 2.009 1.00 0.00 C ATOM 719 OG SER A 48 20.990 -8.214 1.848 1.00 0.00 O ATOM 0 H SER A 48 18.361 -10.822 2.941 1.00 0.00 H new ATOM 0 HA SER A 48 20.285 -8.917 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.705 -9.784 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.948 -8.205 1.557 1.00 0.00 H new ATOM 0 HG SER A 48 21.171 -8.080 0.894 1.00 0.00 H new ATOM 725 N PRO A 49 18.756 -6.816 4.174 1.00 0.00 N ATOM 726 CA PRO A 49 17.852 -5.770 4.619 1.00 0.00 C ATOM 727 C PRO A 49 16.965 -5.286 3.470 1.00 0.00 C ATOM 728 O PRO A 49 17.379 -5.301 2.313 1.00 0.00 O ATOM 729 CB PRO A 49 18.754 -4.679 5.173 1.00 0.00 C ATOM 730 CG PRO A 49 20.135 -4.948 4.597 1.00 0.00 C ATOM 731 CD PRO A 49 20.131 -6.351 4.013 1.00 0.00 C ATOM 0 HA PRO A 49 17.153 -6.115 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.396 -3.691 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.774 -4.704 6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.377 -4.215 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.896 -4.859 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.426 -6.344 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.832 -7.000 4.537 1.00 0.00 H new ATOM 739 N LEU A 50 15.760 -4.867 3.831 1.00 0.00 N ATOM 740 CA LEU A 50 14.811 -4.380 2.845 1.00 0.00 C ATOM 741 C LEU A 50 15.353 -3.096 2.213 1.00 0.00 C ATOM 742 O LEU A 50 15.898 -2.240 2.908 1.00 0.00 O ATOM 743 CB LEU A 50 13.424 -4.219 3.470 1.00 0.00 C ATOM 744 CG LEU A 50 12.784 -5.496 4.019 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.432 -5.196 4.668 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.673 -6.566 2.931 1.00 0.00 C ATOM 0 H LEU A 50 15.420 -4.855 4.793 1.00 0.00 H new ATOM 0 HA LEU A 50 14.691 -5.106 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.494 -3.494 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.756 -3.795 2.720 1.00 0.00 H new ATOM 0 HG LEU A 50 13.433 -5.896 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.999 -6.120 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.571 -4.494 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.762 -4.760 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.215 -7.463 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.058 -6.191 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.667 -6.808 2.555 1.00 0.00 H new ATOM 758 N ILE A 51 15.185 -3.003 0.902 1.00 0.00 N ATOM 759 CA ILE A 51 15.651 -1.839 0.168 1.00 0.00 C ATOM 760 C ILE A 51 14.491 -0.856 -0.010 1.00 0.00 C ATOM 761 O ILE A 51 14.644 0.340 0.232 1.00 0.00 O ATOM 762 CB ILE A 51 16.306 -2.261 -1.148 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.709 -2.823 -0.906 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.316 -1.106 -2.151 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.344 -3.293 -2.216 1.00 0.00 C ATOM 0 H ILE A 51 14.732 -3.715 0.329 1.00 0.00 H new ATOM 0 HA ILE A 51 16.427 -1.320 0.731 1.00 0.00 H new ATOM 0 HB ILE A 51 15.709 -3.061 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.337 -2.059 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.655 -3.655 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.787 -1.433 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.292 -0.793 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.876 -0.268 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.340 -3.688 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.727 -4.074 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.418 -2.453 -2.906 1.00 0.00 H new ATOM 777 N ARG A 52 13.358 -1.398 -0.431 1.00 0.00 N ATOM 778 CA ARG A 52 12.173 -0.585 -0.644 1.00 0.00 C ATOM 779 C ARG A 52 10.959 -1.476 -0.915 1.00 0.00 C ATOM 780 O ARG A 52 11.020 -2.689 -0.724 1.00 0.00 O ATOM 781 CB ARG A 52 12.367 0.373 -1.822 1.00 0.00 C ATOM 782 CG ARG A 52 12.442 -0.392 -3.144 1.00 0.00 C ATOM 783 CD ARG A 52 12.340 0.562 -4.336 1.00 0.00 C ATOM 784 NE ARG A 52 13.664 0.711 -4.980 1.00 0.00 N ATOM 785 CZ ARG A 52 14.219 -0.210 -5.779 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.567 -1.352 -6.039 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.425 0.011 -6.320 1.00 0.00 N ATOM 0 H ARG A 52 13.235 -2.391 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 52 12.004 -0.001 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.542 1.085 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.281 0.950 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.380 -0.945 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.637 -1.125 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.617 0.180 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.976 1.534 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 52 14.187 1.569 -4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.648 -1.520 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.989 -2.053 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.921 0.881 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.847 -0.690 -6.928 1.00 0.00 H new ATOM 801 N TYR A 53 9.884 -0.839 -1.357 1.00 0.00 N ATOM 802 CA TYR A 53 8.658 -1.558 -1.656 1.00 0.00 C ATOM 803 C TYR A 53 7.912 -0.909 -2.824 1.00 0.00 C ATOM 804 O TYR A 53 7.739 0.308 -2.855 1.00 0.00 O ATOM 805 CB TYR A 53 7.794 -1.461 -0.398 1.00 0.00 C ATOM 806 CG TYR A 53 8.016 -2.600 0.599 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.182 -2.656 1.335 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.050 -3.572 0.762 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.391 -3.728 2.274 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.259 -4.644 1.700 1.00 0.00 C ATOM 811 CZ TYR A 53 8.419 -4.669 2.410 1.00 0.00 C ATOM 812 OH TYR A 53 8.616 -5.682 3.296 1.00 0.00 O ATOM 0 H TYR A 53 9.837 0.168 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 53 8.877 -2.589 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.998 -0.512 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.744 -1.448 -0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 53 9.938 -1.896 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.137 -3.529 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.299 -3.783 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.511 -5.411 1.837 1.00 0.00 H new ATOM 0 HH TYR A 53 8.132 -5.490 4.126 1.00 0.00 H new ATOM 822 N ILE A 54 7.491 -1.751 -3.757 1.00 0.00 N ATOM 823 CA ILE A 54 6.768 -1.274 -4.923 1.00 0.00 C ATOM 824 C ILE A 54 5.264 -1.335 -4.646 1.00 0.00 C ATOM 825 O ILE A 54 4.656 -2.401 -4.737 1.00 0.00 O ATOM 826 CB ILE A 54 7.195 -2.048 -6.172 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.708 -1.957 -6.382 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.416 -1.579 -7.402 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.166 -2.906 -7.491 1.00 0.00 C ATOM 0 H ILE A 54 7.637 -2.760 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 54 7.014 -0.231 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 54 6.953 -3.100 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.982 -0.934 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.223 -2.202 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.739 -2.146 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.350 -1.739 -7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.603 -0.518 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.245 -2.821 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.912 -3.931 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.668 -2.643 -8.424 1.00 0.00 H new ATOM 841 N LEU A 55 4.708 -0.179 -4.315 1.00 0.00 N ATOM 842 CA LEU A 55 3.288 -0.088 -4.024 1.00 0.00 C ATOM 843 C LEU A 55 2.527 0.231 -5.313 1.00 0.00 C ATOM 844 O LEU A 55 2.741 1.279 -5.921 1.00 0.00 O ATOM 845 CB LEU A 55 3.034 0.914 -2.897 1.00 0.00 C ATOM 846 CG LEU A 55 1.581 1.350 -2.701 1.00 0.00 C ATOM 847 CD1 LEU A 55 1.250 2.562 -3.574 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.621 0.185 -2.949 1.00 0.00 C ATOM 0 H LEU A 55 5.216 0.703 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 55 2.913 -1.044 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.391 0.479 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.637 1.802 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 55 1.453 1.657 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.211 2.852 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.903 3.393 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.400 2.307 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.405 0.522 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.743 -0.176 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.841 -0.622 -2.251 1.00 0.00 H new ATOM 860 N GLU A 56 1.655 -0.692 -5.692 1.00 0.00 N ATOM 861 CA GLU A 56 0.862 -0.522 -6.897 1.00 0.00 C ATOM 862 C GLU A 56 -0.608 -0.294 -6.538 1.00 0.00 C ATOM 863 O GLU A 56 -1.143 -0.956 -5.650 1.00 0.00 O ATOM 864 CB GLU A 56 1.018 -1.724 -7.830 1.00 0.00 C ATOM 865 CG GLU A 56 2.235 -1.556 -8.742 1.00 0.00 C ATOM 866 CD GLU A 56 2.555 -2.860 -9.477 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.305 -3.671 -8.893 1.00 0.00 O ATOM 868 OE2 GLU A 56 2.041 -3.016 -10.605 1.00 0.00 O ATOM 0 H GLU A 56 1.480 -1.560 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 56 1.227 0.358 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.124 -2.635 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.119 -1.838 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.045 -0.764 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.097 -1.247 -8.151 1.00 0.00 H new ATOM 875 N MET A 57 -1.218 0.644 -7.246 1.00 0.00 N ATOM 876 CA MET A 57 -2.616 0.968 -7.013 1.00 0.00 C ATOM 877 C MET A 57 -3.467 0.640 -8.241 1.00 0.00 C ATOM 878 O MET A 57 -3.009 0.783 -9.374 1.00 0.00 O ATOM 879 CB MET A 57 -2.747 2.456 -6.682 1.00 0.00 C ATOM 880 CG MET A 57 -4.217 2.865 -6.573 1.00 0.00 C ATOM 881 SD MET A 57 -4.364 4.642 -6.655 1.00 0.00 S ATOM 882 CE MET A 57 -4.109 4.894 -8.404 1.00 0.00 C ATOM 0 H MET A 57 -0.770 1.191 -7.982 1.00 0.00 H new ATOM 0 HA MET A 57 -2.974 0.368 -6.176 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.236 2.670 -5.744 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.257 3.049 -7.454 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.791 2.407 -7.378 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.636 2.500 -5.635 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.360 5.922 -8.664 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.065 4.702 -8.651 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.747 4.212 -8.967 1.00 0.00 H new ATOM 892 N SER A 58 -4.690 0.207 -7.975 1.00 0.00 N ATOM 893 CA SER A 58 -5.609 -0.143 -9.045 1.00 0.00 C ATOM 894 C SER A 58 -6.883 0.698 -8.936 1.00 0.00 C ATOM 895 O SER A 58 -7.599 0.621 -7.938 1.00 0.00 O ATOM 896 CB SER A 58 -5.953 -1.633 -9.012 1.00 0.00 C ATOM 897 OG SER A 58 -7.321 -1.873 -9.329 1.00 0.00 O ATOM 0 H SER A 58 -5.066 0.090 -7.034 1.00 0.00 H new ATOM 0 HA SER A 58 -5.121 0.068 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.318 -2.167 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.735 -2.033 -8.022 1.00 0.00 H new ATOM 0 HG SER A 58 -7.500 -2.836 -9.299 1.00 0.00 H new ATOM 903 N GLU A 59 -7.127 1.482 -9.976 1.00 0.00 N ATOM 904 CA GLU A 59 -8.302 2.337 -10.009 1.00 0.00 C ATOM 905 C GLU A 59 -9.388 1.711 -10.887 1.00 0.00 C ATOM 906 O GLU A 59 -9.404 1.913 -12.100 1.00 0.00 O ATOM 907 CB GLU A 59 -7.944 3.742 -10.497 1.00 0.00 C ATOM 908 CG GLU A 59 -9.108 4.711 -10.279 1.00 0.00 C ATOM 909 CD GLU A 59 -8.821 6.067 -10.927 1.00 0.00 C ATOM 910 OE1 GLU A 59 -7.819 6.691 -10.517 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.610 6.449 -11.818 1.00 0.00 O ATOM 0 H GLU A 59 -6.531 1.543 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.690 2.429 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.062 4.102 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.687 3.709 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.021 4.289 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.280 4.844 -9.211 1.00 0.00 H new ATOM 918 N ASN A 60 -10.270 0.965 -10.239 1.00 0.00 N ATOM 919 CA ASN A 60 -11.357 0.308 -10.945 1.00 0.00 C ATOM 920 C ASN A 60 -10.781 -0.562 -12.064 1.00 0.00 C ATOM 921 O ASN A 60 -10.221 -0.047 -13.030 1.00 0.00 O ATOM 922 CB ASN A 60 -12.299 1.333 -11.580 1.00 0.00 C ATOM 923 CG ASN A 60 -13.139 2.041 -10.515 1.00 0.00 C ATOM 924 OD1 ASN A 60 -12.499 3.024 -9.887 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -14.291 1.716 -10.278 1.00 0.00 N flip ATOM 0 H ASN A 60 -10.254 0.801 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.911 -0.295 -10.226 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.719 2.068 -12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.955 0.835 -12.294 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.722 0.952 -10.798 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.823 2.209 -9.560 1.00 0.00 H new ATOM 932 N ASN A 61 -10.940 -1.867 -11.896 1.00 0.00 N ATOM 933 CA ASN A 61 -10.443 -2.813 -12.880 1.00 0.00 C ATOM 934 C ASN A 61 -9.237 -2.207 -13.601 1.00 0.00 C ATOM 935 O ASN A 61 -9.142 -2.276 -14.825 1.00 0.00 O ATOM 936 CB ASN A 61 -11.510 -3.130 -13.929 1.00 0.00 C ATOM 937 CG ASN A 61 -12.475 -4.204 -13.422 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.245 -5.394 -13.556 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.565 -3.718 -12.835 1.00 0.00 N ATOM 0 H ASN A 61 -11.406 -2.291 -11.094 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.169 -3.729 -12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.065 -2.224 -14.174 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.032 -3.470 -14.848 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.271 -4.354 -12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.695 -2.709 -12.756 1.00 0.00 H new ATOM 946 N ALA A 62 -8.345 -1.627 -12.810 1.00 0.00 N ATOM 947 CA ALA A 62 -7.150 -1.010 -13.358 1.00 0.00 C ATOM 948 C ALA A 62 -5.944 -1.912 -13.086 1.00 0.00 C ATOM 949 O ALA A 62 -5.907 -2.618 -12.080 1.00 0.00 O ATOM 950 CB ALA A 62 -6.977 0.388 -12.760 1.00 0.00 C ATOM 0 H ALA A 62 -8.427 -1.572 -11.795 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.239 -0.895 -14.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.080 0.851 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.846 0.999 -13.005 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.882 0.311 -11.677 1.00 0.00 H new ATOM 956 N PRO A 63 -4.963 -1.859 -14.026 1.00 0.00 N ATOM 957 CA PRO A 63 -3.759 -2.663 -13.898 1.00 0.00 C ATOM 958 C PRO A 63 -2.823 -2.083 -12.837 1.00 0.00 C ATOM 959 O PRO A 63 -2.622 -0.870 -12.776 1.00 0.00 O ATOM 960 CB PRO A 63 -3.146 -2.676 -15.289 1.00 0.00 C ATOM 961 CG PRO A 63 -3.769 -1.506 -16.031 1.00 0.00 C ATOM 962 CD PRO A 63 -4.973 -1.034 -15.231 1.00 0.00 C ATOM 0 HA PRO A 63 -3.964 -3.678 -13.558 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.062 -2.574 -15.239 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.354 -3.617 -15.799 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.046 -0.698 -16.145 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.071 -1.807 -17.034 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.895 0.025 -14.986 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.898 -1.165 -15.793 1.00 0.00 H new ATOM 970 N TRP A 64 -2.274 -2.975 -12.026 1.00 0.00 N ATOM 971 CA TRP A 64 -1.363 -2.567 -10.970 1.00 0.00 C ATOM 972 C TRP A 64 -0.400 -1.530 -11.551 1.00 0.00 C ATOM 973 O TRP A 64 0.484 -1.869 -12.336 1.00 0.00 O ATOM 974 CB TRP A 64 -0.646 -3.777 -10.367 1.00 0.00 C ATOM 975 CG TRP A 64 -1.588 -4.837 -9.793 1.00 0.00 C ATOM 976 CD1 TRP A 64 -1.699 -6.123 -10.152 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.554 -4.648 -8.738 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.662 -6.775 -9.409 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.198 -5.849 -8.521 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.873 -3.501 -7.991 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.201 -6.019 -7.559 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.878 -3.686 -7.034 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.536 -4.889 -6.803 1.00 0.00 C ATOM 0 H TRP A 64 -2.443 -3.980 -12.079 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.909 -2.111 -10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.023 -4.237 -11.134 1.00 0.00 H new ATOM 0 HB3 TRP A 64 0.022 -3.434 -9.577 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.109 -6.591 -10.926 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.931 -7.755 -9.495 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.381 -2.551 -8.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.690 -6.970 -7.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.162 -2.835 -6.433 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.302 -4.951 -6.044 1.00 0.00 H new ATOM 994 N THR A 65 -0.604 -0.286 -11.143 1.00 0.00 N ATOM 995 CA THR A 65 0.235 0.803 -11.613 1.00 0.00 C ATOM 996 C THR A 65 1.226 1.221 -10.525 1.00 0.00 C ATOM 997 O THR A 65 0.823 1.657 -9.448 1.00 0.00 O ATOM 998 CB THR A 65 -0.680 1.941 -12.071 1.00 0.00 C ATOM 999 OG1 THR A 65 0.089 2.630 -13.053 1.00 0.00 O ATOM 1000 CG2 THR A 65 -0.908 2.985 -10.976 1.00 0.00 C ATOM 0 H THR A 65 -1.338 -0.008 -10.492 1.00 0.00 H new ATOM 0 HA THR A 65 0.844 0.494 -12.462 1.00 0.00 H new ATOM 0 HB THR A 65 -1.639 1.531 -12.387 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.430 3.383 -13.405 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.564 3.770 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.371 2.510 -10.111 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.048 3.420 -10.683 1.00 0.00 H new ATOM 1008 N VAL A 66 2.503 1.072 -10.844 1.00 0.00 N ATOM 1009 CA VAL A 66 3.555 1.429 -9.907 1.00 0.00 C ATOM 1010 C VAL A 66 3.398 2.897 -9.504 1.00 0.00 C ATOM 1011 O VAL A 66 3.801 3.793 -10.244 1.00 0.00 O ATOM 1012 CB VAL A 66 4.925 1.119 -10.515 1.00 0.00 C ATOM 1013 CG1 VAL A 66 6.052 1.541 -9.570 1.00 0.00 C ATOM 1014 CG2 VAL A 66 5.040 -0.362 -10.880 1.00 0.00 C ATOM 0 H VAL A 66 2.833 0.709 -11.738 1.00 0.00 H new ATOM 0 HA VAL A 66 3.475 0.833 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 66 5.024 1.698 -11.433 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.015 1.310 -10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.987 2.613 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.958 1.001 -8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.023 -0.556 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.910 -0.969 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.269 -0.619 -11.607 1.00 0.00 H new ATOM 1024 N LEU A 67 2.811 3.096 -8.333 1.00 0.00 N ATOM 1025 CA LEU A 67 2.595 4.440 -7.824 1.00 0.00 C ATOM 1026 C LEU A 67 3.867 4.926 -7.127 1.00 0.00 C ATOM 1027 O LEU A 67 4.442 5.942 -7.514 1.00 0.00 O ATOM 1028 CB LEU A 67 1.352 4.482 -6.934 1.00 0.00 C ATOM 1029 CG LEU A 67 0.069 4.987 -7.597 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.024 5.240 -6.557 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.345 6.226 -8.452 1.00 0.00 C ATOM 0 H LEU A 67 2.478 2.350 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 67 2.395 5.131 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.169 3.478 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.567 5.116 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.298 4.209 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.925 5.598 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.246 4.312 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.681 5.990 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.583 6.565 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.749 7.019 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.066 5.977 -9.231 1.00 0.00 H new ATOM 1043 N LEU A 68 4.270 4.178 -6.110 1.00 0.00 N ATOM 1044 CA LEU A 68 5.463 4.520 -5.355 1.00 0.00 C ATOM 1045 C LEU A 68 6.555 3.487 -5.640 1.00 0.00 C ATOM 1046 O LEU A 68 6.456 2.339 -5.208 1.00 0.00 O ATOM 1047 CB LEU A 68 5.132 4.672 -3.869 1.00 0.00 C ATOM 1048 CG LEU A 68 5.402 6.049 -3.259 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.909 6.113 -1.812 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.881 6.421 -3.378 1.00 0.00 C ATOM 0 H LEU A 68 3.791 3.336 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 68 5.850 5.489 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.078 4.433 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.705 3.931 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 68 4.838 6.790 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.113 7.102 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.836 5.923 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.426 5.360 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.046 7.404 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.486 5.682 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.167 6.443 -4.430 1.00 0.00 H new ATOM 1062 N ALA A 69 7.572 3.931 -6.364 1.00 0.00 N ATOM 1063 CA ALA A 69 8.681 3.059 -6.711 1.00 0.00 C ATOM 1064 C ALA A 69 9.696 3.051 -5.566 1.00 0.00 C ATOM 1065 O ALA A 69 10.183 1.993 -5.171 1.00 0.00 O ATOM 1066 CB ALA A 69 9.298 3.519 -8.034 1.00 0.00 C ATOM 0 H ALA A 69 7.651 4.884 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 69 8.334 2.035 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.130 2.865 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.544 3.478 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.659 4.542 -7.931 1.00 0.00 H new ATOM 1072 N SER A 70 9.984 4.244 -5.065 1.00 0.00 N ATOM 1073 CA SER A 70 10.931 4.388 -3.973 1.00 0.00 C ATOM 1074 C SER A 70 10.183 4.526 -2.646 1.00 0.00 C ATOM 1075 O SER A 70 9.715 5.610 -2.303 1.00 0.00 O ATOM 1076 CB SER A 70 11.847 5.593 -4.194 1.00 0.00 C ATOM 1077 OG SER A 70 11.954 6.403 -3.027 1.00 0.00 O ATOM 0 H SER A 70 9.578 5.119 -5.396 1.00 0.00 H new ATOM 0 HA SER A 70 11.553 3.494 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.838 5.246 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.463 6.194 -5.018 1.00 0.00 H new ATOM 0 HG SER A 70 11.066 6.730 -2.773 1.00 0.00 H new ATOM 1083 N VAL A 71 10.094 3.411 -1.935 1.00 0.00 N ATOM 1084 CA VAL A 71 9.411 3.394 -0.653 1.00 0.00 C ATOM 1085 C VAL A 71 10.405 3.011 0.445 1.00 0.00 C ATOM 1086 O VAL A 71 11.371 2.293 0.190 1.00 0.00 O ATOM 1087 CB VAL A 71 8.201 2.460 -0.717 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.743 2.059 0.687 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.056 3.098 -1.506 1.00 0.00 C ATOM 0 H VAL A 71 10.484 2.513 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 71 9.027 4.385 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 71 8.505 1.554 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.882 1.395 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.555 1.544 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.466 2.951 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.209 2.413 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.754 4.027 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.388 3.309 -2.523 1.00 0.00 H new ATOM 1099 N ASP A 72 10.135 3.506 1.644 1.00 0.00 N ATOM 1100 CA ASP A 72 10.994 3.224 2.781 1.00 0.00 C ATOM 1101 C ASP A 72 10.851 1.751 3.170 1.00 0.00 C ATOM 1102 O ASP A 72 9.737 1.244 3.296 1.00 0.00 O ATOM 1103 CB ASP A 72 10.601 4.073 3.992 1.00 0.00 C ATOM 1104 CG ASP A 72 11.625 5.135 4.397 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.228 5.723 3.473 1.00 0.00 O ATOM 1106 OD2 ASP A 72 11.781 5.336 5.621 1.00 0.00 O ATOM 0 H ASP A 72 9.333 4.101 1.853 1.00 0.00 H new ATOM 0 HA ASP A 72 12.020 3.457 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.653 4.567 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.431 3.411 4.841 1.00 0.00 H new ATOM 1111 N PRO A 73 12.024 1.089 3.354 1.00 0.00 N ATOM 1112 CA PRO A 73 12.040 -0.316 3.726 1.00 0.00 C ATOM 1113 C PRO A 73 11.667 -0.497 5.199 1.00 0.00 C ATOM 1114 O PRO A 73 11.248 -1.579 5.608 1.00 0.00 O ATOM 1115 CB PRO A 73 13.448 -0.791 3.407 1.00 0.00 C ATOM 1116 CG PRO A 73 14.299 0.465 3.307 1.00 0.00 C ATOM 1117 CD PRO A 73 13.362 1.657 3.213 1.00 0.00 C ATOM 0 HA PRO A 73 11.302 -0.904 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.822 -1.455 4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.469 -1.352 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.947 0.557 4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.946 0.419 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.568 2.385 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.474 2.175 2.260 1.00 0.00 H new ATOM 1125 N LYS A 74 11.833 0.578 5.955 1.00 0.00 N ATOM 1126 CA LYS A 74 11.519 0.551 7.373 1.00 0.00 C ATOM 1127 C LYS A 74 10.107 1.100 7.589 1.00 0.00 C ATOM 1128 O LYS A 74 9.672 1.273 8.727 1.00 0.00 O ATOM 1129 CB LYS A 74 12.595 1.287 8.175 1.00 0.00 C ATOM 1130 CG LYS A 74 13.720 0.335 8.586 1.00 0.00 C ATOM 1131 CD LYS A 74 15.085 1.014 8.461 1.00 0.00 C ATOM 1132 CE LYS A 74 15.197 2.200 9.421 1.00 0.00 C ATOM 1133 NZ LYS A 74 15.981 3.294 8.805 1.00 0.00 N ATOM 0 H LYS A 74 12.181 1.473 5.612 1.00 0.00 H new ATOM 0 HA LYS A 74 11.523 -0.474 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.004 2.103 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.149 1.734 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.566 0.006 9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.694 -0.556 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.875 0.293 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.233 1.355 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.202 2.560 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.673 1.881 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.047 4.091 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.937 2.952 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.511 3.609 7.933 1.00 0.00 H new ATOM 1147 N ALA A 75 9.432 1.359 6.480 1.00 0.00 N ATOM 1148 CA ALA A 75 8.078 1.886 6.533 1.00 0.00 C ATOM 1149 C ALA A 75 7.082 0.736 6.370 1.00 0.00 C ATOM 1150 O ALA A 75 7.263 -0.130 5.516 1.00 0.00 O ATOM 1151 CB ALA A 75 7.906 2.963 5.460 1.00 0.00 C ATOM 0 H ALA A 75 9.797 1.214 5.538 1.00 0.00 H new ATOM 0 HA ALA A 75 7.886 2.355 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.891 3.358 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.617 3.770 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.088 2.529 4.477 1.00 0.00 H new ATOM 1157 N THR A 76 6.052 0.765 7.203 1.00 0.00 N ATOM 1158 CA THR A 76 5.027 -0.264 7.162 1.00 0.00 C ATOM 1159 C THR A 76 3.678 0.343 6.771 1.00 0.00 C ATOM 1160 O THR A 76 2.687 -0.373 6.636 1.00 0.00 O ATOM 1161 CB THR A 76 5.006 -0.965 8.522 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.287 0.076 9.454 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.170 -1.943 8.694 1.00 0.00 C ATOM 0 H THR A 76 5.905 1.485 7.910 1.00 0.00 H new ATOM 0 HA THR A 76 5.246 -1.010 6.399 1.00 0.00 H new ATOM 0 HB THR A 76 4.063 -1.498 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.291 -0.291 10.363 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.108 -2.413 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.119 -2.709 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.114 -1.404 8.609 1.00 0.00 H new ATOM 1171 N SER A 77 3.683 1.657 6.599 1.00 0.00 N ATOM 1172 CA SER A 77 2.473 2.368 6.225 1.00 0.00 C ATOM 1173 C SER A 77 2.798 3.451 5.195 1.00 0.00 C ATOM 1174 O SER A 77 3.919 3.956 5.153 1.00 0.00 O ATOM 1175 CB SER A 77 1.797 2.987 7.451 1.00 0.00 C ATOM 1176 OG SER A 77 2.735 3.634 8.307 1.00 0.00 O ATOM 0 H SER A 77 4.507 2.248 6.712 1.00 0.00 H new ATOM 0 HA SER A 77 1.779 1.653 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.046 3.707 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.274 2.210 8.008 1.00 0.00 H new ATOM 0 HG SER A 77 2.265 4.018 9.077 1.00 0.00 H new ATOM 1182 N VAL A 78 1.799 3.775 4.388 1.00 0.00 N ATOM 1183 CA VAL A 78 1.965 4.789 3.360 1.00 0.00 C ATOM 1184 C VAL A 78 0.622 5.475 3.106 1.00 0.00 C ATOM 1185 O VAL A 78 -0.433 4.910 3.391 1.00 0.00 O ATOM 1186 CB VAL A 78 2.565 4.162 2.100 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.529 3.309 1.366 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.144 5.236 1.177 1.00 0.00 C ATOM 0 H VAL A 78 0.871 3.353 4.425 1.00 0.00 H new ATOM 0 HA VAL A 78 2.665 5.557 3.689 1.00 0.00 H new ATOM 0 HB VAL A 78 3.381 3.508 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.981 2.875 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.184 2.511 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.683 3.933 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.564 4.764 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.354 5.927 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.927 5.783 1.702 1.00 0.00 H new ATOM 1198 N THR A 79 0.704 6.685 2.571 1.00 0.00 N ATOM 1199 CA THR A 79 -0.492 7.455 2.274 1.00 0.00 C ATOM 1200 C THR A 79 -0.578 7.751 0.776 1.00 0.00 C ATOM 1201 O THR A 79 0.416 8.126 0.156 1.00 0.00 O ATOM 1202 CB THR A 79 -0.471 8.714 3.143 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.393 8.216 4.476 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.799 9.473 3.106 1.00 0.00 C ATOM 0 H THR A 79 1.580 7.151 2.336 1.00 0.00 H new ATOM 0 HA THR A 79 -1.394 6.892 2.513 1.00 0.00 H new ATOM 0 HB THR A 79 0.332 9.371 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.373 8.967 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.730 10.358 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.017 9.776 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.598 8.827 3.471 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.775 7.573 0.237 1.00 0.00 N ATOM 1213 CA VAL A 80 -2.003 7.817 -1.177 1.00 0.00 C ATOM 1214 C VAL A 80 -2.839 9.088 -1.342 1.00 0.00 C ATOM 1215 O VAL A 80 -4.052 9.069 -1.135 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.649 6.589 -1.822 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.871 6.810 -3.320 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.810 5.334 -1.571 1.00 0.00 C ATOM 0 H VAL A 80 -2.598 7.263 0.754 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.057 7.980 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.624 6.439 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.331 5.923 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.527 7.668 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.913 6.997 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.291 4.475 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.816 5.470 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.725 5.162 -0.498 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.158 10.162 -1.714 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.823 11.439 -1.910 1.00 0.00 C ATOM 1230 C LYS A 81 -3.122 11.630 -3.398 1.00 0.00 C ATOM 1231 O LYS A 81 -2.451 11.050 -4.250 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.997 12.572 -1.298 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.522 12.206 0.109 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.070 12.637 0.327 1.00 0.00 C ATOM 1235 CE LYS A 81 0.782 11.465 0.820 1.00 0.00 C ATOM 1236 NZ LYS A 81 2.209 11.693 0.503 1.00 0.00 N ATOM 0 H LYS A 81 -1.152 10.174 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.780 11.455 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.136 12.783 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.595 13.482 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.162 12.686 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.612 11.130 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.342 13.024 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.033 13.449 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.657 11.344 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.443 10.540 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.773 10.889 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.325 11.786 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.533 12.565 0.968 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.131 12.447 -3.666 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.527 12.722 -5.036 1.00 0.00 C ATOM 1252 C GLY A 82 -5.299 11.543 -5.631 1.00 0.00 C ATOM 1253 O GLY A 82 -4.765 10.797 -6.450 1.00 0.00 O ATOM 0 H GLY A 82 -4.686 12.927 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.146 13.619 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.643 12.924 -5.640 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.544 11.411 -5.195 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.394 10.335 -5.674 1.00 0.00 C ATOM 1259 C LEU A 83 -8.717 10.920 -6.175 1.00 0.00 C ATOM 1260 O LEU A 83 -9.029 12.078 -5.903 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.565 9.265 -4.594 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.323 8.429 -4.276 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.627 7.382 -3.203 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.747 7.798 -5.546 1.00 0.00 C ATOM 0 H LEU A 83 -6.984 12.032 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.928 9.829 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.895 9.752 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.364 8.590 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.559 9.093 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.728 6.802 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.955 7.880 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.415 6.717 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.865 7.209 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.496 7.151 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.469 8.584 -6.249 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.457 10.092 -6.897 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.739 10.513 -7.438 1.00 0.00 C ATOM 1278 C VAL A 84 -11.852 10.116 -6.466 1.00 0.00 C ATOM 1279 O VAL A 84 -11.846 9.010 -5.927 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.932 9.930 -8.839 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.363 10.153 -9.332 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.916 10.516 -9.821 1.00 0.00 C ATOM 0 H VAL A 84 -9.194 9.132 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.772 11.597 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.761 8.855 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.474 9.729 -10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.062 9.667 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.574 11.222 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.075 10.085 -10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.042 11.598 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.906 10.284 -9.482 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.806 11.065 -6.267 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.924 10.825 -5.370 1.00 0.00 C ATOM 1294 C PRO A 85 -14.946 9.882 -6.007 1.00 0.00 C ATOM 1295 O PRO A 85 -15.123 9.884 -7.224 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.492 12.204 -5.073 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.970 13.115 -6.171 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.846 12.386 -6.888 1.00 0.00 C ATOM 0 HA PRO A 85 -13.625 10.325 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.582 12.184 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.174 12.554 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.768 13.367 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.608 14.053 -5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.040 12.315 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.897 12.908 -6.770 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.592 9.099 -5.156 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.592 8.152 -5.620 1.00 0.00 C ATOM 1308 C ALA A 86 -15.945 7.177 -6.607 1.00 0.00 C ATOM 1309 O ALA A 86 -16.444 6.989 -7.715 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.767 8.913 -6.238 1.00 0.00 C ATOM 0 H ALA A 86 -15.442 9.101 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.983 7.567 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.517 8.203 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.209 9.570 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.413 9.508 -7.079 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.845 6.583 -6.167 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.126 5.633 -6.998 1.00 0.00 C ATOM 1318 C ARG A 87 -13.370 4.630 -6.123 1.00 0.00 C ATOM 1319 O ARG A 87 -12.875 4.983 -5.054 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.134 6.346 -7.918 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.835 6.887 -9.166 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.856 7.009 -10.336 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.513 7.685 -11.477 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.873 8.076 -12.587 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -11.557 7.861 -12.713 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -13.550 8.683 -13.572 1.00 0.00 N ATOM 0 H ARG A 87 -14.435 6.741 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.858 5.107 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.658 7.166 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.343 5.655 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.656 6.225 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.271 7.862 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.975 7.572 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.512 6.020 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.515 7.864 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.042 7.399 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.070 8.159 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.552 8.847 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.063 8.981 -14.417 1.00 0.00 H new ATOM 1340 N SER A 88 -13.304 3.400 -6.610 1.00 0.00 N ATOM 1341 CA SER A 88 -12.617 2.344 -5.887 1.00 0.00 C ATOM 1342 C SER A 88 -11.107 2.452 -6.112 1.00 0.00 C ATOM 1343 O SER A 88 -10.664 2.847 -7.189 1.00 0.00 O ATOM 1344 CB SER A 88 -13.120 0.964 -6.316 1.00 0.00 C ATOM 1345 OG SER A 88 -12.120 0.224 -7.010 1.00 0.00 O ATOM 0 H SER A 88 -13.715 3.111 -7.497 1.00 0.00 H new ATOM 0 HA SER A 88 -12.829 2.464 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.440 0.405 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.995 1.080 -6.956 1.00 0.00 H new ATOM 0 HG SER A 88 -12.479 -0.651 -7.266 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.360 2.094 -5.078 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.910 2.146 -5.150 1.00 0.00 C ATOM 1353 C TYR A 89 -8.280 1.001 -4.353 1.00 0.00 C ATOM 1354 O TYR A 89 -8.566 0.834 -3.168 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.503 3.477 -4.515 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.595 4.673 -5.464 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.873 4.677 -6.641 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.400 5.748 -5.145 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.960 5.803 -7.534 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.487 6.873 -6.039 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.762 6.846 -7.189 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.844 7.909 -8.034 1.00 0.00 O ATOM 0 H TYR A 89 -10.732 1.767 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.574 2.056 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.138 3.664 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.480 3.395 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.243 3.836 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.965 5.745 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.401 5.819 -8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.114 7.720 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.482 7.659 -8.910 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.435 0.243 -5.035 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.762 -0.881 -4.406 1.00 0.00 C ATOM 1374 C GLN A 90 -5.280 -0.563 -4.196 1.00 0.00 C ATOM 1375 O GLN A 90 -4.718 0.279 -4.893 1.00 0.00 O ATOM 1376 CB GLN A 90 -6.938 -2.157 -5.232 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.201 -2.912 -4.813 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.220 -4.321 -5.408 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.496 -4.641 -6.337 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.087 -5.143 -4.824 1.00 0.00 N ATOM 0 H GLN A 90 -7.201 0.385 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.218 -1.053 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.996 -1.904 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.067 -2.800 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.249 -2.972 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.083 -2.363 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.663 -4.811 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.176 -6.106 -5.149 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.691 -1.255 -3.232 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.285 -1.056 -2.921 1.00 0.00 C ATOM 1391 C PHE A 91 -2.613 -2.381 -2.554 1.00 0.00 C ATOM 1392 O PHE A 91 -3.164 -3.170 -1.789 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.222 -0.115 -1.716 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.672 1.315 -2.020 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -2.959 2.083 -2.887 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.784 1.819 -1.422 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.376 3.410 -3.168 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.202 3.147 -1.703 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.489 3.915 -2.571 1.00 0.00 C ATOM 0 H PHE A 91 -5.161 -1.954 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.767 -0.643 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.846 -0.520 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.199 -0.091 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.075 1.683 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.350 1.209 -0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.809 4.019 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.085 3.547 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.807 4.925 -2.786 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.431 -2.584 -3.118 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.677 -3.799 -2.861 1.00 0.00 C ATOM 1411 C ARG A 92 0.805 -3.580 -3.170 1.00 0.00 C ATOM 1412 O ARG A 92 1.172 -3.318 -4.314 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.201 -4.962 -3.706 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.258 -4.581 -5.187 1.00 0.00 C ATOM 1415 CD ARG A 92 -0.855 -5.762 -6.072 1.00 0.00 C ATOM 1416 NE ARG A 92 0.330 -5.404 -6.883 1.00 0.00 N ATOM 1417 CZ ARG A 92 1.159 -6.300 -7.438 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.937 -7.611 -7.272 1.00 0.00 N ATOM 1419 NH2 ARG A 92 2.209 -5.884 -8.158 1.00 0.00 N ATOM 0 H ARG A 92 -0.977 -1.927 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.799 -4.047 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.556 -5.831 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.195 -5.248 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.266 -4.256 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.594 -3.737 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.634 -6.632 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.683 -6.037 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 92 0.528 -4.414 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.137 -7.927 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.568 -8.293 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.378 -4.886 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.840 -6.565 -8.580 1.00 0.00 H new ATOM 1433 N LEU A 93 1.617 -3.695 -2.129 1.00 0.00 N ATOM 1434 CA LEU A 93 3.051 -3.513 -2.275 1.00 0.00 C ATOM 1435 C LEU A 93 3.765 -4.819 -1.923 1.00 0.00 C ATOM 1436 O LEU A 93 3.199 -5.679 -1.250 1.00 0.00 O ATOM 1437 CB LEU A 93 3.525 -2.312 -1.454 1.00 0.00 C ATOM 1438 CG LEU A 93 3.430 -2.460 0.066 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.240 -1.372 0.774 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.971 -2.479 0.525 1.00 0.00 C ATOM 0 H LEU A 93 1.309 -3.912 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 93 3.302 -3.281 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.563 -2.105 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.942 -1.441 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 93 3.867 -3.419 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.156 -1.500 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.287 -1.448 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.855 -0.391 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.932 -2.585 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.486 -1.547 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.454 -3.318 0.060 1.00 0.00 H new ATOM 1452 N CYS A 94 4.999 -4.928 -2.395 1.00 0.00 N ATOM 1453 CA CYS A 94 5.796 -6.115 -2.138 1.00 0.00 C ATOM 1454 C CYS A 94 7.127 -5.677 -1.524 1.00 0.00 C ATOM 1455 O CYS A 94 7.480 -4.499 -1.574 1.00 0.00 O ATOM 1456 CB CYS A 94 5.999 -6.945 -3.407 1.00 0.00 C ATOM 1457 SG CYS A 94 6.775 -5.919 -4.709 1.00 0.00 S ATOM 0 H CYS A 94 5.466 -4.214 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 94 5.270 -6.764 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.628 -7.808 -3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.041 -7.329 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 94 5.917 -5.706 -5.662 1.00 0.00 H new ATOM 1463 N ALA A 95 7.830 -6.647 -0.959 1.00 0.00 N ATOM 1464 CA ALA A 95 9.115 -6.376 -0.337 1.00 0.00 C ATOM 1465 C ALA A 95 10.227 -6.554 -1.372 1.00 0.00 C ATOM 1466 O ALA A 95 10.306 -7.590 -2.031 1.00 0.00 O ATOM 1467 CB ALA A 95 9.296 -7.289 0.878 1.00 0.00 C ATOM 0 H ALA A 95 7.534 -7.622 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 95 9.160 -5.347 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.260 -7.086 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.498 -7.101 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.259 -8.331 0.559 1.00 0.00 H new ATOM 1473 N VAL A 96 11.058 -5.529 -1.483 1.00 0.00 N ATOM 1474 CA VAL A 96 12.162 -5.559 -2.428 1.00 0.00 C ATOM 1475 C VAL A 96 13.464 -5.233 -1.694 1.00 0.00 C ATOM 1476 O VAL A 96 13.554 -4.220 -1.002 1.00 0.00 O ATOM 1477 CB VAL A 96 11.879 -4.611 -3.594 1.00 0.00 C ATOM 1478 CG1 VAL A 96 12.919 -4.780 -4.703 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.463 -4.814 -4.135 1.00 0.00 C ATOM 0 H VAL A 96 10.990 -4.672 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 96 12.271 -6.555 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 96 11.951 -3.590 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.694 -4.094 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.911 -4.561 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.894 -5.805 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.288 -4.127 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.351 -5.840 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.740 -4.619 -3.343 1.00 0.00 H new ATOM 1489 N ASN A 97 14.441 -6.111 -1.870 1.00 0.00 N ATOM 1490 CA ASN A 97 15.734 -5.929 -1.233 1.00 0.00 C ATOM 1491 C ASN A 97 16.843 -6.187 -2.256 1.00 0.00 C ATOM 1492 O ASN A 97 16.566 -6.413 -3.433 1.00 0.00 O ATOM 1493 CB ASN A 97 15.921 -6.911 -0.075 1.00 0.00 C ATOM 1494 CG ASN A 97 15.273 -8.260 -0.390 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.711 -8.475 -1.452 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.382 -9.155 0.588 1.00 0.00 N ATOM 0 H ASN A 97 14.363 -6.950 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 97 15.781 -4.909 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.984 -7.051 0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.483 -6.496 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.982 -10.086 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.865 -8.910 1.452 1.00 0.00 H new ATOM 1503 N ASP A 98 18.074 -6.147 -1.769 1.00 0.00 N ATOM 1504 CA ASP A 98 19.225 -6.374 -2.626 1.00 0.00 C ATOM 1505 C ASP A 98 19.006 -7.651 -3.439 1.00 0.00 C ATOM 1506 O ASP A 98 19.033 -7.621 -4.669 1.00 0.00 O ATOM 1507 CB ASP A 98 20.500 -6.553 -1.800 1.00 0.00 C ATOM 1508 CG ASP A 98 21.748 -6.917 -2.607 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.770 -6.569 -3.807 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.653 -7.536 -2.005 1.00 0.00 O ATOM 0 H ASP A 98 18.300 -5.961 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 98 19.336 -5.507 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.695 -5.629 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.327 -7.331 -1.056 1.00 0.00 H new ATOM 1515 N VAL A 99 18.794 -8.744 -2.720 1.00 0.00 N ATOM 1516 CA VAL A 99 18.570 -10.029 -3.359 1.00 0.00 C ATOM 1517 C VAL A 99 17.626 -9.844 -4.549 1.00 0.00 C ATOM 1518 O VAL A 99 17.921 -10.294 -5.656 1.00 0.00 O ATOM 1519 CB VAL A 99 18.050 -11.040 -2.335 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.837 -10.948 -1.026 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.552 -10.849 -2.088 1.00 0.00 C ATOM 0 H VAL A 99 18.773 -8.766 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 99 19.506 -10.431 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 99 18.197 -12.039 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.448 -11.677 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.889 -11.156 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.735 -9.946 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.208 -11.580 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.371 -9.843 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.009 -10.988 -3.023 1.00 0.00 H new ATOM 1531 N GLY A 100 16.510 -9.182 -4.282 1.00 0.00 N ATOM 1532 CA GLY A 100 15.521 -8.932 -5.316 1.00 0.00 C ATOM 1533 C GLY A 100 14.170 -8.558 -4.705 1.00 0.00 C ATOM 1534 O GLY A 100 14.115 -7.874 -3.684 1.00 0.00 O ATOM 0 H GLY A 100 16.269 -8.811 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.865 -8.128 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.409 -9.819 -5.939 1.00 0.00 H new ATOM 1538 N LYS A 101 13.113 -9.024 -5.354 1.00 0.00 N ATOM 1539 CA LYS A 101 11.765 -8.747 -4.887 1.00 0.00 C ATOM 1540 C LYS A 101 11.073 -10.064 -4.532 1.00 0.00 C ATOM 1541 O LYS A 101 11.299 -11.083 -5.181 1.00 0.00 O ATOM 1542 CB LYS A 101 11.003 -7.909 -5.916 1.00 0.00 C ATOM 1543 CG LYS A 101 9.520 -7.812 -5.553 1.00 0.00 C ATOM 1544 CD LYS A 101 8.676 -7.478 -6.785 1.00 0.00 C ATOM 1545 CE LYS A 101 8.979 -6.066 -7.290 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.426 -5.872 -8.649 1.00 0.00 N ATOM 0 H LYS A 101 13.163 -9.592 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 101 11.792 -8.146 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.435 -6.909 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.111 -8.354 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.185 -8.756 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.378 -7.046 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.877 -8.202 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.617 -7.561 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.552 -5.330 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.056 -5.901 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.884 -5.052 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.604 -6.722 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.401 -5.705 -8.586 1.00 0.00 H new ATOM 1560 N GLY A 102 10.242 -9.999 -3.502 1.00 0.00 N ATOM 1561 CA GLY A 102 9.514 -11.174 -3.052 1.00 0.00 C ATOM 1562 C GLY A 102 8.124 -11.234 -3.688 1.00 0.00 C ATOM 1563 O GLY A 102 7.998 -11.409 -4.899 1.00 0.00 O ATOM 0 H GLY A 102 10.056 -9.151 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.074 -12.073 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.421 -11.155 -1.966 1.00 0.00 H new ATOM 1567 N GLN A 103 7.115 -11.087 -2.843 1.00 0.00 N ATOM 1568 CA GLN A 103 5.738 -11.122 -3.307 1.00 0.00 C ATOM 1569 C GLN A 103 4.972 -9.902 -2.791 1.00 0.00 C ATOM 1570 O GLN A 103 5.467 -9.170 -1.935 1.00 0.00 O ATOM 1571 CB GLN A 103 5.050 -12.421 -2.882 1.00 0.00 C ATOM 1572 CG GLN A 103 4.880 -12.480 -1.363 1.00 0.00 C ATOM 1573 CD GLN A 103 5.617 -13.685 -0.775 1.00 0.00 C ATOM 1574 OE1 GLN A 103 6.831 -13.704 -0.655 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.819 -14.687 -0.418 1.00 0.00 N ATOM 0 H GLN A 103 7.223 -10.943 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 103 5.741 -11.090 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.075 -12.495 -3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.637 -13.275 -3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.261 -11.562 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.821 -12.540 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.810 -14.606 -0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.216 -15.537 -0.016 1.00 0.00 H new ATOM 1584 N PHE A 104 3.778 -9.720 -3.334 1.00 0.00 N ATOM 1585 CA PHE A 104 2.939 -8.601 -2.940 1.00 0.00 C ATOM 1586 C PHE A 104 1.894 -9.036 -1.910 1.00 0.00 C ATOM 1587 O PHE A 104 1.695 -10.229 -1.688 1.00 0.00 O ATOM 1588 CB PHE A 104 2.222 -8.113 -4.201 1.00 0.00 C ATOM 1589 CG PHE A 104 3.117 -7.326 -5.160 1.00 0.00 C ATOM 1590 CD1 PHE A 104 3.937 -7.986 -6.021 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.093 -5.966 -5.150 1.00 0.00 C ATOM 1592 CE1 PHE A 104 4.768 -7.255 -6.911 1.00 0.00 C ATOM 1593 CE2 PHE A 104 3.924 -5.235 -6.041 1.00 0.00 C ATOM 1594 CZ PHE A 104 4.744 -5.895 -6.902 1.00 0.00 C ATOM 0 H PHE A 104 3.371 -10.329 -4.044 1.00 0.00 H new ATOM 0 HA PHE A 104 3.550 -7.818 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.810 -8.973 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.380 -7.485 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.956 -9.066 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.443 -5.442 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.419 -7.779 -7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.904 -4.155 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.376 -5.339 -7.579 1.00 0.00 H new ATOM 1604 N SER A 105 1.254 -8.043 -1.308 1.00 0.00 N ATOM 1605 CA SER A 105 0.235 -8.308 -0.307 1.00 0.00 C ATOM 1606 C SER A 105 -1.145 -8.353 -0.965 1.00 0.00 C ATOM 1607 O SER A 105 -1.358 -7.744 -2.012 1.00 0.00 O ATOM 1608 CB SER A 105 0.262 -7.251 0.799 1.00 0.00 C ATOM 1609 OG SER A 105 0.371 -5.931 0.273 1.00 0.00 O ATOM 0 H SER A 105 1.422 -7.054 -1.495 1.00 0.00 H new ATOM 0 HA SER A 105 0.445 -9.276 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.646 -7.329 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.101 -7.446 1.466 1.00 0.00 H new ATOM 0 HG SER A 105 0.069 -5.285 0.945 1.00 0.00 H new ATOM 1615 N LYS A 106 -2.048 -9.079 -0.323 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.402 -9.211 -0.832 1.00 0.00 C ATOM 1617 C LYS A 106 -3.985 -7.820 -1.087 1.00 0.00 C ATOM 1618 O LYS A 106 -3.499 -6.830 -0.542 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.249 -10.069 0.111 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.119 -11.554 -0.234 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.761 -11.860 -1.589 1.00 0.00 C ATOM 1622 CE LYS A 106 -5.903 -12.867 -1.441 1.00 0.00 C ATOM 1623 NZ LYS A 106 -6.557 -13.105 -2.747 1.00 0.00 N ATOM 0 H LYS A 106 -1.868 -9.582 0.546 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.399 -9.736 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.934 -9.902 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.294 -9.766 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.066 -11.836 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.594 -12.154 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.139 -10.939 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.008 -12.256 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.518 -13.806 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.634 -12.494 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.330 -13.791 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.941 -12.210 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.860 -13.482 -3.421 1.00 0.00 H new ATOM 1637 N ASP A 107 -5.019 -7.788 -1.915 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.673 -6.535 -2.249 1.00 0.00 C ATOM 1639 C ASP A 107 -6.454 -6.033 -1.033 1.00 0.00 C ATOM 1640 O ASP A 107 -7.450 -6.637 -0.638 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.661 -6.718 -3.402 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.713 -7.808 -3.185 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -8.708 -7.506 -2.492 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -7.498 -8.918 -3.718 1.00 0.00 O ATOM 0 H ASP A 107 -5.420 -8.611 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.903 -5.822 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.172 -5.771 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.101 -6.950 -4.308 1.00 0.00 H new ATOM 1649 N THR A 108 -5.972 -4.932 -0.473 1.00 0.00 N ATOM 1650 CA THR A 108 -6.613 -4.342 0.690 1.00 0.00 C ATOM 1651 C THR A 108 -8.112 -4.163 0.439 1.00 0.00 C ATOM 1652 O THR A 108 -8.539 -4.000 -0.703 1.00 0.00 O ATOM 1653 CB THR A 108 -5.890 -3.034 1.015 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.954 -2.291 -0.200 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.392 -3.235 1.250 1.00 0.00 C ATOM 0 H THR A 108 -5.146 -4.434 -0.803 1.00 0.00 H new ATOM 0 HA THR A 108 -6.537 -4.996 1.559 1.00 0.00 H new ATOM 0 HB THR A 108 -6.338 -2.582 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.677 -1.632 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.927 -2.275 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.243 -3.917 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.936 -3.656 0.354 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.869 -4.198 1.526 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.311 -4.042 1.438 1.00 0.00 C ATOM 1665 C GLU A 109 -10.665 -2.936 0.442 1.00 0.00 C ATOM 1666 O GLU A 109 -10.255 -1.788 0.611 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.916 -3.755 2.814 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.767 -4.931 3.295 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.041 -4.832 4.797 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.046 -4.784 5.553 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.238 -4.807 5.156 1.00 0.00 O ATOM 0 H GLU A 109 -8.511 -4.332 2.472 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.737 -4.978 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.119 -3.560 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.528 -2.854 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.711 -4.948 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.255 -5.868 3.076 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.423 -3.319 -0.574 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.837 -2.375 -1.598 1.00 0.00 C ATOM 1680 C ARG A 110 -12.075 -0.995 -0.981 1.00 0.00 C ATOM 1681 O ARG A 110 -13.144 -0.730 -0.435 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.118 -2.842 -2.293 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.135 -2.407 -3.760 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.513 -1.875 -4.158 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.868 -2.354 -5.513 1.00 0.00 N ATOM 1686 CZ ARG A 110 -15.955 -1.957 -6.188 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -16.800 -1.073 -5.640 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -16.198 -2.445 -7.413 1.00 0.00 N ATOM 0 H ARG A 110 -11.762 -4.271 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.038 -2.315 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.195 -3.928 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.986 -2.431 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.382 -1.636 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.869 -3.251 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.262 -2.206 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.511 -0.785 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.247 -3.028 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -16.616 -0.702 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -17.627 -0.771 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.555 -3.118 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -17.025 -2.143 -7.927 1.00 0.00 H new ATOM 1702 N VAL A 111 -11.059 -0.151 -1.090 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.143 1.196 -0.550 1.00 0.00 C ATOM 1704 C VAL A 111 -11.722 2.131 -1.613 1.00 0.00 C ATOM 1705 O VAL A 111 -11.114 2.335 -2.663 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.771 1.643 -0.043 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.870 2.974 0.705 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.134 0.566 0.838 1.00 0.00 C ATOM 0 H VAL A 111 -10.173 -0.374 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.815 1.223 0.308 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.126 1.792 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.881 3.269 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.261 3.740 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.539 2.863 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.159 0.909 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.777 0.371 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.011 -0.351 0.261 1.00 0.00 H new ATOM 1718 N SER A 112 -12.890 2.676 -1.304 1.00 0.00 N ATOM 1719 CA SER A 112 -13.557 3.585 -2.220 1.00 0.00 C ATOM 1720 C SER A 112 -13.544 5.005 -1.650 1.00 0.00 C ATOM 1721 O SER A 112 -13.707 5.196 -0.446 1.00 0.00 O ATOM 1722 CB SER A 112 -14.994 3.136 -2.492 1.00 0.00 C ATOM 1723 OG SER A 112 -15.910 3.672 -1.542 1.00 0.00 O ATOM 0 H SER A 112 -13.391 2.505 -0.432 1.00 0.00 H new ATOM 0 HA SER A 112 -13.016 3.575 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.288 3.448 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.044 2.047 -2.469 1.00 0.00 H new ATOM 0 HG SER A 112 -16.816 3.363 -1.751 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.348 5.965 -2.542 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.311 7.361 -2.143 1.00 0.00 C ATOM 1731 C LEU A 113 -14.718 7.953 -2.243 1.00 0.00 C ATOM 1732 O LEU A 113 -15.499 7.566 -3.111 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.264 8.124 -2.958 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.251 8.939 -2.153 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.854 8.323 -2.246 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -11.259 10.407 -2.586 1.00 0.00 C ATOM 0 H LEU A 113 -13.213 5.803 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 113 -13.000 7.451 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.718 7.408 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.783 8.798 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.547 8.911 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.153 8.922 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.877 7.307 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.535 8.300 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.530 10.964 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.002 10.476 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.252 10.828 -2.426 1.00 0.00 H new ATOM 1748 N PRO A 114 -15.008 8.907 -1.317 1.00 0.00 N ATOM 1749 CA PRO A 114 -16.307 9.556 -1.292 1.00 0.00 C ATOM 1750 C PRO A 114 -16.435 10.571 -2.430 1.00 0.00 C ATOM 1751 O PRO A 114 -15.478 11.275 -2.748 1.00 0.00 O ATOM 1752 CB PRO A 114 -16.403 10.191 0.085 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.978 10.272 0.607 1.00 0.00 C ATOM 1754 CD PRO A 114 -14.108 9.391 -0.274 1.00 0.00 C ATOM 0 HA PRO A 114 -17.129 8.858 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.855 11.181 0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -17.028 9.593 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.622 11.302 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -14.932 9.939 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.276 9.953 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.678 8.565 0.293 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.625 10.615 -3.010 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.890 11.533 -4.105 1.00 0.00 C ATOM 1764 C GLU A 115 -17.449 12.949 -3.729 1.00 0.00 C ATOM 1765 O GLU A 115 -17.097 13.744 -4.599 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.369 11.506 -4.497 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.545 11.787 -5.991 1.00 0.00 C ATOM 1768 CD GLU A 115 -20.069 13.206 -6.224 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -21.301 13.381 -6.112 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -19.224 14.083 -6.507 1.00 0.00 O ATOM 0 H GLU A 115 -18.417 10.030 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.312 11.211 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.796 10.533 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.916 12.249 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.592 11.659 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.238 11.064 -6.421 1.00 0.00 H new