USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= -1.04 K(o=-1,f=-4.7!) USER MOD Single : A 16 MET CE :methyl 167:sc= 0 (180deg=-0.364) USER MOD Single : A 18 SER OG : rot 24:sc= 0.176! USER MOD Single : A 25 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -6.8! C(o=-6.8!,f=-8.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -165:sc=-0.00715 (180deg=-0.251) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.021) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.92) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.597 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.51 K(o=-3.5,f=-5.9!) USER MOD Single : A 78 HIS : no HE2:sc= -0.908 X(o=-0.91,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -0.269 K(o=-0.27,f=-0.92) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.371 -6.615 4.284 1.00 0.00 N ATOM 126 CA GLY A 11 -15.393 -7.959 3.736 1.00 0.00 C ATOM 127 C GLY A 11 -15.076 -9.015 4.777 1.00 0.00 C ATOM 128 O GLY A 11 -15.213 -8.773 5.976 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.376 -8.158 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.672 -8.028 2.922 1.00 0.00 H new ATOM 132 N GLU A 12 -14.654 -10.188 4.318 1.00 0.00 N ATOM 133 CA GLU A 12 -14.319 -11.285 5.219 1.00 0.00 C ATOM 134 C GLU A 12 -12.807 -11.433 5.358 1.00 0.00 C ATOM 135 O GLU A 12 -12.053 -11.109 4.439 1.00 0.00 O ATOM 136 CB GLU A 12 -14.927 -12.595 4.712 1.00 0.00 C ATOM 137 CG GLU A 12 -16.325 -12.862 5.242 1.00 0.00 C ATOM 138 CD GLU A 12 -16.742 -14.311 5.083 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.895 -15.200 5.311 1.00 0.00 O ATOM 140 OE2 GLU A 12 -17.915 -14.557 4.730 1.00 0.00 O ATOM 0 H GLU A 12 -14.536 -10.404 3.328 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.735 -11.055 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.958 -12.574 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.276 -13.422 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.368 -12.589 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.036 -12.223 4.718 1.00 0.00 H new ATOM 147 N LEU A 13 -12.370 -11.925 6.512 1.00 0.00 N ATOM 148 CA LEU A 13 -10.948 -12.116 6.773 1.00 0.00 C ATOM 149 C LEU A 13 -10.373 -13.213 5.882 1.00 0.00 C ATOM 150 O LEU A 13 -9.462 -12.969 5.092 1.00 0.00 O ATOM 151 CB LEU A 13 -10.722 -12.468 8.244 1.00 0.00 C ATOM 152 CG LEU A 13 -10.926 -11.331 9.246 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.937 -11.868 10.669 1.00 0.00 C ATOM 154 CD2 LEU A 13 -9.844 -10.274 9.081 1.00 0.00 C ATOM 0 H LEU A 13 -12.980 -12.199 7.282 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.434 -11.182 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.395 -13.284 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.705 -12.845 8.355 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.892 -10.867 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.083 -11.044 11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.749 -12.587 10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.987 -12.358 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.005 -9.473 9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.866 -10.725 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.884 -9.867 8.071 1.00 0.00 H new ATOM 166 N GLU A 14 -10.915 -14.420 6.014 1.00 0.00 N ATOM 167 CA GLU A 14 -10.457 -15.553 5.219 1.00 0.00 C ATOM 168 C GLU A 14 -10.619 -15.273 3.728 1.00 0.00 C ATOM 169 O GLU A 14 -9.937 -15.871 2.896 1.00 0.00 O ATOM 170 CB GLU A 14 -11.230 -16.817 5.599 1.00 0.00 C ATOM 171 CG GLU A 14 -10.800 -17.419 6.926 1.00 0.00 C ATOM 172 CD GLU A 14 -9.645 -18.390 6.779 1.00 0.00 C ATOM 173 OE1 GLU A 14 -9.742 -19.305 5.935 1.00 0.00 O ATOM 174 OE2 GLU A 14 -8.643 -18.235 7.509 1.00 0.00 O ATOM 0 H GLU A 14 -11.671 -14.638 6.663 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.398 -15.707 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.293 -16.582 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.101 -17.561 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.512 -16.619 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.647 -17.934 7.379 1.00 0.00 H new ATOM 181 N GLN A 15 -11.527 -14.360 3.399 1.00 0.00 N ATOM 182 CA GLN A 15 -11.780 -14.002 2.008 1.00 0.00 C ATOM 183 C GLN A 15 -10.653 -13.135 1.456 1.00 0.00 C ATOM 184 O GLN A 15 -10.355 -13.176 0.263 1.00 0.00 O ATOM 185 CB GLN A 15 -13.115 -13.264 1.884 1.00 0.00 C ATOM 186 CG GLN A 15 -14.324 -14.184 1.913 1.00 0.00 C ATOM 187 CD GLN A 15 -15.536 -13.577 1.236 1.00 0.00 C ATOM 188 OE1 GLN A 15 -16.249 -12.764 1.825 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.777 -13.969 -0.010 1.00 0.00 N ATOM 0 H GLN A 15 -12.099 -13.855 4.076 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.826 -14.922 1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.198 -12.542 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.122 -12.698 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.072 -15.124 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.571 -14.420 2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.160 -14.645 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.579 -13.594 -0.517 1.00 0.00 H new ATOM 198 N MET A 16 -10.032 -12.352 2.331 1.00 0.00 N ATOM 199 CA MET A 16 -8.937 -11.476 1.930 1.00 0.00 C ATOM 200 C MET A 16 -7.872 -12.254 1.163 1.00 0.00 C ATOM 201 O MET A 16 -7.743 -13.468 1.318 1.00 0.00 O ATOM 202 CB MET A 16 -8.313 -10.809 3.157 1.00 0.00 C ATOM 203 CG MET A 16 -9.316 -10.052 4.013 1.00 0.00 C ATOM 204 SD MET A 16 -8.528 -8.870 5.124 1.00 0.00 S ATOM 205 CE MET A 16 -9.962 -8.070 5.838 1.00 0.00 C ATOM 0 H MET A 16 -10.268 -12.306 3.322 1.00 0.00 H new ATOM 0 HA MET A 16 -9.343 -10.706 1.274 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.828 -11.571 3.768 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.534 -10.120 2.829 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.016 -9.525 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.898 -10.763 4.599 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.657 -7.482 6.704 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.419 -7.414 5.097 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.684 -8.826 6.148 1.00 0.00 H new ATOM 215 N VAL A 17 -7.111 -11.546 0.334 1.00 0.00 N ATOM 216 CA VAL A 17 -6.056 -12.170 -0.456 1.00 0.00 C ATOM 217 C VAL A 17 -4.770 -11.354 -0.399 1.00 0.00 C ATOM 218 O VAL A 17 -4.793 -10.130 -0.535 1.00 0.00 O ATOM 219 CB VAL A 17 -6.481 -12.336 -1.927 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.738 -13.187 -2.028 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.695 -10.977 -2.576 1.00 0.00 C ATOM 0 H VAL A 17 -7.205 -10.540 0.192 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.877 -13.154 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.681 -12.848 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.023 -13.293 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.546 -14.172 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.548 -12.707 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.995 -11.113 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.476 -10.437 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.768 -10.406 -2.538 1.00 0.00 H new ATOM 231 N SER A 18 -3.649 -12.039 -0.197 1.00 0.00 N ATOM 232 CA SER A 18 -2.352 -11.377 -0.119 1.00 0.00 C ATOM 233 C SER A 18 -1.719 -11.257 -1.502 1.00 0.00 C ATOM 234 O SER A 18 -1.569 -12.249 -2.215 1.00 0.00 O ATOM 235 CB SER A 18 -1.419 -12.146 0.817 1.00 0.00 C ATOM 236 OG SER A 18 -0.972 -13.349 0.216 1.00 0.00 O ATOM 0 H SER A 18 -3.613 -13.052 -0.084 1.00 0.00 H new ATOM 0 HA SER A 18 -2.507 -10.374 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.562 -11.523 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.938 -12.372 1.748 1.00 0.00 H new ATOM 0 HG SER A 18 -1.017 -13.264 -0.759 1.00 0.00 H new ATOM 242 N GLU A 19 -1.349 -10.035 -1.873 1.00 0.00 N ATOM 243 CA GLU A 19 -0.733 -9.785 -3.170 1.00 0.00 C ATOM 244 C GLU A 19 0.594 -9.049 -3.010 1.00 0.00 C ATOM 245 O GLU A 19 0.856 -8.438 -1.974 1.00 0.00 O ATOM 246 CB GLU A 19 -1.675 -8.971 -4.060 1.00 0.00 C ATOM 247 CG GLU A 19 -2.624 -9.826 -4.883 1.00 0.00 C ATOM 248 CD GLU A 19 -1.944 -10.467 -6.078 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.297 -9.734 -6.855 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.059 -11.700 -6.235 1.00 0.00 O ATOM 0 H GLU A 19 -1.465 -9.204 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.540 -10.748 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.258 -8.295 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.081 -8.352 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.047 -10.605 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.454 -9.210 -5.229 1.00 0.00 H new ATOM 257 N ASP A 20 1.428 -9.114 -4.042 1.00 0.00 N ATOM 258 CA ASP A 20 2.728 -8.454 -4.016 1.00 0.00 C ATOM 259 C ASP A 20 2.760 -7.278 -4.987 1.00 0.00 C ATOM 260 O ASP A 20 2.440 -7.425 -6.167 1.00 0.00 O ATOM 261 CB ASP A 20 3.836 -9.449 -4.365 1.00 0.00 C ATOM 262 CG ASP A 20 3.384 -10.490 -5.370 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.662 -11.427 -4.970 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.753 -10.369 -6.557 1.00 0.00 O ATOM 0 H ASP A 20 1.227 -9.617 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 20 2.895 -8.075 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.693 -8.908 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.172 -9.948 -3.456 1.00 0.00 H new ATOM 269 N VAL A 21 3.146 -6.110 -4.483 1.00 0.00 N ATOM 270 CA VAL A 21 3.220 -4.909 -5.305 1.00 0.00 C ATOM 271 C VAL A 21 4.645 -4.373 -5.369 1.00 0.00 C ATOM 272 O VAL A 21 5.268 -4.071 -4.351 1.00 0.00 O ATOM 273 CB VAL A 21 2.291 -3.804 -4.768 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.943 -2.816 -5.870 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.032 -4.411 -4.167 1.00 0.00 C ATOM 0 H VAL A 21 3.412 -5.971 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 21 2.896 -5.191 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 21 2.817 -3.263 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.286 -2.043 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.856 -2.357 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.437 -3.339 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.388 -3.616 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.501 -4.979 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.304 -5.074 -3.346 1.00 0.00 H new ATOM 285 N PRO A 22 5.177 -4.250 -6.595 1.00 0.00 N ATOM 286 CA PRO A 22 6.535 -3.749 -6.822 1.00 0.00 C ATOM 287 C PRO A 22 6.664 -2.262 -6.510 1.00 0.00 C ATOM 288 O PRO A 22 6.277 -1.412 -7.314 1.00 0.00 O ATOM 289 CB PRO A 22 6.763 -4.004 -8.314 1.00 0.00 C ATOM 290 CG PRO A 22 5.397 -4.018 -8.908 1.00 0.00 C ATOM 291 CD PRO A 22 4.492 -4.590 -7.853 1.00 0.00 C ATOM 0 HA PRO A 22 7.263 -4.239 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.381 -3.224 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.277 -4.951 -8.480 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.083 -3.012 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.372 -4.624 -9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.495 -4.152 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.373 -5.667 -7.967 1.00 0.00 H new ATOM 299 N LEU A 23 7.211 -1.953 -5.339 1.00 0.00 N ATOM 300 CA LEU A 23 7.392 -0.567 -4.921 1.00 0.00 C ATOM 301 C LEU A 23 8.871 -0.239 -4.746 1.00 0.00 C ATOM 302 O LEU A 23 9.580 -0.907 -3.992 1.00 0.00 O ATOM 303 CB LEU A 23 6.642 -0.306 -3.614 1.00 0.00 C ATOM 304 CG LEU A 23 6.623 1.144 -3.129 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.511 1.923 -3.816 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.459 1.199 -1.617 1.00 0.00 C ATOM 0 H LEU A 23 7.537 -2.643 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 23 6.986 0.077 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.612 -0.641 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.087 -0.923 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 23 7.576 1.606 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.513 2.953 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.672 1.913 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.550 1.462 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.448 2.239 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.522 0.720 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.290 0.678 -1.142 1.00 0.00 H new ATOM 318 N ASP A 24 9.330 0.792 -5.445 1.00 0.00 N ATOM 319 CA ASP A 24 10.725 1.211 -5.365 1.00 0.00 C ATOM 320 C ASP A 24 11.078 1.654 -3.949 1.00 0.00 C ATOM 321 O ASP A 24 10.379 2.472 -3.350 1.00 0.00 O ATOM 322 CB ASP A 24 10.996 2.348 -6.351 1.00 0.00 C ATOM 323 CG ASP A 24 12.478 2.581 -6.572 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.239 2.543 -5.583 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.876 2.801 -7.735 1.00 0.00 O ATOM 0 H ASP A 24 8.757 1.354 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 24 11.351 0.358 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.521 2.119 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.538 3.265 -5.979 1.00 0.00 H new ATOM 330 N HIS A 25 12.167 1.108 -3.417 1.00 0.00 N ATOM 331 CA HIS A 25 12.614 1.447 -2.071 1.00 0.00 C ATOM 332 C HIS A 25 12.886 2.944 -1.949 1.00 0.00 C ATOM 333 O HIS A 25 13.032 3.470 -0.846 1.00 0.00 O ATOM 334 CB HIS A 25 13.873 0.657 -1.714 1.00 0.00 C ATOM 335 CG HIS A 25 15.112 1.172 -2.380 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.545 0.727 -3.611 1.00 0.00 N ATOM 337 CD2 HIS A 25 16.011 2.102 -1.980 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.657 1.359 -3.939 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.962 2.199 -2.966 1.00 0.00 N ATOM 0 H HIS A 25 12.756 0.429 -3.898 1.00 0.00 H new ATOM 0 HA HIS A 25 11.819 1.182 -1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.014 0.683 -0.633 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.728 -0.387 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.985 2.663 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.221 1.214 -4.848 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.772 2.819 -2.950 1.00 0.00 H new ATOM 347 N ARG A 26 12.953 3.623 -3.089 1.00 0.00 N ATOM 348 CA ARG A 26 13.209 5.058 -3.110 1.00 0.00 C ATOM 349 C ARG A 26 11.946 5.841 -2.766 1.00 0.00 C ATOM 350 O ARG A 26 11.993 7.052 -2.548 1.00 0.00 O ATOM 351 CB ARG A 26 13.728 5.485 -4.485 1.00 0.00 C ATOM 352 CG ARG A 26 15.233 5.339 -4.640 1.00 0.00 C ATOM 353 CD ARG A 26 15.980 6.392 -3.838 1.00 0.00 C ATOM 354 NE ARG A 26 15.656 7.747 -4.276 1.00 0.00 N ATOM 355 CZ ARG A 26 16.357 8.820 -3.929 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.418 8.696 -3.143 1.00 0.00 N ATOM 357 NH2 ARG A 26 15.999 10.019 -4.368 1.00 0.00 N ATOM 0 H ARG A 26 12.834 3.202 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 26 13.967 5.277 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.233 4.889 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.452 6.525 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.539 4.346 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.501 5.424 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.734 6.284 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.053 6.227 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 26 14.846 7.876 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.697 7.775 -2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.955 9.521 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.184 10.118 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.539 10.842 -4.100 1.00 0.00 H new ATOM 371 N VAL A 27 10.817 5.141 -2.718 1.00 0.00 N ATOM 372 CA VAL A 27 9.540 5.770 -2.400 1.00 0.00 C ATOM 373 C VAL A 27 8.950 5.197 -1.116 1.00 0.00 C ATOM 374 O VAL A 27 8.016 5.759 -0.544 1.00 0.00 O ATOM 375 CB VAL A 27 8.525 5.590 -3.543 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.068 6.179 -4.837 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.178 4.120 -3.721 1.00 0.00 C ATOM 0 H VAL A 27 10.760 4.138 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 27 9.737 6.833 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 27 7.612 6.126 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.337 6.042 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.261 7.243 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.996 5.674 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.459 4.012 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.082 3.559 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.744 3.734 -2.799 1.00 0.00 H new ATOM 387 N HIS A 28 9.503 4.074 -0.667 1.00 0.00 N ATOM 388 CA HIS A 28 9.032 3.425 0.551 1.00 0.00 C ATOM 389 C HIS A 28 8.881 4.436 1.683 1.00 0.00 C ATOM 390 O HIS A 28 7.769 4.728 2.123 1.00 0.00 O ATOM 391 CB HIS A 28 9.997 2.315 0.968 1.00 0.00 C ATOM 392 CG HIS A 28 9.850 1.060 0.165 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.210 -0.184 0.640 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.378 0.860 -1.088 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.967 -1.094 -0.287 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.461 -0.486 -1.345 1.00 0.00 N ATOM 0 H HIS A 28 10.277 3.595 -1.128 1.00 0.00 H new ATOM 0 HA HIS A 28 8.055 2.989 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.020 2.680 0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.838 2.083 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.005 1.618 -1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.151 -2.154 -0.195 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.178 -0.943 -2.212 1.00 0.00 H new ATOM 404 N ALA A 29 10.006 4.967 2.150 1.00 0.00 N ATOM 405 CA ALA A 29 9.999 5.947 3.229 1.00 0.00 C ATOM 406 C ALA A 29 9.016 7.076 2.939 1.00 0.00 C ATOM 407 O ALA A 29 8.145 7.379 3.755 1.00 0.00 O ATOM 408 CB ALA A 29 11.398 6.505 3.445 1.00 0.00 C ATOM 0 H ALA A 29 10.935 4.735 1.798 1.00 0.00 H new ATOM 0 HA ALA A 29 9.676 5.444 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.377 7.236 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.077 5.693 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.743 6.986 2.530 1.00 0.00 H new ATOM 414 N ARG A 30 9.161 7.695 1.772 1.00 0.00 N ATOM 415 CA ARG A 30 8.287 8.792 1.376 1.00 0.00 C ATOM 416 C ARG A 30 6.821 8.426 1.593 1.00 0.00 C ATOM 417 O ARG A 30 5.992 9.288 1.885 1.00 0.00 O ATOM 418 CB ARG A 30 8.520 9.154 -0.092 1.00 0.00 C ATOM 419 CG ARG A 30 9.592 10.213 -0.295 1.00 0.00 C ATOM 420 CD ARG A 30 10.988 9.625 -0.160 1.00 0.00 C ATOM 421 NE ARG A 30 11.980 10.642 0.180 1.00 0.00 N ATOM 422 CZ ARG A 30 12.554 11.437 -0.716 1.00 0.00 C ATOM 423 NH1 ARG A 30 12.237 11.334 -1.999 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.448 12.338 -0.328 1.00 0.00 N ATOM 0 H ARG A 30 9.875 7.455 1.085 1.00 0.00 H new ATOM 0 HA ARG A 30 8.525 9.654 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.802 8.254 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.584 9.509 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.479 10.662 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.460 11.011 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.983 8.852 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.270 9.142 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 30 12.246 10.747 1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.550 10.643 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.680 11.946 -2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.694 12.420 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.889 12.948 -1.016 1.00 0.00 H new ATOM 438 N ILE A 31 6.510 7.142 1.448 1.00 0.00 N ATOM 439 CA ILE A 31 5.146 6.662 1.629 1.00 0.00 C ATOM 440 C ILE A 31 4.869 6.332 3.092 1.00 0.00 C ATOM 441 O ILE A 31 3.773 6.576 3.597 1.00 0.00 O ATOM 442 CB ILE A 31 4.870 5.413 0.772 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.962 5.759 -0.716 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.503 4.834 1.104 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.205 4.557 -1.601 1.00 0.00 C ATOM 0 H ILE A 31 7.184 6.416 1.206 1.00 0.00 H new ATOM 0 HA ILE A 31 4.484 7.466 1.308 1.00 0.00 H new ATOM 0 HB ILE A 31 5.625 4.661 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.038 6.247 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.767 6.478 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.323 3.952 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.472 4.556 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.734 5.579 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.259 4.876 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.144 4.081 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.387 3.846 -1.482 1.00 0.00 H new ATOM 457 N ILE A 32 5.870 5.778 3.768 1.00 0.00 N ATOM 458 CA ILE A 32 5.735 5.418 5.174 1.00 0.00 C ATOM 459 C ILE A 32 5.500 6.652 6.038 1.00 0.00 C ATOM 460 O ILE A 32 4.679 6.634 6.954 1.00 0.00 O ATOM 461 CB ILE A 32 6.983 4.676 5.687 1.00 0.00 C ATOM 462 CG1 ILE A 32 7.039 3.262 5.103 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.982 4.627 7.208 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.429 2.665 5.100 1.00 0.00 C ATOM 0 H ILE A 32 6.783 5.569 3.365 1.00 0.00 H new ATOM 0 HA ILE A 32 4.872 4.756 5.249 1.00 0.00 H new ATOM 0 HB ILE A 32 7.870 5.219 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.375 2.614 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.659 3.284 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.870 4.099 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.984 5.642 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.091 4.104 7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.394 1.663 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.092 3.291 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.804 2.611 6.122 1.00 0.00 H new ATOM 476 N GLY A 33 6.226 7.725 5.738 1.00 0.00 N ATOM 477 CA GLY A 33 6.081 8.954 6.495 1.00 0.00 C ATOM 478 C GLY A 33 7.022 9.019 7.681 1.00 0.00 C ATOM 479 O GLY A 33 8.155 8.543 7.610 1.00 0.00 O ATOM 0 H GLY A 33 6.912 7.765 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.268 9.805 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.053 9.042 6.846 1.00 0.00 H new ATOM 483 N ALA A 34 6.554 9.612 8.775 1.00 0.00 N ATOM 484 CA ALA A 34 7.362 9.737 9.981 1.00 0.00 C ATOM 485 C ALA A 34 7.057 8.613 10.965 1.00 0.00 C ATOM 486 O ALA A 34 7.913 7.775 11.250 1.00 0.00 O ATOM 487 CB ALA A 34 7.128 11.091 10.635 1.00 0.00 C ATOM 0 H ALA A 34 5.619 10.013 8.850 1.00 0.00 H new ATOM 0 HA ALA A 34 8.411 9.660 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.738 11.171 11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.403 11.884 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.075 11.190 10.900 1.00 0.00 H new ATOM 493 N ARG A 35 5.832 8.601 11.482 1.00 0.00 N ATOM 494 CA ARG A 35 5.416 7.580 12.436 1.00 0.00 C ATOM 495 C ARG A 35 4.490 6.564 11.775 1.00 0.00 C ATOM 496 O ARG A 35 3.801 5.803 12.453 1.00 0.00 O ATOM 497 CB ARG A 35 4.712 8.226 13.631 1.00 0.00 C ATOM 498 CG ARG A 35 4.809 7.409 14.909 1.00 0.00 C ATOM 499 CD ARG A 35 3.920 7.979 16.003 1.00 0.00 C ATOM 500 NE ARG A 35 4.125 7.304 17.282 1.00 0.00 N ATOM 501 CZ ARG A 35 3.547 6.152 17.606 1.00 0.00 C ATOM 502 NH1 ARG A 35 2.734 5.550 16.749 1.00 0.00 N ATOM 503 NH2 ARG A 35 3.784 5.600 18.789 1.00 0.00 N ATOM 0 H ARG A 35 5.111 9.286 11.256 1.00 0.00 H new ATOM 0 HA ARG A 35 6.308 7.060 12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.143 9.212 13.806 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.661 8.377 13.385 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.521 6.378 14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.843 7.390 15.252 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.124 9.044 16.118 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.875 7.885 15.707 1.00 0.00 H new ATOM 0 HE ARG A 35 4.746 7.741 17.964 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.551 5.971 15.838 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.292 4.666 17.001 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.410 6.060 19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.340 4.716 19.037 1.00 0.00 H new ATOM 517 N GLY A 36 4.479 6.557 10.445 1.00 0.00 N ATOM 518 CA GLY A 36 3.634 5.631 9.714 1.00 0.00 C ATOM 519 C GLY A 36 2.208 6.129 9.581 1.00 0.00 C ATOM 520 O GLY A 36 1.261 5.343 9.629 1.00 0.00 O ATOM 0 H GLY A 36 5.041 7.177 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.053 5.468 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.633 4.666 10.222 1.00 0.00 H new ATOM 524 N LYS A 37 2.053 7.438 9.415 1.00 0.00 N ATOM 525 CA LYS A 37 0.733 8.041 9.276 1.00 0.00 C ATOM 526 C LYS A 37 0.338 8.151 7.806 1.00 0.00 C ATOM 527 O LYS A 37 -0.743 7.716 7.410 1.00 0.00 O ATOM 528 CB LYS A 37 0.711 9.426 9.926 1.00 0.00 C ATOM 529 CG LYS A 37 0.479 9.389 11.427 1.00 0.00 C ATOM 530 CD LYS A 37 1.785 9.240 12.189 1.00 0.00 C ATOM 531 CE LYS A 37 2.555 10.551 12.236 1.00 0.00 C ATOM 532 NZ LYS A 37 2.149 11.391 13.397 1.00 0.00 N ATOM 0 H LYS A 37 2.826 8.102 9.373 1.00 0.00 H new ATOM 0 HA LYS A 37 0.012 7.398 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.658 9.928 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.072 10.025 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.024 10.303 11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.184 8.560 11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.579 8.901 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.398 8.473 11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.623 10.343 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.388 11.104 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.696 12.275 13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.135 11.611 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.332 10.874 14.281 1.00 0.00 H new ATOM 546 N ALA A 38 1.222 8.735 7.003 1.00 0.00 N ATOM 547 CA ALA A 38 0.966 8.899 5.577 1.00 0.00 C ATOM 548 C ALA A 38 0.577 7.572 4.933 1.00 0.00 C ATOM 549 O ALA A 38 -0.185 7.541 3.967 1.00 0.00 O ATOM 550 CB ALA A 38 2.188 9.485 4.886 1.00 0.00 C ATOM 0 H ALA A 38 2.121 9.102 7.315 1.00 0.00 H new ATOM 0 HA ALA A 38 0.130 9.589 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.983 9.602 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.420 10.458 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.038 8.816 5.020 1.00 0.00 H new ATOM 556 N ILE A 39 1.107 6.480 5.474 1.00 0.00 N ATOM 557 CA ILE A 39 0.814 5.151 4.951 1.00 0.00 C ATOM 558 C ILE A 39 -0.468 4.591 5.559 1.00 0.00 C ATOM 559 O ILE A 39 -1.172 3.802 4.929 1.00 0.00 O ATOM 560 CB ILE A 39 1.970 4.171 5.226 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.672 2.808 4.597 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.200 4.030 6.723 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.309 2.886 3.130 1.00 0.00 C ATOM 0 H ILE A 39 1.741 6.489 6.273 1.00 0.00 H new ATOM 0 HA ILE A 39 0.686 5.257 3.874 1.00 0.00 H new ATOM 0 HB ILE A 39 2.879 4.568 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.544 2.165 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.853 2.337 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.020 3.334 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.451 5.003 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.294 3.652 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.111 1.884 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.419 3.503 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.136 3.328 2.574 1.00 0.00 H new ATOM 575 N ARG A 40 -0.765 5.007 6.786 1.00 0.00 N ATOM 576 CA ARG A 40 -1.963 4.547 7.479 1.00 0.00 C ATOM 577 C ARG A 40 -3.221 4.966 6.725 1.00 0.00 C ATOM 578 O ARG A 40 -4.054 4.131 6.371 1.00 0.00 O ATOM 579 CB ARG A 40 -1.999 5.105 8.903 1.00 0.00 C ATOM 580 CG ARG A 40 -2.733 4.210 9.888 1.00 0.00 C ATOM 581 CD ARG A 40 -4.240 4.294 9.701 1.00 0.00 C ATOM 582 NE ARG A 40 -4.815 5.441 10.399 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.813 5.573 11.721 1.00 0.00 C ATOM 584 NH1 ARG A 40 -4.269 4.635 12.484 1.00 0.00 N ATOM 585 NH2 ARG A 40 -5.356 6.646 12.282 1.00 0.00 N ATOM 0 H ARG A 40 -0.193 5.661 7.320 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.932 3.458 7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.977 5.254 9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.477 6.084 8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.406 3.178 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.475 4.500 10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.470 4.364 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.702 3.378 10.067 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.241 6.181 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.850 3.809 12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.269 4.739 13.499 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.775 7.370 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.354 6.747 13.297 1.00 0.00 H new ATOM 599 N LYS A 41 -3.354 6.266 6.482 1.00 0.00 N ATOM 600 CA LYS A 41 -4.510 6.798 5.770 1.00 0.00 C ATOM 601 C LYS A 41 -4.817 5.963 4.531 1.00 0.00 C ATOM 602 O LYS A 41 -5.980 5.753 4.185 1.00 0.00 O ATOM 603 CB LYS A 41 -4.263 8.254 5.369 1.00 0.00 C ATOM 604 CG LYS A 41 -3.357 8.406 4.160 1.00 0.00 C ATOM 605 CD LYS A 41 -3.312 9.846 3.675 1.00 0.00 C ATOM 606 CE LYS A 41 -2.636 9.955 2.317 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.532 11.369 1.861 1.00 0.00 N ATOM 0 H LYS A 41 -2.675 6.971 6.768 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.369 6.753 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.220 8.731 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.821 8.785 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.350 8.075 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.711 7.761 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.326 10.241 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.776 10.459 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.639 9.517 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.199 9.377 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.066 11.401 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.484 11.780 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.973 11.915 2.548 1.00 0.00 H new ATOM 621 N ILE A 42 -3.767 5.490 3.868 1.00 0.00 N ATOM 622 CA ILE A 42 -3.925 4.676 2.669 1.00 0.00 C ATOM 623 C ILE A 42 -4.507 3.308 3.006 1.00 0.00 C ATOM 624 O ILE A 42 -5.288 2.748 2.237 1.00 0.00 O ATOM 625 CB ILE A 42 -2.584 4.485 1.937 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.965 5.842 1.597 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.781 3.656 0.677 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.601 5.740 0.950 1.00 0.00 C ATOM 0 H ILE A 42 -2.798 5.656 4.141 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.614 5.210 2.014 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.901 3.950 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.636 6.381 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.882 6.433 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.824 3.530 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.182 2.678 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.479 4.165 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.224 6.740 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.085 5.230 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.681 5.177 0.020 1.00 0.00 H new ATOM 640 N MET A 43 -4.123 2.775 4.161 1.00 0.00 N ATOM 641 CA MET A 43 -4.609 1.473 4.602 1.00 0.00 C ATOM 642 C MET A 43 -6.102 1.526 4.910 1.00 0.00 C ATOM 643 O MET A 43 -6.884 0.737 4.378 1.00 0.00 O ATOM 644 CB MET A 43 -3.838 1.008 5.838 1.00 0.00 C ATOM 645 CG MET A 43 -2.573 0.232 5.510 1.00 0.00 C ATOM 646 SD MET A 43 -1.932 -0.684 6.925 1.00 0.00 S ATOM 647 CE MET A 43 -0.773 0.503 7.599 1.00 0.00 C ATOM 0 H MET A 43 -3.476 3.225 4.809 1.00 0.00 H new ATOM 0 HA MET A 43 -4.448 0.760 3.793 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.575 1.878 6.440 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.490 0.383 6.448 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.779 -0.463 4.696 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.809 0.924 5.154 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.109 0.003 8.304 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.184 0.936 6.790 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.320 1.294 8.113 1.00 0.00 H new ATOM 657 N ASP A 44 -6.491 2.460 5.770 1.00 0.00 N ATOM 658 CA ASP A 44 -7.891 2.617 6.148 1.00 0.00 C ATOM 659 C ASP A 44 -8.732 3.051 4.951 1.00 0.00 C ATOM 660 O ASP A 44 -9.935 2.800 4.903 1.00 0.00 O ATOM 661 CB ASP A 44 -8.025 3.637 7.279 1.00 0.00 C ATOM 662 CG ASP A 44 -7.875 3.006 8.649 1.00 0.00 C ATOM 663 OD1 ASP A 44 -6.940 2.200 8.831 1.00 0.00 O ATOM 664 OD2 ASP A 44 -8.694 3.318 9.540 1.00 0.00 O ATOM 0 H ASP A 44 -5.857 3.120 6.219 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.258 1.651 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.270 4.413 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.998 4.124 7.211 1.00 0.00 H new ATOM 669 N GLU A 45 -8.089 3.706 3.989 1.00 0.00 N ATOM 670 CA GLU A 45 -8.779 4.177 2.794 1.00 0.00 C ATOM 671 C GLU A 45 -9.516 3.032 2.105 1.00 0.00 C ATOM 672 O GLU A 45 -10.697 3.148 1.777 1.00 0.00 O ATOM 673 CB GLU A 45 -7.784 4.816 1.823 1.00 0.00 C ATOM 674 CG GLU A 45 -8.429 5.346 0.553 1.00 0.00 C ATOM 675 CD GLU A 45 -7.538 6.323 -0.189 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.300 6.201 -0.076 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.078 7.210 -0.883 1.00 0.00 O ATOM 0 H GLU A 45 -7.092 3.922 4.014 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.510 4.926 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.270 5.634 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.026 4.080 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.671 4.510 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.369 5.836 0.805 1.00 0.00 H new ATOM 684 N PHE A 46 -8.810 1.928 1.887 1.00 0.00 N ATOM 685 CA PHE A 46 -9.395 0.762 1.235 1.00 0.00 C ATOM 686 C PHE A 46 -9.474 -0.418 2.199 1.00 0.00 C ATOM 687 O PHE A 46 -9.821 -1.532 1.808 1.00 0.00 O ATOM 688 CB PHE A 46 -8.576 0.375 0.003 1.00 0.00 C ATOM 689 CG PHE A 46 -8.214 1.544 -0.868 1.00 0.00 C ATOM 690 CD1 PHE A 46 -7.200 2.412 -0.500 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.890 1.775 -2.056 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.865 3.489 -1.299 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.559 2.849 -2.860 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.546 3.708 -2.480 1.00 0.00 C ATOM 0 H PHE A 46 -7.832 1.816 2.152 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.407 1.021 0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.662 -0.124 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.141 -0.346 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.664 2.245 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.684 1.108 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.072 4.158 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.092 3.017 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.287 4.549 -3.106 1.00 0.00 H new ATOM 704 N LYS A 47 -9.147 -0.165 3.462 1.00 0.00 N ATOM 705 CA LYS A 47 -9.180 -1.205 4.484 1.00 0.00 C ATOM 706 C LYS A 47 -8.200 -2.325 4.153 1.00 0.00 C ATOM 707 O LYS A 47 -8.522 -3.506 4.288 1.00 0.00 O ATOM 708 CB LYS A 47 -10.595 -1.773 4.617 1.00 0.00 C ATOM 709 CG LYS A 47 -11.608 -0.767 5.136 1.00 0.00 C ATOM 710 CD LYS A 47 -11.897 0.314 4.108 1.00 0.00 C ATOM 711 CE LYS A 47 -13.303 0.873 4.266 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.333 -0.060 3.730 1.00 0.00 N ATOM 0 H LYS A 47 -8.856 0.751 3.802 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.884 -0.757 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.924 -2.138 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.571 -2.631 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.534 -1.281 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.232 -0.309 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.170 1.120 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.778 -0.095 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.501 1.066 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.374 1.829 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.258 0.415 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.074 -0.345 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.387 -0.903 4.336 1.00 0.00 H new ATOM 726 N VAL A 48 -7.001 -1.948 3.719 1.00 0.00 N ATOM 727 CA VAL A 48 -5.973 -2.921 3.371 1.00 0.00 C ATOM 728 C VAL A 48 -4.778 -2.818 4.312 1.00 0.00 C ATOM 729 O VAL A 48 -4.556 -1.783 4.940 1.00 0.00 O ATOM 730 CB VAL A 48 -5.489 -2.732 1.921 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.620 -3.003 0.941 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.928 -1.332 1.726 1.00 0.00 C ATOM 0 H VAL A 48 -6.718 -0.975 3.600 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.425 -3.908 3.469 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.692 -3.449 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.259 -2.865 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.972 -4.027 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.441 -2.312 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.591 -1.215 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.703 -0.596 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.087 -1.179 2.403 1.00 0.00 H new ATOM 742 N ASP A 49 -4.010 -3.898 4.404 1.00 0.00 N ATOM 743 CA ASP A 49 -2.835 -3.930 5.267 1.00 0.00 C ATOM 744 C ASP A 49 -1.555 -3.986 4.440 1.00 0.00 C ATOM 745 O ASP A 49 -1.278 -4.984 3.775 1.00 0.00 O ATOM 746 CB ASP A 49 -2.901 -5.132 6.211 1.00 0.00 C ATOM 747 CG ASP A 49 -3.805 -4.883 7.402 1.00 0.00 C ATOM 748 OD1 ASP A 49 -4.782 -4.119 7.257 1.00 0.00 O ATOM 749 OD2 ASP A 49 -3.537 -5.454 8.480 1.00 0.00 O ATOM 0 H ASP A 49 -4.180 -4.763 3.891 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.824 -3.014 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.260 -6.002 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.897 -5.369 6.564 1.00 0.00 H new ATOM 754 N ILE A 50 -0.778 -2.909 4.487 1.00 0.00 N ATOM 755 CA ILE A 50 0.473 -2.837 3.742 1.00 0.00 C ATOM 756 C ILE A 50 1.656 -3.246 4.613 1.00 0.00 C ATOM 757 O ILE A 50 1.816 -2.754 5.730 1.00 0.00 O ATOM 758 CB ILE A 50 0.720 -1.419 3.193 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.513 -0.920 2.436 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.944 -1.407 2.290 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.644 0.587 2.423 1.00 0.00 C ATOM 0 H ILE A 50 -0.993 -2.075 5.033 1.00 0.00 H new ATOM 0 HA ILE A 50 0.383 -3.531 2.906 1.00 0.00 H new ATOM 0 HB ILE A 50 0.905 -0.747 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.470 -1.282 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.406 -1.351 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.106 -0.398 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.818 -1.725 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.786 -2.089 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.539 0.870 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.719 0.955 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.232 1.024 1.944 1.00 0.00 H new ATOM 773 N ARG A 51 2.482 -4.148 4.093 1.00 0.00 N ATOM 774 CA ARG A 51 3.651 -4.623 4.823 1.00 0.00 C ATOM 775 C ARG A 51 4.923 -4.419 4.005 1.00 0.00 C ATOM 776 O ARG A 51 5.119 -5.062 2.973 1.00 0.00 O ATOM 777 CB ARG A 51 3.491 -6.102 5.178 1.00 0.00 C ATOM 778 CG ARG A 51 4.404 -6.561 6.303 1.00 0.00 C ATOM 779 CD ARG A 51 3.837 -6.194 7.665 1.00 0.00 C ATOM 780 NE ARG A 51 4.672 -6.688 8.757 1.00 0.00 N ATOM 781 CZ ARG A 51 4.649 -7.944 9.190 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.838 -8.828 8.626 1.00 0.00 N ATOM 783 NH2 ARG A 51 5.439 -8.317 10.189 1.00 0.00 N ATOM 0 H ARG A 51 2.363 -4.564 3.169 1.00 0.00 H new ATOM 0 HA ARG A 51 3.734 -4.043 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.456 -6.288 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.691 -6.703 4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.542 -7.641 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.388 -6.107 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.746 -5.110 7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.832 -6.605 7.762 1.00 0.00 H new ATOM 0 HE ARG A 51 5.308 -6.033 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.230 -8.545 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.822 -9.792 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.064 -7.639 10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.421 -9.281 10.521 1.00 0.00 H new ATOM 797 N PHE A 52 5.783 -3.521 4.472 1.00 0.00 N ATOM 798 CA PHE A 52 7.036 -3.231 3.783 1.00 0.00 C ATOM 799 C PHE A 52 8.083 -4.298 4.087 1.00 0.00 C ATOM 800 O PHE A 52 8.055 -4.953 5.130 1.00 0.00 O ATOM 801 CB PHE A 52 7.561 -1.854 4.191 1.00 0.00 C ATOM 802 CG PHE A 52 6.747 -0.716 3.644 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.856 -0.346 2.313 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.874 -0.015 4.461 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.109 0.700 1.807 1.00 0.00 C ATOM 806 CE2 PHE A 52 5.124 1.032 3.960 1.00 0.00 C ATOM 807 CZ PHE A 52 5.243 1.391 2.631 1.00 0.00 C ATOM 0 H PHE A 52 5.636 -2.981 5.325 1.00 0.00 H new ATOM 0 HA PHE A 52 6.841 -3.234 2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.578 -1.788 5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.591 -1.751 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.533 -0.882 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.779 -0.290 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.202 0.977 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.446 1.569 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.660 2.210 2.238 1.00 0.00 H new ATOM 817 N PRO A 53 9.031 -4.479 3.155 1.00 0.00 N ATOM 818 CA PRO A 53 10.105 -5.465 3.300 1.00 0.00 C ATOM 819 C PRO A 53 11.107 -5.077 4.382 1.00 0.00 C ATOM 820 O PRO A 53 11.712 -4.007 4.325 1.00 0.00 O ATOM 821 CB PRO A 53 10.777 -5.463 1.924 1.00 0.00 C ATOM 822 CG PRO A 53 10.482 -4.116 1.361 1.00 0.00 C ATOM 823 CD PRO A 53 9.126 -3.735 1.888 1.00 0.00 C ATOM 0 HA PRO A 53 9.724 -6.440 3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.851 -5.631 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.379 -6.254 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.237 -3.392 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.485 -4.139 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.044 -2.660 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.332 -4.017 1.196 1.00 0.00 H new ATOM 831 N GLN A 54 11.276 -5.953 5.367 1.00 0.00 N ATOM 832 CA GLN A 54 12.204 -5.700 6.463 1.00 0.00 C ATOM 833 C GLN A 54 13.650 -5.790 5.984 1.00 0.00 C ATOM 834 O GLN A 54 13.912 -6.149 4.836 1.00 0.00 O ATOM 835 CB GLN A 54 11.968 -6.696 7.600 1.00 0.00 C ATOM 836 CG GLN A 54 11.981 -8.147 7.149 1.00 0.00 C ATOM 837 CD GLN A 54 11.841 -9.118 8.305 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.776 -9.227 8.914 1.00 0.00 O ATOM 839 NE2 GLN A 54 12.918 -9.831 8.614 1.00 0.00 N ATOM 0 H GLN A 54 10.783 -6.844 5.429 1.00 0.00 H new ATOM 0 HA GLN A 54 12.025 -4.690 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.735 -6.554 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.009 -6.479 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.168 -8.311 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.911 -8.351 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.780 -9.709 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.883 -10.501 9.382 1.00 0.00 H new ATOM 848 N SER A 55 14.583 -5.463 6.871 1.00 0.00 N ATOM 849 CA SER A 55 16.002 -5.503 6.537 1.00 0.00 C ATOM 850 C SER A 55 16.431 -6.917 6.156 1.00 0.00 C ATOM 851 O SER A 55 17.494 -7.119 5.570 1.00 0.00 O ATOM 852 CB SER A 55 16.840 -5.005 7.717 1.00 0.00 C ATOM 853 OG SER A 55 16.700 -5.860 8.839 1.00 0.00 O ATOM 0 H SER A 55 14.383 -5.167 7.826 1.00 0.00 H new ATOM 0 HA SER A 55 16.167 -4.848 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.889 -4.951 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.532 -3.994 7.985 1.00 0.00 H new ATOM 0 HG SER A 55 17.246 -5.521 9.579 1.00 0.00 H new ATOM 859 N GLY A 56 15.594 -7.893 6.492 1.00 0.00 N ATOM 860 CA GLY A 56 15.902 -9.276 6.178 1.00 0.00 C ATOM 861 C GLY A 56 15.010 -9.836 5.088 1.00 0.00 C ATOM 862 O GLY A 56 15.123 -11.006 4.724 1.00 0.00 O ATOM 0 H GLY A 56 14.708 -7.751 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.943 -9.351 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.795 -9.882 7.078 1.00 0.00 H new ATOM 866 N ALA A 57 14.119 -8.998 4.567 1.00 0.00 N ATOM 867 CA ALA A 57 13.204 -9.416 3.512 1.00 0.00 C ATOM 868 C ALA A 57 13.956 -9.712 2.218 1.00 0.00 C ATOM 869 O ALA A 57 14.979 -9.101 1.913 1.00 0.00 O ATOM 870 CB ALA A 57 12.146 -8.348 3.277 1.00 0.00 C ATOM 0 H ALA A 57 14.012 -8.026 4.858 1.00 0.00 H new ATOM 0 HA ALA A 57 12.713 -10.334 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.470 -8.674 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.581 -8.188 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.629 -7.417 2.981 1.00 0.00 H new ATOM 876 N PRO A 58 13.438 -10.674 1.439 1.00 0.00 N ATOM 877 CA PRO A 58 14.045 -11.073 0.166 1.00 0.00 C ATOM 878 C PRO A 58 13.908 -9.996 -0.904 1.00 0.00 C ATOM 879 O PRO A 58 14.854 -9.716 -1.641 1.00 0.00 O ATOM 880 CB PRO A 58 13.253 -12.322 -0.228 1.00 0.00 C ATOM 881 CG PRO A 58 11.937 -12.167 0.453 1.00 0.00 C ATOM 882 CD PRO A 58 12.220 -11.445 1.741 1.00 0.00 C ATOM 0 HA PRO A 58 15.117 -11.244 0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.134 -12.390 -1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.761 -13.231 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.241 -11.601 -0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.479 -13.138 0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.393 -10.795 2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.379 -12.140 2.565 1.00 0.00 H new ATOM 890 N ASP A 59 12.727 -9.394 -0.984 1.00 0.00 N ATOM 891 CA ASP A 59 12.467 -8.346 -1.964 1.00 0.00 C ATOM 892 C ASP A 59 12.300 -6.993 -1.281 1.00 0.00 C ATOM 893 O ASP A 59 11.199 -6.596 -0.896 1.00 0.00 O ATOM 894 CB ASP A 59 11.216 -8.678 -2.779 1.00 0.00 C ATOM 895 CG ASP A 59 11.520 -9.556 -3.977 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.673 -9.524 -4.456 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.607 -10.273 -4.435 1.00 0.00 O ATOM 0 H ASP A 59 11.934 -9.614 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 59 13.324 -8.291 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.492 -9.181 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.752 -7.752 -3.119 1.00 0.00 H new ATOM 902 N PRO A 60 13.416 -6.266 -1.124 1.00 0.00 N ATOM 903 CA PRO A 60 13.419 -4.947 -0.485 1.00 0.00 C ATOM 904 C PRO A 60 12.733 -3.887 -1.341 1.00 0.00 C ATOM 905 O PRO A 60 12.691 -2.713 -0.976 1.00 0.00 O ATOM 906 CB PRO A 60 14.909 -4.629 -0.334 1.00 0.00 C ATOM 907 CG PRO A 60 15.576 -5.422 -1.404 1.00 0.00 C ATOM 908 CD PRO A 60 14.762 -6.677 -1.558 1.00 0.00 C ATOM 0 HA PRO A 60 12.872 -4.950 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.100 -3.563 -0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.276 -4.909 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.612 -4.863 -2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.605 -5.655 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.761 -7.031 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.153 -7.487 -0.943 1.00 0.00 H new ATOM 916 N ASN A 61 12.197 -4.310 -2.481 1.00 0.00 N ATOM 917 CA ASN A 61 11.512 -3.397 -3.389 1.00 0.00 C ATOM 918 C ASN A 61 10.075 -3.848 -3.634 1.00 0.00 C ATOM 919 O ASN A 61 9.401 -3.347 -4.534 1.00 0.00 O ATOM 920 CB ASN A 61 12.264 -3.308 -4.719 1.00 0.00 C ATOM 921 CG ASN A 61 13.758 -3.506 -4.552 1.00 0.00 C ATOM 922 OD1 ASN A 61 14.403 -4.163 -5.369 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.316 -2.936 -3.490 1.00 0.00 N ATOM 0 H ASN A 61 12.224 -5.279 -2.798 1.00 0.00 H new ATOM 0 HA ASN A 61 11.490 -2.411 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.875 -4.061 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.078 -2.335 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.318 -3.034 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.743 -2.400 -2.839 1.00 0.00 H new ATOM 930 N CYS A 62 9.614 -4.797 -2.826 1.00 0.00 N ATOM 931 CA CYS A 62 8.257 -5.316 -2.955 1.00 0.00 C ATOM 932 C CYS A 62 7.510 -5.221 -1.628 1.00 0.00 C ATOM 933 O CYS A 62 8.101 -5.373 -0.559 1.00 0.00 O ATOM 934 CB CYS A 62 8.288 -6.768 -3.433 1.00 0.00 C ATOM 935 SG CYS A 62 6.830 -7.265 -4.381 1.00 0.00 S ATOM 0 H CYS A 62 10.159 -5.222 -2.076 1.00 0.00 H new ATOM 0 HA CYS A 62 7.731 -4.709 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.176 -6.918 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.385 -7.422 -2.567 1.00 0.00 H new ATOM 0 HG CYS A 62 6.950 -8.508 -4.743 1.00 0.00 H new ATOM 941 N VAL A 63 6.208 -4.966 -1.705 1.00 0.00 N ATOM 942 CA VAL A 63 5.380 -4.849 -0.510 1.00 0.00 C ATOM 943 C VAL A 63 4.201 -5.814 -0.562 1.00 0.00 C ATOM 944 O VAL A 63 3.614 -6.039 -1.621 1.00 0.00 O ATOM 945 CB VAL A 63 4.848 -3.414 -0.334 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.967 -2.402 -0.528 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.704 -3.148 -1.301 1.00 0.00 C ATOM 0 H VAL A 63 5.704 -4.836 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 63 6.014 -5.100 0.340 1.00 0.00 H new ATOM 0 HB VAL A 63 4.467 -3.308 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.572 -1.394 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.751 -2.581 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.381 -2.505 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.340 -2.130 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.057 -3.272 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.894 -3.852 -1.109 1.00 0.00 H new ATOM 957 N THR A 64 3.857 -6.382 0.589 1.00 0.00 N ATOM 958 CA THR A 64 2.748 -7.324 0.675 1.00 0.00 C ATOM 959 C THR A 64 1.465 -6.623 1.107 1.00 0.00 C ATOM 960 O THR A 64 1.322 -6.224 2.263 1.00 0.00 O ATOM 961 CB THR A 64 3.055 -8.464 1.665 1.00 0.00 C ATOM 962 OG1 THR A 64 4.027 -9.352 1.102 1.00 0.00 O ATOM 963 CG2 THR A 64 1.791 -9.238 2.007 1.00 0.00 C ATOM 0 H THR A 64 4.331 -6.206 1.475 1.00 0.00 H new ATOM 0 HA THR A 64 2.612 -7.745 -0.321 1.00 0.00 H new ATOM 0 HB THR A 64 3.452 -8.025 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.218 -10.073 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.032 -10.038 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.064 -8.565 2.461 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.370 -9.667 1.098 1.00 0.00 H new ATOM 971 N VAL A 65 0.532 -6.478 0.171 1.00 0.00 N ATOM 972 CA VAL A 65 -0.742 -5.827 0.456 1.00 0.00 C ATOM 973 C VAL A 65 -1.851 -6.854 0.654 1.00 0.00 C ATOM 974 O VAL A 65 -2.104 -7.688 -0.216 1.00 0.00 O ATOM 975 CB VAL A 65 -1.145 -4.864 -0.677 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.562 -4.354 -0.465 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.161 -3.707 -0.767 1.00 0.00 C ATOM 0 H VAL A 65 0.634 -6.802 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.609 -5.258 1.376 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.118 -5.409 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.829 -3.675 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.254 -5.196 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.620 -3.825 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.461 -3.036 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.154 -3.161 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.838 -4.094 -0.969 1.00 0.00 H new ATOM 987 N THR A 66 -2.513 -6.787 1.805 1.00 0.00 N ATOM 988 CA THR A 66 -3.596 -7.711 2.119 1.00 0.00 C ATOM 989 C THR A 66 -4.956 -7.053 1.915 1.00 0.00 C ATOM 990 O THR A 66 -5.062 -5.829 1.860 1.00 0.00 O ATOM 991 CB THR A 66 -3.496 -8.220 3.569 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.122 -8.331 3.957 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.181 -9.571 3.716 1.00 0.00 C ATOM 0 H THR A 66 -2.318 -6.102 2.535 1.00 0.00 H new ATOM 0 HA THR A 66 -3.499 -8.556 1.438 1.00 0.00 H new ATOM 0 HB THR A 66 -3.998 -7.503 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.068 -8.654 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.098 -9.911 4.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.234 -9.476 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.703 -10.295 3.056 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.995 -7.875 1.806 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.335 -7.354 1.610 1.00 0.00 C ATOM 1003 C GLY A 67 -8.026 -7.967 0.408 1.00 0.00 C ATOM 1004 O GLY A 67 -7.379 -8.573 -0.447 1.00 0.00 O ATOM 0 H GLY A 67 -5.933 -8.892 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.930 -7.545 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.286 -6.272 1.484 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.343 -7.810 0.341 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.123 -8.355 -0.765 1.00 0.00 C ATOM 1010 C LEU A 68 -9.457 -8.049 -2.103 1.00 0.00 C ATOM 1011 O LEU A 68 -8.703 -7.087 -2.243 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.541 -7.781 -0.746 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.474 -8.334 0.333 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.726 -9.817 0.112 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.892 -8.090 1.717 1.00 0.00 C ATOM 0 H LEU A 68 -9.893 -7.310 1.039 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.173 -9.437 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.473 -6.700 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.997 -7.960 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.428 -7.811 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.392 -10.193 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.187 -9.966 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.780 -10.357 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.569 -8.490 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.925 -8.586 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.765 -7.019 1.875 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.744 -8.886 -3.111 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.185 -8.724 -4.457 1.00 0.00 C ATOM 1029 C PRO A 69 -9.752 -7.506 -5.177 1.00 0.00 C ATOM 1030 O PRO A 69 -9.197 -7.052 -6.178 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.604 -10.011 -5.172 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.825 -10.465 -4.450 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.635 -10.054 -3.016 1.00 0.00 C ATOM 0 HA PRO A 69 -8.107 -8.564 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.812 -9.828 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.816 -10.763 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.720 -10.008 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.949 -11.545 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.583 -9.799 -2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.188 -10.853 -2.425 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.859 -6.980 -4.661 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.500 -5.814 -5.257 1.00 0.00 C ATOM 1043 C GLU A 70 -10.983 -4.526 -4.623 1.00 0.00 C ATOM 1044 O GLU A 70 -10.949 -3.476 -5.264 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.019 -5.901 -5.096 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.479 -5.888 -3.648 1.00 0.00 C ATOM 1047 CD GLU A 70 -13.737 -4.486 -3.130 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -13.481 -3.521 -3.880 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -14.193 -4.354 -1.976 1.00 0.00 O ATOM 0 H GLU A 70 -11.330 -7.343 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.255 -5.800 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.480 -5.065 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.375 -6.814 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.390 -6.479 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.723 -6.368 -3.026 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.581 -4.615 -3.359 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.067 -3.457 -2.637 1.00 0.00 C ATOM 1058 C ASN A 71 -8.564 -3.308 -2.848 1.00 0.00 C ATOM 1059 O ASN A 71 -8.052 -2.196 -2.981 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.374 -3.584 -1.143 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.850 -3.420 -0.840 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.546 -2.640 -1.491 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.336 -4.155 0.153 1.00 0.00 N ATOM 0 H ASN A 71 -10.601 -5.477 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.561 -2.567 -3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.039 -4.559 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.807 -2.832 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.322 -4.086 0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.723 -4.789 0.666 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.861 -4.436 -2.878 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.416 -4.432 -3.075 1.00 0.00 C ATOM 1072 C VAL A 72 -6.044 -3.773 -4.399 1.00 0.00 C ATOM 1073 O VAL A 72 -5.162 -2.916 -4.450 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.842 -5.861 -3.046 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.435 -5.882 -3.624 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.853 -6.410 -1.628 1.00 0.00 C ATOM 0 H VAL A 72 -8.269 -5.364 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.986 -3.859 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.473 -6.501 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.045 -6.899 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.460 -5.532 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.790 -5.230 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.444 -7.420 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.246 -5.772 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.877 -6.432 -1.254 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.723 -4.179 -5.467 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.462 -3.627 -6.792 1.00 0.00 C ATOM 1088 C GLU A 73 -6.532 -2.103 -6.769 1.00 0.00 C ATOM 1089 O GLU A 73 -5.685 -1.425 -7.350 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.467 -4.180 -7.805 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.899 -3.747 -7.541 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.912 -4.601 -8.278 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.537 -5.696 -8.745 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.080 -4.174 -8.386 1.00 0.00 O ATOM 0 H GLU A 73 -7.457 -4.887 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.456 -3.923 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.177 -3.857 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.418 -5.269 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.098 -3.796 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.021 -2.706 -7.840 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.548 -1.572 -6.096 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.728 -0.129 -5.999 1.00 0.00 C ATOM 1103 C GLU A 74 -6.621 0.504 -5.161 1.00 0.00 C ATOM 1104 O GLU A 74 -6.224 1.644 -5.396 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.094 0.197 -5.390 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.262 -0.371 -6.177 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.515 0.474 -6.054 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -12.144 0.448 -4.975 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -11.867 1.161 -7.035 1.00 0.00 O ATOM 0 H GLU A 74 -8.258 -2.120 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.678 0.285 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.130 -0.190 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.204 1.279 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.983 -0.450 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.474 -1.381 -5.827 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.128 -0.246 -4.181 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.066 0.239 -3.308 1.00 0.00 C ATOM 1118 C ALA A 75 -3.744 0.351 -4.061 1.00 0.00 C ATOM 1119 O ALA A 75 -3.047 1.361 -3.963 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.913 -0.677 -2.103 1.00 0.00 C ATOM 0 H ALA A 75 -6.447 -1.192 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.342 1.235 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.116 -0.302 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.849 -0.703 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.664 -1.683 -2.440 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.406 -0.693 -4.811 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.168 -0.710 -5.580 1.00 0.00 C ATOM 1128 C ILE A 76 -2.070 0.508 -6.492 1.00 0.00 C ATOM 1129 O ILE A 76 -1.107 1.271 -6.424 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.054 -1.987 -6.433 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.085 -3.229 -5.540 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.779 -1.958 -7.263 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.579 -4.471 -6.248 1.00 0.00 C ATOM 0 H ILE A 76 -3.972 -1.537 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.349 -0.688 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.906 -2.029 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.082 -3.415 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.725 -3.032 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.713 -2.867 -7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.794 -1.091 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.085 -1.895 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.574 -5.312 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.594 -4.305 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.926 -4.693 -7.092 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.074 0.684 -7.344 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.104 1.811 -8.268 1.00 0.00 C ATOM 1147 C ASP A 77 -2.732 3.108 -7.556 1.00 0.00 C ATOM 1148 O ASP A 77 -2.030 3.954 -8.111 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.489 1.943 -8.903 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.462 2.736 -10.194 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.679 2.373 -11.097 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.224 3.719 -10.302 1.00 0.00 O ATOM 0 H ASP A 77 -3.878 0.060 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.370 1.624 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.891 0.949 -9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.164 2.427 -8.197 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.208 3.258 -6.324 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.926 4.453 -5.536 1.00 0.00 C ATOM 1159 C HIS A 78 -1.477 4.458 -5.057 1.00 0.00 C ATOM 1160 O HIS A 78 -0.828 5.504 -5.028 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.872 4.533 -4.337 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.631 5.726 -3.463 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.492 6.801 -3.404 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.620 6.008 -2.609 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -4.020 7.694 -2.553 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.885 7.236 -2.056 1.00 0.00 N ATOM 0 H HIS A 78 -3.790 2.568 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.083 5.324 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.901 4.558 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.766 3.628 -3.740 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.358 6.892 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.764 5.383 -2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.483 8.638 -2.306 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.978 3.285 -4.684 1.00 0.00 N ATOM 1175 CA ILE A 79 0.393 3.156 -4.207 1.00 0.00 C ATOM 1176 C ILE A 79 1.390 3.574 -5.282 1.00 0.00 C ATOM 1177 O ILE A 79 2.192 4.487 -5.079 1.00 0.00 O ATOM 1178 CB ILE A 79 0.703 1.712 -3.770 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.103 1.350 -2.521 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.193 1.546 -3.511 1.00 0.00 C ATOM 1181 CD1 ILE A 79 -0.054 -0.122 -2.175 1.00 0.00 C ATOM 0 H ILE A 79 -1.502 2.410 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 79 0.491 3.817 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 79 0.416 1.035 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.274 1.926 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.142 1.645 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.397 0.520 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.748 1.768 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.504 2.230 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.647 -0.305 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.458 -0.704 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.979 -0.419 -1.993 1.00 0.00 H new ATOM 1193 N LEU A 80 1.334 2.903 -6.427 1.00 0.00 N ATOM 1194 CA LEU A 80 2.231 3.206 -7.537 1.00 0.00 C ATOM 1195 C LEU A 80 2.083 4.660 -7.976 1.00 0.00 C ATOM 1196 O LEU A 80 3.045 5.286 -8.418 1.00 0.00 O ATOM 1197 CB LEU A 80 1.949 2.274 -8.716 1.00 0.00 C ATOM 1198 CG LEU A 80 2.636 0.909 -8.673 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.792 -0.136 -9.386 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.023 0.990 -9.293 1.00 0.00 C ATOM 0 H LEU A 80 0.677 2.145 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 80 3.255 3.051 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.872 2.115 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.249 2.781 -9.633 1.00 0.00 H new ATOM 0 HG LEU A 80 2.743 0.610 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.297 -1.101 -9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.820 -0.214 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.653 0.157 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.497 0.009 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.939 1.311 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.628 1.708 -8.739 1.00 0.00 H new ATOM 1212 N ASN A 81 0.871 5.190 -7.847 1.00 0.00 N ATOM 1213 CA ASN A 81 0.598 6.571 -8.228 1.00 0.00 C ATOM 1214 C ASN A 81 1.527 7.533 -7.495 1.00 0.00 C ATOM 1215 O ASN A 81 2.086 8.452 -8.094 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.861 6.925 -7.929 1.00 0.00 C ATOM 1217 CG ASN A 81 -1.080 8.421 -7.812 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.509 9.205 -8.570 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.910 8.824 -6.857 1.00 0.00 N ATOM 0 H ASN A 81 0.063 4.685 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 81 0.777 6.668 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.498 6.528 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.166 6.442 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.096 9.819 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.362 8.139 -6.251 1.00 0.00 H new ATOM 1226 N LEU A 82 1.688 7.315 -6.194 1.00 0.00 N ATOM 1227 CA LEU A 82 2.551 8.161 -5.377 1.00 0.00 C ATOM 1228 C LEU A 82 4.021 7.836 -5.621 1.00 0.00 C ATOM 1229 O LEU A 82 4.891 8.691 -5.453 1.00 0.00 O ATOM 1230 CB LEU A 82 2.216 7.985 -3.895 1.00 0.00 C ATOM 1231 CG LEU A 82 0.775 8.295 -3.491 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.538 7.928 -2.034 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.458 9.764 -3.731 1.00 0.00 C ATOM 0 H LEU A 82 1.232 6.559 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 82 2.376 9.199 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.438 6.956 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.881 8.625 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 82 0.108 7.694 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.493 8.156 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.723 6.863 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.214 8.502 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.572 9.967 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.132 10.383 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.587 9.996 -4.788 1.00 0.00 H new ATOM 1245 N GLU A 83 4.290 6.597 -6.019 1.00 0.00 N ATOM 1246 CA GLU A 83 5.655 6.161 -6.287 1.00 0.00 C ATOM 1247 C GLU A 83 6.277 6.980 -7.414 1.00 0.00 C ATOM 1248 O GLU A 83 7.422 7.419 -7.317 1.00 0.00 O ATOM 1249 CB GLU A 83 5.678 4.674 -6.649 1.00 0.00 C ATOM 1250 CG GLU A 83 7.003 4.209 -7.228 1.00 0.00 C ATOM 1251 CD GLU A 83 7.059 4.341 -8.738 1.00 0.00 C ATOM 1252 OE1 GLU A 83 7.267 5.472 -9.226 1.00 0.00 O ATOM 1253 OE2 GLU A 83 6.896 3.315 -9.430 1.00 0.00 O ATOM 0 H GLU A 83 3.581 5.878 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 83 6.242 6.316 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.455 4.088 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.885 4.472 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.812 4.790 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.171 3.168 -6.952 1.00 0.00 H new ATOM 1260 N GLU A 84 5.513 7.180 -8.483 1.00 0.00 N ATOM 1261 CA GLU A 84 5.989 7.945 -9.630 1.00 0.00 C ATOM 1262 C GLU A 84 6.182 9.413 -9.262 1.00 0.00 C ATOM 1263 O GLU A 84 7.205 10.015 -9.586 1.00 0.00 O ATOM 1264 CB GLU A 84 5.005 7.824 -10.796 1.00 0.00 C ATOM 1265 CG GLU A 84 5.656 7.981 -12.160 1.00 0.00 C ATOM 1266 CD GLU A 84 6.329 6.708 -12.635 1.00 0.00 C ATOM 1267 OE1 GLU A 84 6.935 6.008 -11.797 1.00 0.00 O ATOM 1268 OE2 GLU A 84 6.249 6.412 -13.846 1.00 0.00 O ATOM 0 H GLU A 84 4.562 6.823 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 84 6.952 7.535 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.514 6.852 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.228 8.580 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.901 8.281 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.393 8.783 -12.117 1.00 0.00 H new ATOM 1275 N GLU A 85 5.190 9.982 -8.584 1.00 0.00 N ATOM 1276 CA GLU A 85 5.250 11.380 -8.174 1.00 0.00 C ATOM 1277 C GLU A 85 6.458 11.632 -7.276 1.00 0.00 C ATOM 1278 O GLU A 85 7.109 12.673 -7.370 1.00 0.00 O ATOM 1279 CB GLU A 85 3.966 11.776 -7.443 1.00 0.00 C ATOM 1280 CG GLU A 85 4.026 13.157 -6.811 1.00 0.00 C ATOM 1281 CD GLU A 85 3.670 14.261 -7.787 1.00 0.00 C ATOM 1282 OE1 GLU A 85 4.069 14.161 -8.966 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.993 15.225 -7.372 1.00 0.00 O ATOM 0 H GLU A 85 4.336 9.497 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 85 5.352 11.991 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.133 11.743 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.758 11.039 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.344 13.194 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.029 13.331 -6.422 1.00 0.00 H new ATOM 1290 N TYR A 86 6.750 10.673 -6.405 1.00 0.00 N ATOM 1291 CA TYR A 86 7.877 10.791 -5.487 1.00 0.00 C ATOM 1292 C TYR A 86 9.202 10.705 -6.237 1.00 0.00 C ATOM 1293 O TYR A 86 10.015 11.630 -6.195 1.00 0.00 O ATOM 1294 CB TYR A 86 7.810 9.696 -4.421 1.00 0.00 C ATOM 1295 CG TYR A 86 6.785 9.963 -3.342 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.701 11.206 -2.727 1.00 0.00 C ATOM 1297 CD2 TYR A 86 5.898 8.972 -2.938 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.766 11.454 -1.741 1.00 0.00 C ATOM 1299 CE2 TYR A 86 4.959 9.211 -1.954 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.897 10.454 -1.358 1.00 0.00 C ATOM 1301 OH TYR A 86 3.964 10.697 -0.377 1.00 0.00 O ATOM 0 H TYR A 86 6.222 9.805 -6.315 1.00 0.00 H new ATOM 0 HA TYR A 86 7.817 11.765 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.579 8.746 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.792 9.589 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.379 11.992 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.944 7.998 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.716 12.426 -1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.277 8.430 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 86 3.430 9.889 -0.226 1.00 0.00 H new ATOM 1311 N LEU A 87 9.413 9.588 -6.925 1.00 0.00 N ATOM 1312 CA LEU A 87 10.640 9.380 -7.688 1.00 0.00 C ATOM 1313 C LEU A 87 10.929 10.574 -8.591 1.00 0.00 C ATOM 1314 O LEU A 87 12.064 11.045 -8.670 1.00 0.00 O ATOM 1315 CB LEU A 87 10.531 8.105 -8.527 1.00 0.00 C ATOM 1316 CG LEU A 87 10.906 6.802 -7.820 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.607 5.607 -8.711 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.374 6.816 -7.418 1.00 0.00 C ATOM 0 H LEU A 87 8.751 8.813 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 87 11.464 9.275 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.506 8.018 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.169 8.216 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 87 10.304 6.715 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.880 4.688 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.543 5.587 -8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.183 5.687 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.623 5.881 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.994 6.926 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.558 7.651 -6.742 1.00 0.00 H new ATOM 1330 N ALA A 88 9.895 11.061 -9.269 1.00 0.00 N ATOM 1331 CA ALA A 88 10.038 12.203 -10.164 1.00 0.00 C ATOM 1332 C ALA A 88 10.892 13.295 -9.528 1.00 0.00 C ATOM 1333 O ALA A 88 11.677 13.956 -10.208 1.00 0.00 O ATOM 1334 CB ALA A 88 8.669 12.753 -10.540 1.00 0.00 C ATOM 0 H ALA A 88 8.949 10.683 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 88 10.543 11.864 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.790 13.605 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.091 11.977 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.144 13.071 -9.639 1.00 0.00 H new