USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 46:sc= 0.263! USER MOD Set 2.1: A 32 TYR OH : rot -62:sc= 0.363 USER MOD Set 2.2: A 40 CYS SG : rot 170:sc= 0.342 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -107:sc= -0.192 (180deg=-3.22!) USER MOD Single : A 17 ASN : amide:sc= 0.97 K(o=0.97,f=-0.26) USER MOD Single : A 18 MET CE :methyl -173:sc=-0.00183 (180deg=-0.126) USER MOD Single : A 20 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -3.18 X(o=-3.2,f=-2.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 72 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 78 SER OG : rot -76:sc= 0.103 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.916 USER MOD Single : A 89 SER OG : rot -39:sc= -0.456 USER MOD Single : A 90 THR OG1 : rot 34:sc= 1.06 USER MOD Single : A 96 GLN : amide:sc= 0.656 K(o=0.66,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.415 -12.341 7.565 1.00 0.00 N ATOM 105 CA LEU A 11 -2.934 -11.189 6.835 1.00 0.00 C ATOM 106 C LEU A 11 -4.418 -11.362 6.530 1.00 0.00 C ATOM 107 O LEU A 11 -5.210 -10.437 6.709 1.00 0.00 O ATOM 108 CB LEU A 11 -2.153 -10.991 5.535 1.00 0.00 C ATOM 109 CG LEU A 11 -2.387 -9.667 4.807 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.812 -8.509 5.608 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.776 -9.709 3.414 1.00 0.00 C ATOM 0 HA LEU A 11 -2.812 -10.306 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.089 -11.078 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.404 -11.806 4.856 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.462 -9.515 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.988 -7.575 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.296 -8.466 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.740 -8.655 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.952 -8.758 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.703 -9.885 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.234 -10.514 2.840 1.00 0.00 H new ATOM 123 N GLU A 12 -4.788 -12.553 6.069 1.00 0.00 N ATOM 124 CA GLU A 12 -6.177 -12.847 5.740 1.00 0.00 C ATOM 125 C GLU A 12 -7.087 -12.583 6.937 1.00 0.00 C ATOM 126 O GLU A 12 -8.166 -12.006 6.796 1.00 0.00 O ATOM 127 CB GLU A 12 -6.321 -14.301 5.286 1.00 0.00 C ATOM 128 CG GLU A 12 -6.178 -14.487 3.785 1.00 0.00 C ATOM 129 CD GLU A 12 -7.059 -13.540 2.993 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.235 -13.885 2.753 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.572 -12.454 2.614 1.00 0.00 O ATOM 0 H GLU A 12 -4.145 -13.329 5.915 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.478 -12.189 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.569 -14.907 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.296 -14.676 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.137 -14.332 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.430 -15.515 3.524 1.00 0.00 H new ATOM 138 N LYS A 13 -6.645 -13.011 8.114 1.00 0.00 N ATOM 139 CA LYS A 13 -7.416 -12.822 9.337 1.00 0.00 C ATOM 140 C LYS A 13 -7.664 -11.340 9.600 1.00 0.00 C ATOM 141 O LYS A 13 -8.809 -10.885 9.617 1.00 0.00 O ATOM 142 CB LYS A 13 -6.686 -13.448 10.527 1.00 0.00 C ATOM 143 CG LYS A 13 -6.108 -14.821 10.233 1.00 0.00 C ATOM 144 CD LYS A 13 -5.691 -15.535 11.508 1.00 0.00 C ATOM 145 CE LYS A 13 -4.463 -14.890 12.131 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.454 -15.032 13.614 1.00 0.00 N ATOM 0 H LYS A 13 -5.755 -13.492 8.247 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.379 -13.316 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.880 -12.783 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.377 -13.526 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.847 -15.422 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.247 -14.720 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.514 -15.518 12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.482 -16.582 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.564 -15.346 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.435 -13.833 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.601 -14.580 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.299 -14.575 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.455 -16.041 13.866 1.00 0.00 H new ATOM 160 N LEU A 14 -6.586 -10.592 9.804 1.00 0.00 N ATOM 161 CA LEU A 14 -6.686 -9.160 10.065 1.00 0.00 C ATOM 162 C LEU A 14 -7.487 -8.462 8.971 1.00 0.00 C ATOM 163 O LEU A 14 -8.507 -7.830 9.243 1.00 0.00 O ATOM 164 CB LEU A 14 -5.291 -8.541 10.166 1.00 0.00 C ATOM 165 CG LEU A 14 -5.239 -7.063 10.553 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.153 -6.909 12.063 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.062 -6.376 9.877 1.00 0.00 C ATOM 0 H LEU A 14 -5.632 -10.953 9.794 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.206 -9.024 11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.716 -9.108 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.791 -8.662 9.205 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.158 -6.585 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.117 -5.850 12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.028 -7.365 12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.252 -7.402 12.428 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.041 -5.325 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.134 -6.856 10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.167 -6.455 8.795 1.00 0.00 H new ATOM 179 N MET A 15 -7.019 -8.583 7.733 1.00 0.00 N ATOM 180 CA MET A 15 -7.694 -7.967 6.597 1.00 0.00 C ATOM 181 C MET A 15 -9.159 -8.387 6.542 1.00 0.00 C ATOM 182 O MET A 15 -10.027 -7.596 6.174 1.00 0.00 O ATOM 183 CB MET A 15 -6.993 -8.347 5.292 1.00 0.00 C ATOM 184 CG MET A 15 -5.673 -7.623 5.078 1.00 0.00 C ATOM 185 SD MET A 15 -5.856 -5.830 5.083 1.00 0.00 S ATOM 186 CE MET A 15 -4.552 -5.360 6.217 1.00 0.00 C ATOM 0 H MET A 15 -6.175 -9.102 7.491 1.00 0.00 H new ATOM 0 HA MET A 15 -7.649 -6.885 6.723 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.814 -9.422 5.285 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.657 -8.129 4.456 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.972 -7.915 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.240 -7.938 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.990 -5.042 7.163 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.895 -6.213 6.390 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.976 -4.539 5.789 1.00 0.00 H new ATOM 196 N GLU A 16 -9.426 -9.636 6.910 1.00 0.00 N ATOM 197 CA GLU A 16 -10.787 -10.160 6.900 1.00 0.00 C ATOM 198 C GLU A 16 -11.677 -9.380 7.865 1.00 0.00 C ATOM 199 O GLU A 16 -12.834 -9.091 7.562 1.00 0.00 O ATOM 200 CB GLU A 16 -10.789 -11.644 7.274 1.00 0.00 C ATOM 201 CG GLU A 16 -12.178 -12.208 7.517 1.00 0.00 C ATOM 202 CD GLU A 16 -12.168 -13.395 8.461 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.585 -13.274 9.559 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.743 -14.444 8.103 1.00 0.00 O ATOM 0 H GLU A 16 -8.719 -10.303 7.218 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.185 -10.046 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.310 -12.212 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.187 -11.785 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.817 -11.426 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.616 -12.509 6.565 1.00 0.00 H new ATOM 211 N ASN A 17 -11.127 -9.044 9.027 1.00 0.00 N ATOM 212 CA ASN A 17 -11.871 -8.300 10.037 1.00 0.00 C ATOM 213 C ASN A 17 -12.088 -6.855 9.597 1.00 0.00 C ATOM 214 O ASN A 17 -13.169 -6.296 9.777 1.00 0.00 O ATOM 215 CB ASN A 17 -11.128 -8.332 11.374 1.00 0.00 C ATOM 216 CG ASN A 17 -11.231 -9.680 12.061 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.161 -9.929 12.828 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.273 -10.558 11.787 1.00 0.00 N ATOM 0 H ASN A 17 -10.170 -9.275 9.293 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.845 -8.774 10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.078 -8.091 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.533 -7.561 12.030 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.289 -11.482 12.219 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.521 -10.308 11.145 1.00 0.00 H new ATOM 225 N MET A 18 -11.051 -6.256 9.020 1.00 0.00 N ATOM 226 CA MET A 18 -11.129 -4.877 8.553 1.00 0.00 C ATOM 227 C MET A 18 -12.078 -4.758 7.365 1.00 0.00 C ATOM 228 O MET A 18 -13.045 -3.996 7.405 1.00 0.00 O ATOM 229 CB MET A 18 -9.740 -4.368 8.163 1.00 0.00 C ATOM 230 CG MET A 18 -9.740 -2.942 7.637 1.00 0.00 C ATOM 231 SD MET A 18 -8.111 -2.409 7.076 1.00 0.00 S ATOM 232 CE MET A 18 -8.067 -3.124 5.435 1.00 0.00 C ATOM 0 H MET A 18 -10.148 -6.704 8.865 1.00 0.00 H new ATOM 0 HA MET A 18 -11.516 -4.266 9.368 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.084 -4.426 9.031 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.321 -5.027 7.402 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.448 -2.863 6.812 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.088 -2.270 8.421 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.074 -2.989 5.006 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.294 -4.188 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.806 -2.631 4.803 1.00 0.00 H new ATOM 242 N ARG A 19 -11.796 -5.515 6.310 1.00 0.00 N ATOM 243 CA ARG A 19 -12.625 -5.492 5.110 1.00 0.00 C ATOM 244 C ARG A 19 -14.107 -5.492 5.473 1.00 0.00 C ATOM 245 O ARG A 19 -14.936 -4.959 4.737 1.00 0.00 O ATOM 246 CB ARG A 19 -12.306 -6.696 4.222 1.00 0.00 C ATOM 247 CG ARG A 19 -10.959 -6.599 3.525 1.00 0.00 C ATOM 248 CD ARG A 19 -10.671 -7.840 2.694 1.00 0.00 C ATOM 249 NE ARG A 19 -10.105 -8.919 3.500 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.600 -10.034 2.985 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.590 -10.216 1.672 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.104 -10.970 3.784 1.00 0.00 N ATOM 0 H ARG A 19 -11.001 -6.152 6.261 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.403 -4.576 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.327 -7.601 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.088 -6.799 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.943 -5.718 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.172 -6.467 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.593 -8.184 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.979 -7.586 1.891 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.097 -8.810 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.971 -9.499 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.202 -11.073 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.110 -10.833 4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.716 -11.826 3.387 1.00 0.00 H new ATOM 266 N ASN A 20 -14.432 -6.095 6.612 1.00 0.00 N ATOM 267 CA ASN A 20 -15.814 -6.165 7.072 1.00 0.00 C ATOM 268 C ASN A 20 -16.335 -4.781 7.444 1.00 0.00 C ATOM 269 O ASN A 20 -17.176 -4.214 6.745 1.00 0.00 O ATOM 270 CB ASN A 20 -15.926 -7.105 8.275 1.00 0.00 C ATOM 271 CG ASN A 20 -15.721 -8.558 7.894 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.179 -9.007 6.843 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.030 -9.302 8.750 1.00 0.00 N ATOM 0 H ASN A 20 -13.757 -6.542 7.233 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.423 -6.555 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.187 -6.821 9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.908 -6.988 8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.860 -10.287 8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.669 -8.888 9.609 1.00 0.00 H new ATOM 280 N ASP A 21 -15.830 -4.241 8.548 1.00 0.00 N ATOM 281 CA ASP A 21 -16.243 -2.922 9.012 1.00 0.00 C ATOM 282 C ASP A 21 -15.916 -1.854 7.973 1.00 0.00 C ATOM 283 O ASP A 21 -16.509 -0.774 7.972 1.00 0.00 O ATOM 284 CB ASP A 21 -15.558 -2.587 10.338 1.00 0.00 C ATOM 285 CG ASP A 21 -16.406 -1.690 11.217 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.645 -1.849 11.208 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.831 -0.829 11.916 1.00 0.00 O ATOM 0 H ASP A 21 -15.134 -4.697 9.138 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.322 -2.938 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.337 -3.511 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.605 -2.098 10.138 1.00 0.00 H new ATOM 292 N ILE A 22 -14.971 -2.162 7.092 1.00 0.00 N ATOM 293 CA ILE A 22 -14.567 -1.228 6.048 1.00 0.00 C ATOM 294 C ILE A 22 -15.515 -1.292 4.855 1.00 0.00 C ATOM 295 O ILE A 22 -15.809 -0.275 4.228 1.00 0.00 O ATOM 296 CB ILE A 22 -13.132 -1.511 5.565 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.119 -0.778 6.447 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.972 -1.097 4.109 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.152 0.726 6.283 1.00 0.00 C ATOM 0 H ILE A 22 -14.471 -3.051 7.080 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.605 -0.230 6.485 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.944 -2.582 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.312 -1.026 7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.117 -1.139 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.953 -1.303 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.672 -1.660 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.176 -0.031 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.408 1.180 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.929 0.984 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.142 1.099 6.545 1.00 0.00 H new ATOM 311 N ALA A 23 -15.991 -2.495 4.549 1.00 0.00 N ATOM 312 CA ALA A 23 -16.909 -2.691 3.434 1.00 0.00 C ATOM 313 C ALA A 23 -18.344 -2.379 3.844 1.00 0.00 C ATOM 314 O ALA A 23 -19.203 -2.135 2.996 1.00 0.00 O ATOM 315 CB ALA A 23 -16.806 -4.116 2.910 1.00 0.00 C ATOM 0 H ALA A 23 -15.756 -3.348 5.057 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.628 -2.002 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.497 -4.248 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.788 -4.306 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.059 -4.816 3.706 1.00 0.00 H new ATOM 321 N SER A 24 -18.599 -2.390 5.148 1.00 0.00 N ATOM 322 CA SER A 24 -19.932 -2.113 5.670 1.00 0.00 C ATOM 323 C SER A 24 -20.070 -0.642 6.053 1.00 0.00 C ATOM 324 O SER A 24 -21.143 -0.053 5.921 1.00 0.00 O ATOM 325 CB SER A 24 -20.222 -2.997 6.884 1.00 0.00 C ATOM 326 OG SER A 24 -21.614 -3.216 7.034 1.00 0.00 O ATOM 0 H SER A 24 -17.899 -2.588 5.863 1.00 0.00 H new ATOM 0 HA SER A 24 -20.656 -2.337 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.710 -3.953 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.826 -2.526 7.784 1.00 0.00 H new ATOM 0 HG SER A 24 -21.773 -3.785 7.816 1.00 0.00 H new ATOM 332 N HIS A 25 -18.976 -0.056 6.527 1.00 0.00 N ATOM 333 CA HIS A 25 -18.973 1.347 6.929 1.00 0.00 C ATOM 334 C HIS A 25 -17.776 2.081 6.333 1.00 0.00 C ATOM 335 O HIS A 25 -16.996 2.722 7.038 1.00 0.00 O ATOM 336 CB HIS A 25 -18.950 1.462 8.454 1.00 0.00 C ATOM 337 CG HIS A 25 -20.305 1.358 9.083 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.916 2.411 9.731 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.168 0.319 9.160 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.096 2.022 10.181 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.274 0.757 9.847 1.00 0.00 N ATOM 0 H HIS A 25 -18.080 -0.530 6.642 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.885 1.810 6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.309 0.679 8.860 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.502 2.416 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.016 -0.671 8.756 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.796 2.635 10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.098 0.197 10.064 1.00 0.00 H new ATOM 349 N PRO A 26 -17.624 1.985 5.004 1.00 0.00 N ATOM 350 CA PRO A 26 -16.524 2.634 4.284 1.00 0.00 C ATOM 351 C PRO A 26 -16.350 4.094 4.685 1.00 0.00 C ATOM 352 O PRO A 26 -17.313 4.797 4.993 1.00 0.00 O ATOM 353 CB PRO A 26 -16.949 2.529 2.818 1.00 0.00 C ATOM 354 CG PRO A 26 -17.843 1.338 2.767 1.00 0.00 C ATOM 355 CD PRO A 26 -18.516 1.238 4.101 1.00 0.00 C ATOM 0 HA PRO A 26 -15.564 2.165 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.470 3.429 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.086 2.405 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.580 1.443 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.271 0.435 2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.516 1.672 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.626 0.200 4.416 1.00 0.00 H new ATOM 363 N PRO A 27 -15.094 4.564 4.681 1.00 0.00 N ATOM 364 CA PRO A 27 -14.765 5.947 5.042 1.00 0.00 C ATOM 365 C PRO A 27 -15.247 6.948 3.998 1.00 0.00 C ATOM 366 O PRO A 27 -15.533 6.583 2.857 1.00 0.00 O ATOM 367 CB PRO A 27 -13.236 5.941 5.111 1.00 0.00 C ATOM 368 CG PRO A 27 -12.820 4.825 4.215 1.00 0.00 C ATOM 369 CD PRO A 27 -13.898 3.783 4.325 1.00 0.00 C ATOM 0 HA PRO A 27 -15.246 6.252 5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.821 6.892 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.886 5.781 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.713 5.169 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.854 4.421 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.034 3.245 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.662 3.040 5.087 1.00 0.00 H new ATOM 377 N VAL A 28 -15.335 8.214 4.394 1.00 0.00 N ATOM 378 CA VAL A 28 -15.780 9.269 3.492 1.00 0.00 C ATOM 379 C VAL A 28 -14.626 9.793 2.646 1.00 0.00 C ATOM 380 O VAL A 28 -13.582 10.177 3.174 1.00 0.00 O ATOM 381 CB VAL A 28 -16.409 10.442 4.267 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.615 11.638 3.351 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.722 10.016 4.906 1.00 0.00 C ATOM 0 H VAL A 28 -15.104 8.534 5.335 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.534 8.829 2.839 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.724 10.738 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.060 12.457 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.654 11.956 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.279 11.359 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -18.152 10.857 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.416 9.692 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.540 9.193 5.597 1.00 0.00 H new ATOM 393 N GLU A 29 -14.821 9.807 1.331 1.00 0.00 N ATOM 394 CA GLU A 29 -13.794 10.285 0.413 1.00 0.00 C ATOM 395 C GLU A 29 -13.365 11.706 0.768 1.00 0.00 C ATOM 396 O GLU A 29 -14.146 12.649 0.655 1.00 0.00 O ATOM 397 CB GLU A 29 -14.307 10.241 -1.028 1.00 0.00 C ATOM 398 CG GLU A 29 -15.221 11.401 -1.385 1.00 0.00 C ATOM 399 CD GLU A 29 -16.081 11.114 -2.600 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.585 11.286 -3.733 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.251 10.716 -2.418 1.00 0.00 O ATOM 0 H GLU A 29 -15.679 9.493 0.878 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.928 9.629 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.455 10.238 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.843 9.305 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.864 11.627 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.618 12.289 -1.573 1.00 0.00 H new ATOM 408 N GLY A 30 -12.115 11.850 1.198 1.00 0.00 N ATOM 409 CA GLY A 30 -11.602 13.157 1.564 1.00 0.00 C ATOM 410 C GLY A 30 -11.820 13.476 3.030 1.00 0.00 C ATOM 411 O GLY A 30 -11.909 14.643 3.412 1.00 0.00 O ATOM 0 H GLY A 30 -11.449 11.084 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.536 13.201 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.088 13.918 0.954 1.00 0.00 H new ATOM 415 N SER A 31 -11.909 12.437 3.853 1.00 0.00 N ATOM 416 CA SER A 31 -12.124 12.611 5.285 1.00 0.00 C ATOM 417 C SER A 31 -10.806 12.519 6.047 1.00 0.00 C ATOM 418 O SER A 31 -10.689 13.011 7.170 1.00 0.00 O ATOM 419 CB SER A 31 -13.103 11.559 5.807 1.00 0.00 C ATOM 420 OG SER A 31 -12.425 10.372 6.181 1.00 0.00 O ATOM 0 H SER A 31 -11.836 11.465 3.553 1.00 0.00 H new ATOM 0 HA SER A 31 -12.548 13.602 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.646 11.957 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.842 11.333 5.039 1.00 0.00 H new ATOM 0 HG SER A 31 -13.073 9.716 6.513 1.00 0.00 H new ATOM 426 N TYR A 32 -9.815 11.886 5.429 1.00 0.00 N ATOM 427 CA TYR A 32 -8.505 11.726 6.049 1.00 0.00 C ATOM 428 C TYR A 32 -7.428 12.441 5.239 1.00 0.00 C ATOM 429 O TYR A 32 -7.367 12.311 4.017 1.00 0.00 O ATOM 430 CB TYR A 32 -8.158 10.242 6.182 1.00 0.00 C ATOM 431 CG TYR A 32 -6.675 9.975 6.297 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.852 10.016 5.178 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.095 9.683 7.526 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.496 9.771 5.279 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.739 9.439 7.636 1.00 0.00 C ATOM 436 CZ TYR A 32 -3.945 9.484 6.510 1.00 0.00 C ATOM 437 OH TYR A 32 -2.594 9.242 6.614 1.00 0.00 O ATOM 0 H TYR A 32 -9.894 11.475 4.499 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.544 12.173 7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.661 9.837 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.549 9.707 5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.280 10.243 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.714 9.646 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.871 9.804 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.304 9.214 8.599 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.362 8.451 6.084 1.00 0.00 H new ATOM 447 N ALA A 33 -6.580 13.195 5.930 1.00 0.00 N ATOM 448 CA ALA A 33 -5.503 13.929 5.277 1.00 0.00 C ATOM 449 C ALA A 33 -4.182 13.174 5.383 1.00 0.00 C ATOM 450 O ALA A 33 -3.601 13.039 6.460 1.00 0.00 O ATOM 451 CB ALA A 33 -5.369 15.319 5.881 1.00 0.00 C ATOM 0 H ALA A 33 -6.618 13.314 6.942 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.752 14.027 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.561 15.855 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.303 15.865 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.147 15.234 6.945 1.00 0.00 H new ATOM 457 N PRO A 34 -3.694 12.670 4.239 1.00 0.00 N ATOM 458 CA PRO A 34 -2.436 11.921 4.178 1.00 0.00 C ATOM 459 C PRO A 34 -1.220 12.808 4.419 1.00 0.00 C ATOM 460 O PRO A 34 -1.091 13.877 3.821 1.00 0.00 O ATOM 461 CB PRO A 34 -2.421 11.369 2.750 1.00 0.00 C ATOM 462 CG PRO A 34 -3.269 12.314 1.971 1.00 0.00 C ATOM 463 CD PRO A 34 -4.334 12.793 2.919 1.00 0.00 C ATOM 0 HA PRO A 34 -2.382 11.151 4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.407 11.327 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.820 10.356 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.678 13.149 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.710 11.820 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.627 13.822 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.236 12.185 2.851 1.00 0.00 H new ATOM 471 N ARG A 35 -0.330 12.359 5.299 1.00 0.00 N ATOM 472 CA ARG A 35 0.875 13.114 5.619 1.00 0.00 C ATOM 473 C ARG A 35 2.123 12.262 5.405 1.00 0.00 C ATOM 474 O ARG A 35 2.090 11.043 5.570 1.00 0.00 O ATOM 475 CB ARG A 35 0.824 13.607 7.067 1.00 0.00 C ATOM 476 CG ARG A 35 -0.363 14.509 7.361 1.00 0.00 C ATOM 477 CD ARG A 35 -0.034 15.969 7.092 1.00 0.00 C ATOM 478 NE ARG A 35 -0.211 16.320 5.685 1.00 0.00 N ATOM 479 CZ ARG A 35 -0.307 17.569 5.245 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.243 18.582 6.098 1.00 0.00 N ATOM 481 NH2 ARG A 35 -0.467 17.808 3.950 1.00 0.00 N ATOM 0 H ARG A 35 -0.421 11.477 5.802 1.00 0.00 H new ATOM 0 HA ARG A 35 0.923 13.974 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.789 12.746 7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.744 14.147 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.211 14.207 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.664 14.389 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.672 16.604 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.996 16.169 7.389 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.264 15.564 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.120 18.403 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.317 19.541 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.516 17.032 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.541 18.768 3.614 1.00 0.00 H new ATOM 495 N ARG A 36 3.221 12.914 5.035 1.00 0.00 N ATOM 496 CA ARG A 36 4.478 12.216 4.795 1.00 0.00 C ATOM 497 C ARG A 36 4.953 11.502 6.058 1.00 0.00 C ATOM 498 O ARG A 36 5.454 12.132 6.988 1.00 0.00 O ATOM 499 CB ARG A 36 5.549 13.200 4.320 1.00 0.00 C ATOM 500 CG ARG A 36 6.883 12.543 4.003 1.00 0.00 C ATOM 501 CD ARG A 36 7.630 13.296 2.914 1.00 0.00 C ATOM 502 NE ARG A 36 9.077 13.144 3.038 1.00 0.00 N ATOM 503 CZ ARG A 36 9.782 13.626 4.055 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.177 14.287 5.032 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.097 13.447 4.097 1.00 0.00 N ATOM 0 H ARG A 36 3.265 13.923 4.895 1.00 0.00 H new ATOM 0 HA ARG A 36 4.308 11.470 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.187 13.716 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.700 13.958 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.494 12.504 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.717 11.513 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.310 12.933 1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.371 14.354 2.962 1.00 0.00 H new ATOM 0 HE ARG A 36 9.573 12.640 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.167 14.427 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.722 14.656 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.567 12.939 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.637 13.818 4.879 1.00 0.00 H new ATOM 519 N GLY A 37 4.790 10.183 6.082 1.00 0.00 N ATOM 520 CA GLY A 37 5.205 9.405 7.234 1.00 0.00 C ATOM 521 C GLY A 37 4.045 9.048 8.142 1.00 0.00 C ATOM 522 O GLY A 37 4.192 9.015 9.363 1.00 0.00 O ATOM 0 H GLY A 37 4.378 9.639 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.691 8.490 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.946 9.968 7.801 1.00 0.00 H new ATOM 526 N GLU A 38 2.888 8.781 7.544 1.00 0.00 N ATOM 527 CA GLU A 38 1.698 8.428 8.308 1.00 0.00 C ATOM 528 C GLU A 38 1.017 7.196 7.717 1.00 0.00 C ATOM 529 O GLU A 38 0.896 7.065 6.499 1.00 0.00 O ATOM 530 CB GLU A 38 0.716 9.601 8.338 1.00 0.00 C ATOM 531 CG GLU A 38 0.954 10.565 9.488 1.00 0.00 C ATOM 532 CD GLU A 38 0.615 9.958 10.836 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.322 9.135 10.899 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.287 10.308 11.829 1.00 0.00 O ATOM 0 H GLU A 38 2.750 8.803 6.534 1.00 0.00 H new ATOM 0 HA GLU A 38 2.008 8.197 9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.786 10.147 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.300 9.212 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.999 10.877 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.354 11.462 9.336 1.00 0.00 H new ATOM 541 N PHE A 39 0.576 6.296 8.589 1.00 0.00 N ATOM 542 CA PHE A 39 -0.091 5.074 8.154 1.00 0.00 C ATOM 543 C PHE A 39 -1.574 5.326 7.895 1.00 0.00 C ATOM 544 O PHE A 39 -2.183 6.200 8.513 1.00 0.00 O ATOM 545 CB PHE A 39 0.075 3.975 9.206 1.00 0.00 C ATOM 546 CG PHE A 39 1.477 3.444 9.302 1.00 0.00 C ATOM 547 CD1 PHE A 39 2.463 4.169 9.952 1.00 0.00 C ATOM 548 CD2 PHE A 39 1.808 2.221 8.742 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.754 3.683 10.043 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.097 1.730 8.830 1.00 0.00 C ATOM 551 CZ PHE A 39 4.072 2.463 9.480 1.00 0.00 C ATOM 0 H PHE A 39 0.668 6.389 9.601 1.00 0.00 H new ATOM 0 HA PHE A 39 0.372 4.749 7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.224 4.366 10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.601 3.153 8.971 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.220 5.125 10.393 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.051 1.645 8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.513 4.257 10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.342 0.774 8.391 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.080 2.082 9.547 1.00 0.00 H new ATOM 561 N CYS A 40 -2.147 4.555 6.978 1.00 0.00 N ATOM 562 CA CYS A 40 -3.558 4.695 6.635 1.00 0.00 C ATOM 563 C CYS A 40 -3.996 3.594 5.674 1.00 0.00 C ATOM 564 O CYS A 40 -3.175 2.809 5.199 1.00 0.00 O ATOM 565 CB CYS A 40 -3.819 6.067 6.012 1.00 0.00 C ATOM 566 SG CYS A 40 -2.726 6.470 4.629 1.00 0.00 S ATOM 0 H CYS A 40 -1.657 3.827 6.459 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.140 4.604 7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.852 6.107 5.668 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.709 6.831 6.782 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.155 7.544 4.035 1.00 0.00 H new ATOM 572 N ILE A 41 -5.293 3.542 5.394 1.00 0.00 N ATOM 573 CA ILE A 41 -5.840 2.537 4.491 1.00 0.00 C ATOM 574 C ILE A 41 -6.074 3.118 3.100 1.00 0.00 C ATOM 575 O ILE A 41 -6.600 4.221 2.958 1.00 0.00 O ATOM 576 CB ILE A 41 -7.164 1.961 5.024 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.220 3.064 5.131 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.947 1.297 6.376 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.590 2.554 5.516 1.00 0.00 C ATOM 0 H ILE A 41 -5.985 4.184 5.779 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.104 1.735 4.429 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.522 1.207 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.894 3.797 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.290 3.583 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.892 0.895 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.224 0.488 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.569 2.032 7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.287 3.390 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.937 1.843 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.535 2.061 6.486 1.00 0.00 H new ATOM 591 N ALA A 42 -5.683 2.366 2.077 1.00 0.00 N ATOM 592 CA ALA A 42 -5.854 2.803 0.697 1.00 0.00 C ATOM 593 C ALA A 42 -6.791 1.871 -0.062 1.00 0.00 C ATOM 594 O ALA A 42 -6.755 0.654 0.120 1.00 0.00 O ATOM 595 CB ALA A 42 -4.505 2.884 -0.002 1.00 0.00 C ATOM 0 H ALA A 42 -5.245 1.450 2.178 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.304 3.796 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.648 3.212 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.867 3.597 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.033 1.902 0.004 1.00 0.00 H new ATOM 601 N LYS A 43 -7.631 2.449 -0.914 1.00 0.00 N ATOM 602 CA LYS A 43 -8.578 1.671 -1.703 1.00 0.00 C ATOM 603 C LYS A 43 -7.935 1.178 -2.995 1.00 0.00 C ATOM 604 O LYS A 43 -7.390 1.966 -3.769 1.00 0.00 O ATOM 605 CB LYS A 43 -9.817 2.510 -2.025 1.00 0.00 C ATOM 606 CG LYS A 43 -11.087 1.690 -2.167 1.00 0.00 C ATOM 607 CD LYS A 43 -12.310 2.579 -2.319 1.00 0.00 C ATOM 608 CE LYS A 43 -13.567 1.890 -1.810 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.801 2.478 -2.401 1.00 0.00 N ATOM 0 H LYS A 43 -7.675 3.455 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.877 0.804 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.959 3.250 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.643 3.059 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.003 1.034 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.208 1.050 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.156 3.508 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.439 2.845 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.521 0.828 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.611 1.971 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.635 1.981 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.859 3.486 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.772 2.378 -3.436 1.00 0.00 H new ATOM 623 N PHE A 44 -8.004 -0.129 -3.224 1.00 0.00 N ATOM 624 CA PHE A 44 -7.428 -0.727 -4.424 1.00 0.00 C ATOM 625 C PHE A 44 -8.413 -0.666 -5.588 1.00 0.00 C ATOM 626 O PHE A 44 -9.626 -0.604 -5.387 1.00 0.00 O ATOM 627 CB PHE A 44 -7.029 -2.179 -4.154 1.00 0.00 C ATOM 628 CG PHE A 44 -5.982 -2.697 -5.098 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.799 -2.001 -5.292 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.179 -3.881 -5.790 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.835 -2.475 -6.161 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.217 -4.361 -6.660 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.043 -3.657 -6.844 1.00 0.00 C ATOM 0 H PHE A 44 -8.453 -0.795 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.539 -0.157 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.659 -2.262 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.915 -2.810 -4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.629 -1.078 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.095 -4.436 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.919 -1.921 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.383 -5.285 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.289 -4.030 -7.521 1.00 0.00 H new ATOM 643 N VAL A 45 -7.882 -0.683 -6.806 1.00 0.00 N ATOM 644 CA VAL A 45 -8.713 -0.631 -8.003 1.00 0.00 C ATOM 645 C VAL A 45 -9.899 -1.581 -7.891 1.00 0.00 C ATOM 646 O VAL A 45 -10.908 -1.415 -8.577 1.00 0.00 O ATOM 647 CB VAL A 45 -7.903 -0.985 -9.264 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.728 -0.033 -9.429 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.426 -2.428 -9.203 1.00 0.00 C ATOM 0 H VAL A 45 -6.880 -0.732 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.078 0.392 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.552 -0.877 -10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.167 -0.299 -10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.097 0.988 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.076 -0.105 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.855 -2.661 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.793 -2.565 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.287 -3.093 -9.137 1.00 0.00 H new ATOM 659 N ASP A 46 -9.772 -2.578 -7.022 1.00 0.00 N ATOM 660 CA ASP A 46 -10.834 -3.555 -6.818 1.00 0.00 C ATOM 661 C ASP A 46 -11.680 -3.193 -5.600 1.00 0.00 C ATOM 662 O ASP A 46 -12.241 -4.066 -4.940 1.00 0.00 O ATOM 663 CB ASP A 46 -10.242 -4.955 -6.644 1.00 0.00 C ATOM 664 CG ASP A 46 -11.214 -6.048 -7.043 1.00 0.00 C ATOM 665 OD1 ASP A 46 -12.421 -5.900 -6.760 1.00 0.00 O ATOM 666 OD2 ASP A 46 -10.768 -7.052 -7.637 1.00 0.00 O ATOM 0 H ASP A 46 -8.943 -2.730 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.475 -3.546 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.337 -5.041 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.949 -5.096 -5.604 1.00 0.00 H new ATOM 671 N GLY A 47 -11.765 -1.898 -5.310 1.00 0.00 N ATOM 672 CA GLY A 47 -12.543 -1.444 -4.172 1.00 0.00 C ATOM 673 C GLY A 47 -12.165 -2.157 -2.889 1.00 0.00 C ATOM 674 O GLY A 47 -12.981 -2.277 -1.975 1.00 0.00 O ATOM 0 H GLY A 47 -11.310 -1.156 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.400 -0.371 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.602 -1.603 -4.374 1.00 0.00 H new ATOM 678 N GLU A 48 -10.926 -2.634 -2.821 1.00 0.00 N ATOM 679 CA GLU A 48 -10.444 -3.342 -1.641 1.00 0.00 C ATOM 680 C GLU A 48 -9.468 -2.477 -0.849 1.00 0.00 C ATOM 681 O GLU A 48 -8.440 -2.046 -1.370 1.00 0.00 O ATOM 682 CB GLU A 48 -9.767 -4.653 -2.047 1.00 0.00 C ATOM 683 CG GLU A 48 -10.740 -5.716 -2.531 1.00 0.00 C ATOM 684 CD GLU A 48 -11.608 -6.264 -1.415 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.118 -6.354 -0.271 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.779 -6.602 -1.688 1.00 0.00 O ATOM 0 H GLU A 48 -10.238 -2.543 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.302 -3.566 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.043 -4.449 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.210 -5.043 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.377 -5.293 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.182 -6.534 -2.987 1.00 0.00 H new ATOM 693 N TRP A 49 -9.799 -2.228 0.413 1.00 0.00 N ATOM 694 CA TRP A 49 -8.952 -1.414 1.278 1.00 0.00 C ATOM 695 C TRP A 49 -7.755 -2.215 1.779 1.00 0.00 C ATOM 696 O TRP A 49 -7.880 -3.394 2.110 1.00 0.00 O ATOM 697 CB TRP A 49 -9.759 -0.885 2.465 1.00 0.00 C ATOM 698 CG TRP A 49 -10.756 0.168 2.084 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.064 -0.026 1.746 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.522 1.578 1.999 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.659 1.179 1.457 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.734 2.178 1.606 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.408 2.392 2.220 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.860 3.553 1.428 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.534 3.757 2.043 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.753 4.326 1.651 1.00 0.00 C ATOM 0 H TRP A 49 -10.647 -2.577 0.860 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.583 -0.571 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.282 -1.716 2.939 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.074 -0.475 3.207 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.559 -0.985 1.711 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.631 1.308 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.465 1.962 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.798 3.994 1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.679 4.395 2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.820 5.396 1.522 1.00 0.00 H new ATOM 717 N TYR A 50 -6.596 -1.568 1.831 1.00 0.00 N ATOM 718 CA TYR A 50 -5.376 -2.222 2.289 1.00 0.00 C ATOM 719 C TYR A 50 -4.497 -1.250 3.070 1.00 0.00 C ATOM 720 O TYR A 50 -4.539 -0.040 2.845 1.00 0.00 O ATOM 721 CB TYR A 50 -4.598 -2.787 1.099 1.00 0.00 C ATOM 722 CG TYR A 50 -5.332 -3.884 0.361 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.476 -5.148 0.919 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.884 -3.655 -0.893 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.145 -6.153 0.248 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.556 -4.653 -1.571 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.684 -5.901 -0.997 1.00 0.00 C ATOM 728 OH TYR A 50 -7.353 -6.899 -1.668 1.00 0.00 O ATOM 0 H TYR A 50 -6.476 -0.592 1.562 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.659 -3.040 2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.377 -1.978 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.642 -3.174 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.058 -5.348 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.786 -2.679 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.246 -7.131 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.979 -4.458 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.671 -6.557 -2.530 1.00 0.00 H new ATOM 738 N ARG A 51 -3.702 -1.789 3.988 1.00 0.00 N ATOM 739 CA ARG A 51 -2.813 -0.970 4.803 1.00 0.00 C ATOM 740 C ARG A 51 -1.667 -0.411 3.965 1.00 0.00 C ATOM 741 O ARG A 51 -1.117 -1.102 3.108 1.00 0.00 O ATOM 742 CB ARG A 51 -2.254 -1.791 5.968 1.00 0.00 C ATOM 743 CG ARG A 51 -3.152 -1.797 7.194 1.00 0.00 C ATOM 744 CD ARG A 51 -2.349 -1.989 8.471 1.00 0.00 C ATOM 745 NE ARG A 51 -2.207 -3.399 8.822 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.245 -4.182 8.345 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.345 -3.693 7.503 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.181 -5.455 8.711 1.00 0.00 N ATOM 0 H ARG A 51 -3.655 -2.788 4.186 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.391 -0.135 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.099 -2.818 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.277 -1.395 6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.703 -0.858 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.889 -2.595 7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.361 -1.545 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.837 -1.459 9.289 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.883 -3.805 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.390 -2.714 7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.393 -4.296 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.871 -5.834 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.442 -6.055 8.344 1.00 0.00 H new ATOM 762 N ALA A 52 -1.312 0.844 4.220 1.00 0.00 N ATOM 763 CA ALA A 52 -0.231 1.495 3.490 1.00 0.00 C ATOM 764 C ALA A 52 0.302 2.700 4.258 1.00 0.00 C ATOM 765 O ALA A 52 -0.428 3.337 5.017 1.00 0.00 O ATOM 766 CB ALA A 52 -0.706 1.917 2.107 1.00 0.00 C ATOM 0 H ALA A 52 -1.757 1.430 4.926 1.00 0.00 H new ATOM 0 HA ALA A 52 0.582 0.778 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.112 2.402 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.032 1.038 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.539 2.614 2.205 1.00 0.00 H new ATOM 772 N ARG A 53 1.580 3.006 4.057 1.00 0.00 N ATOM 773 CA ARG A 53 2.211 4.133 4.732 1.00 0.00 C ATOM 774 C ARG A 53 2.560 5.237 3.738 1.00 0.00 C ATOM 775 O ARG A 53 3.293 5.011 2.776 1.00 0.00 O ATOM 776 CB ARG A 53 3.473 3.674 5.465 1.00 0.00 C ATOM 777 CG ARG A 53 4.132 4.769 6.288 1.00 0.00 C ATOM 778 CD ARG A 53 5.359 4.253 7.022 1.00 0.00 C ATOM 779 NE ARG A 53 5.888 5.236 7.964 1.00 0.00 N ATOM 780 CZ ARG A 53 6.689 4.926 8.977 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.053 3.667 9.178 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.128 5.876 9.792 1.00 0.00 N ATOM 0 H ARG A 53 2.198 2.489 3.432 1.00 0.00 H new ATOM 0 HA ARG A 53 1.502 4.532 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.219 2.841 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.190 3.298 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.417 5.594 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.416 5.165 7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.103 3.339 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.131 3.993 6.298 1.00 0.00 H new ATOM 0 HE ARG A 53 5.628 6.214 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.718 2.933 8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.668 3.432 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.850 6.846 9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.743 5.637 10.570 1.00 0.00 H new ATOM 796 N VAL A 54 2.028 6.431 3.978 1.00 0.00 N ATOM 797 CA VAL A 54 2.283 7.571 3.104 1.00 0.00 C ATOM 798 C VAL A 54 3.779 7.789 2.909 1.00 0.00 C ATOM 799 O VAL A 54 4.512 8.021 3.869 1.00 0.00 O ATOM 800 CB VAL A 54 1.655 8.860 3.666 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.962 10.042 2.759 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.154 8.689 3.843 1.00 0.00 C ATOM 0 H VAL A 54 1.418 6.635 4.770 1.00 0.00 H new ATOM 0 HA VAL A 54 1.824 7.342 2.142 1.00 0.00 H new ATOM 0 HB VAL A 54 2.092 9.060 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.510 10.944 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.041 10.176 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.554 9.854 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.273 9.610 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.303 8.464 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.040 7.870 4.536 1.00 0.00 H new ATOM 812 N GLU A 55 4.224 7.715 1.658 1.00 0.00 N ATOM 813 CA GLU A 55 5.634 7.905 1.338 1.00 0.00 C ATOM 814 C GLU A 55 5.906 9.346 0.916 1.00 0.00 C ATOM 815 O GLU A 55 6.926 9.930 1.283 1.00 0.00 O ATOM 816 CB GLU A 55 6.060 6.946 0.223 1.00 0.00 C ATOM 817 CG GLU A 55 5.910 5.480 0.592 1.00 0.00 C ATOM 818 CD GLU A 55 6.418 4.551 -0.494 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.690 4.343 -1.486 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.545 4.032 -0.350 1.00 0.00 O ATOM 0 H GLU A 55 3.629 7.525 0.851 1.00 0.00 H new ATOM 0 HA GLU A 55 6.216 7.691 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.466 7.151 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.100 7.142 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.454 5.284 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.860 5.264 0.788 1.00 0.00 H new ATOM 827 N LYS A 56 4.988 9.913 0.142 1.00 0.00 N ATOM 828 CA LYS A 56 5.126 11.286 -0.331 1.00 0.00 C ATOM 829 C LYS A 56 3.773 11.861 -0.735 1.00 0.00 C ATOM 830 O LYS A 56 3.092 11.320 -1.606 1.00 0.00 O ATOM 831 CB LYS A 56 6.092 11.343 -1.517 1.00 0.00 C ATOM 832 CG LYS A 56 5.774 12.451 -2.507 1.00 0.00 C ATOM 833 CD LYS A 56 6.901 12.646 -3.507 1.00 0.00 C ATOM 834 CE LYS A 56 6.401 13.284 -4.793 1.00 0.00 C ATOM 835 NZ LYS A 56 7.476 13.379 -5.820 1.00 0.00 N ATOM 0 H LYS A 56 4.139 9.443 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 56 5.526 11.887 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.106 11.482 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.072 10.385 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.853 12.212 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.599 13.382 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.676 13.273 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.360 11.683 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.571 12.699 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.015 14.280 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.095 13.819 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.258 13.958 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.827 12.426 -6.044 1.00 0.00 H new ATOM 849 N VAL A 57 3.389 12.963 -0.098 1.00 0.00 N ATOM 850 CA VAL A 57 2.118 13.614 -0.393 1.00 0.00 C ATOM 851 C VAL A 57 2.312 14.796 -1.336 1.00 0.00 C ATOM 852 O VAL A 57 2.856 15.829 -0.947 1.00 0.00 O ATOM 853 CB VAL A 57 1.427 14.104 0.893 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.046 14.658 0.579 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.340 12.979 1.913 1.00 0.00 C ATOM 0 H VAL A 57 3.940 13.424 0.626 1.00 0.00 H new ATOM 0 HA VAL A 57 1.485 12.869 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 57 2.025 14.907 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.427 14.999 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.138 15.495 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.565 13.877 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.849 13.343 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.765 12.153 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.344 12.634 2.160 1.00 0.00 H new ATOM 865 N GLU A 58 1.863 14.636 -2.577 1.00 0.00 N ATOM 866 CA GLU A 58 1.987 15.692 -3.575 1.00 0.00 C ATOM 867 C GLU A 58 0.778 16.622 -3.538 1.00 0.00 C ATOM 868 O GLU A 58 0.902 17.806 -3.224 1.00 0.00 O ATOM 869 CB GLU A 58 2.136 15.087 -4.973 1.00 0.00 C ATOM 870 CG GLU A 58 3.569 14.730 -5.333 1.00 0.00 C ATOM 871 CD GLU A 58 4.505 15.920 -5.248 1.00 0.00 C ATOM 872 OE1 GLU A 58 5.027 16.188 -4.146 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.714 16.584 -6.285 1.00 0.00 O ATOM 0 H GLU A 58 1.411 13.786 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 58 2.878 16.274 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.520 14.190 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.751 15.794 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.923 13.945 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.595 14.323 -6.344 1.00 0.00 H new ATOM 880 N SER A 59 -0.390 16.077 -3.860 1.00 0.00 N ATOM 881 CA SER A 59 -1.622 16.858 -3.868 1.00 0.00 C ATOM 882 C SER A 59 -2.815 15.995 -3.471 1.00 0.00 C ATOM 883 O SER A 59 -2.770 14.766 -3.525 1.00 0.00 O ATOM 884 CB SER A 59 -1.856 17.467 -5.252 1.00 0.00 C ATOM 885 OG SER A 59 -0.628 17.714 -5.915 1.00 0.00 O ATOM 0 H SER A 59 -0.510 15.098 -4.119 1.00 0.00 H new ATOM 0 HA SER A 59 -1.518 17.661 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.467 16.792 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.413 18.399 -5.153 1.00 0.00 H new ATOM 0 HG SER A 59 -0.805 18.102 -6.798 1.00 0.00 H new ATOM 891 N PRO A 60 -3.910 16.653 -3.062 1.00 0.00 N ATOM 892 CA PRO A 60 -5.138 15.966 -2.648 1.00 0.00 C ATOM 893 C PRO A 60 -5.564 14.892 -3.642 1.00 0.00 C ATOM 894 O PRO A 60 -6.368 14.018 -3.319 1.00 0.00 O ATOM 895 CB PRO A 60 -6.174 17.092 -2.599 1.00 0.00 C ATOM 896 CG PRO A 60 -5.380 18.327 -2.349 1.00 0.00 C ATOM 897 CD PRO A 60 -4.035 18.117 -2.973 1.00 0.00 C ATOM 0 HA PRO A 60 -5.013 15.442 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.729 17.161 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.904 16.924 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.874 19.197 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.284 18.514 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.974 18.584 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.241 18.549 -2.365 1.00 0.00 H new ATOM 905 N ALA A 61 -5.021 14.963 -4.853 1.00 0.00 N ATOM 906 CA ALA A 61 -5.344 13.995 -5.894 1.00 0.00 C ATOM 907 C ALA A 61 -4.199 13.009 -6.101 1.00 0.00 C ATOM 908 O ALA A 61 -4.399 11.906 -6.609 1.00 0.00 O ATOM 909 CB ALA A 61 -5.671 14.709 -7.196 1.00 0.00 C ATOM 0 H ALA A 61 -4.355 15.681 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.220 13.432 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.910 13.974 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.527 15.367 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.811 15.299 -7.514 1.00 0.00 H new ATOM 915 N LYS A 62 -2.997 13.415 -5.706 1.00 0.00 N ATOM 916 CA LYS A 62 -1.818 12.568 -5.848 1.00 0.00 C ATOM 917 C LYS A 62 -1.141 12.347 -4.499 1.00 0.00 C ATOM 918 O LYS A 62 -0.579 13.275 -3.917 1.00 0.00 O ATOM 919 CB LYS A 62 -0.828 13.197 -6.830 1.00 0.00 C ATOM 920 CG LYS A 62 -1.329 13.226 -8.264 1.00 0.00 C ATOM 921 CD LYS A 62 -0.182 13.135 -9.257 1.00 0.00 C ATOM 922 CE LYS A 62 -0.645 12.573 -10.592 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.167 13.638 -11.492 1.00 0.00 N ATOM 0 H LYS A 62 -2.813 14.326 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.141 11.602 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.609 14.216 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.110 12.643 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.019 12.398 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.889 14.145 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.250 14.124 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.606 12.502 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.186 12.062 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.422 11.828 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.472 13.214 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.976 14.109 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.418 14.336 -11.675 1.00 0.00 H new ATOM 937 N ILE A 63 -1.198 11.113 -4.008 1.00 0.00 N ATOM 938 CA ILE A 63 -0.588 10.772 -2.729 1.00 0.00 C ATOM 939 C ILE A 63 0.238 9.494 -2.838 1.00 0.00 C ATOM 940 O ILE A 63 -0.308 8.397 -2.955 1.00 0.00 O ATOM 941 CB ILE A 63 -1.651 10.590 -1.630 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.756 11.637 -1.780 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.009 10.683 -0.253 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.363 13.008 -1.274 1.00 0.00 C ATOM 0 H ILE A 63 -1.660 10.334 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 63 0.065 11.602 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.097 9.601 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.033 11.713 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.641 11.299 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.772 10.553 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.254 9.903 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.540 11.660 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.195 13.699 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.114 12.947 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.497 13.367 -1.830 1.00 0.00 H new ATOM 956 N HIS A 64 1.558 9.645 -2.798 1.00 0.00 N ATOM 957 CA HIS A 64 2.461 8.503 -2.889 1.00 0.00 C ATOM 958 C HIS A 64 2.404 7.662 -1.617 1.00 0.00 C ATOM 959 O HIS A 64 2.640 8.163 -0.518 1.00 0.00 O ATOM 960 CB HIS A 64 3.893 8.976 -3.137 1.00 0.00 C ATOM 961 CG HIS A 64 4.043 9.808 -4.374 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.950 9.517 -5.371 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.394 10.927 -4.772 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.853 10.423 -6.328 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.916 11.289 -5.989 1.00 0.00 N ATOM 0 H HIS A 64 2.026 10.546 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 64 2.140 7.885 -3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.230 9.554 -2.277 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.546 8.107 -3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.611 11.440 -4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.441 10.450 -7.234 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.627 12.096 -6.542 1.00 0.00 H new ATOM 973 N VAL A 65 2.087 6.380 -1.775 1.00 0.00 N ATOM 974 CA VAL A 65 1.999 5.469 -0.640 1.00 0.00 C ATOM 975 C VAL A 65 2.604 4.111 -0.977 1.00 0.00 C ATOM 976 O VAL A 65 2.910 3.826 -2.135 1.00 0.00 O ATOM 977 CB VAL A 65 0.539 5.272 -0.191 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.049 6.488 0.580 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.354 4.995 -1.390 1.00 0.00 C ATOM 0 H VAL A 65 1.887 5.950 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 65 2.564 5.922 0.175 1.00 0.00 H new ATOM 0 HB VAL A 65 0.494 4.409 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.984 6.331 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.673 6.636 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.107 7.370 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.382 4.858 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.307 5.837 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.014 4.091 -1.896 1.00 0.00 H new ATOM 989 N PHE A 66 2.773 3.275 0.043 1.00 0.00 N ATOM 990 CA PHE A 66 3.342 1.946 -0.145 1.00 0.00 C ATOM 991 C PHE A 66 2.578 0.907 0.671 1.00 0.00 C ATOM 992 O PHE A 66 2.512 0.992 1.898 1.00 0.00 O ATOM 993 CB PHE A 66 4.819 1.939 0.254 1.00 0.00 C ATOM 994 CG PHE A 66 5.361 0.564 0.524 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.853 -0.216 -0.509 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.377 0.053 1.812 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.351 -1.482 -0.263 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.875 -1.212 2.064 1.00 0.00 C ATOM 999 CZ PHE A 66 6.363 -1.980 1.025 1.00 0.00 C ATOM 0 H PHE A 66 2.524 3.495 1.007 1.00 0.00 H new ATOM 0 HA PHE A 66 3.257 1.688 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.404 2.402 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.949 2.554 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.848 0.169 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.996 0.649 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.730 -2.081 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.882 -1.599 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.753 -2.968 1.219 1.00 0.00 H new ATOM 1009 N TYR A 67 2.002 -0.071 -0.018 1.00 0.00 N ATOM 1010 CA TYR A 67 1.240 -1.125 0.642 1.00 0.00 C ATOM 1011 C TYR A 67 2.147 -1.991 1.511 1.00 0.00 C ATOM 1012 O TYR A 67 2.967 -2.755 1.001 1.00 0.00 O ATOM 1013 CB TYR A 67 0.528 -1.994 -0.396 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.565 -1.268 -1.147 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.259 -0.340 -2.135 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.905 -1.509 -0.869 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.254 0.326 -2.823 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.907 -0.849 -1.552 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.577 0.069 -2.528 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.571 0.729 -3.212 1.00 0.00 O ATOM 0 H TYR A 67 2.048 -0.156 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 67 0.496 -0.653 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.262 -2.367 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.099 -2.863 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.775 -0.136 -2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.167 -2.226 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.998 1.044 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.943 -1.050 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.446 0.433 -2.884 1.00 0.00 H new ATOM 1030 N ILE A 68 1.992 -1.865 2.824 1.00 0.00 N ATOM 1031 CA ILE A 68 2.795 -2.637 3.765 1.00 0.00 C ATOM 1032 C ILE A 68 2.227 -4.040 3.950 1.00 0.00 C ATOM 1033 O ILE A 68 2.556 -4.731 4.915 1.00 0.00 O ATOM 1034 CB ILE A 68 2.877 -1.943 5.137 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.563 -2.118 5.901 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.204 -0.467 4.965 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.621 -1.616 7.326 1.00 0.00 C ATOM 0 H ILE A 68 1.318 -1.236 3.261 1.00 0.00 H new ATOM 0 HA ILE A 68 3.797 -2.706 3.342 1.00 0.00 H new ATOM 0 HB ILE A 68 3.676 -2.407 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.771 -1.590 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.294 -3.174 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.259 0.010 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.163 -0.364 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.425 0.011 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.655 -1.772 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.391 -2.161 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.859 -0.552 7.328 1.00 0.00 H new ATOM 1049 N ASP A 69 1.375 -4.455 3.020 1.00 0.00 N ATOM 1050 CA ASP A 69 0.763 -5.777 3.079 1.00 0.00 C ATOM 1051 C ASP A 69 1.277 -6.665 1.949 1.00 0.00 C ATOM 1052 O ASP A 69 1.533 -7.853 2.148 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.760 -5.662 3.000 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.319 -4.676 4.007 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.162 -4.916 5.222 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.914 -3.664 3.580 1.00 0.00 O ATOM 0 H ASP A 69 1.092 -3.895 2.216 1.00 0.00 H new ATOM 0 HA ASP A 69 1.036 -6.234 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.046 -5.352 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.205 -6.642 3.170 1.00 0.00 H new ATOM 1061 N TYR A 70 1.425 -6.081 0.766 1.00 0.00 N ATOM 1062 CA TYR A 70 1.905 -6.819 -0.396 1.00 0.00 C ATOM 1063 C TYR A 70 3.327 -6.400 -0.759 1.00 0.00 C ATOM 1064 O TYR A 70 4.145 -7.224 -1.165 1.00 0.00 O ATOM 1065 CB TYR A 70 0.975 -6.594 -1.590 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.466 -6.955 -1.311 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.241 -6.187 -0.451 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -1.053 -8.064 -1.908 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.559 -6.514 -0.193 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.370 -8.398 -1.657 1.00 0.00 C ATOM 1071 CZ TYR A 70 -3.118 -7.620 -0.798 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.430 -7.948 -0.544 1.00 0.00 O ATOM 0 H TYR A 70 1.219 -5.098 0.586 1.00 0.00 H new ATOM 0 HA TYR A 70 1.911 -7.879 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.027 -5.547 -1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.332 -7.184 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.806 -5.320 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.469 -8.676 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.148 -5.907 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.811 -9.263 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.986 -7.143 -0.603 1.00 0.00 H new ATOM 1082 N GLY A 71 3.614 -5.111 -0.608 1.00 0.00 N ATOM 1083 CA GLY A 71 4.936 -4.603 -0.922 1.00 0.00 C ATOM 1084 C GLY A 71 4.982 -3.897 -2.263 1.00 0.00 C ATOM 1085 O GLY A 71 5.918 -4.086 -3.039 1.00 0.00 O ATOM 0 H GLY A 71 2.954 -4.409 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.252 -3.912 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.648 -5.428 -0.925 1.00 0.00 H new ATOM 1089 N ASN A 72 3.968 -3.082 -2.536 1.00 0.00 N ATOM 1090 CA ASN A 72 3.896 -2.348 -3.794 1.00 0.00 C ATOM 1091 C ASN A 72 3.568 -0.878 -3.547 1.00 0.00 C ATOM 1092 O ASN A 72 2.936 -0.532 -2.549 1.00 0.00 O ATOM 1093 CB ASN A 72 2.843 -2.970 -4.713 1.00 0.00 C ATOM 1094 CG ASN A 72 1.434 -2.790 -4.182 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.094 -3.292 -3.110 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.606 -2.072 -4.932 1.00 0.00 N ATOM 0 H ASN A 72 3.186 -2.913 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 72 4.871 -2.409 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.916 -2.519 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.051 -4.033 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.355 -1.918 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.931 -1.675 -5.813 1.00 0.00 H new ATOM 1103 N ARG A 73 4.000 -0.019 -4.465 1.00 0.00 N ATOM 1104 CA ARG A 73 3.752 1.413 -4.347 1.00 0.00 C ATOM 1105 C ARG A 73 2.754 1.881 -5.402 1.00 0.00 C ATOM 1106 O ARG A 73 2.733 1.367 -6.520 1.00 0.00 O ATOM 1107 CB ARG A 73 5.062 2.192 -4.487 1.00 0.00 C ATOM 1108 CG ARG A 73 6.114 1.803 -3.462 1.00 0.00 C ATOM 1109 CD ARG A 73 7.468 2.409 -3.797 1.00 0.00 C ATOM 1110 NE ARG A 73 7.515 3.840 -3.508 1.00 0.00 N ATOM 1111 CZ ARG A 73 7.135 4.776 -4.370 1.00 0.00 C ATOM 1112 NH1 ARG A 73 6.683 4.434 -5.569 1.00 0.00 N ATOM 1113 NH2 ARG A 73 7.207 6.058 -4.034 1.00 0.00 N ATOM 0 H ARG A 73 4.523 -0.290 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 73 3.328 1.603 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.465 2.032 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.853 3.258 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.800 2.135 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.200 0.717 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.244 1.899 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.687 2.245 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 73 7.858 4.136 -2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.627 3.450 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.392 5.155 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.554 6.325 -3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.915 6.776 -4.697 1.00 0.00 H new ATOM 1127 N GLU A 74 1.929 2.857 -5.037 1.00 0.00 N ATOM 1128 CA GLU A 74 0.928 3.392 -5.952 1.00 0.00 C ATOM 1129 C GLU A 74 0.520 4.806 -5.546 1.00 0.00 C ATOM 1130 O GLU A 74 0.330 5.094 -4.364 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.303 2.484 -5.985 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.364 2.932 -6.976 1.00 0.00 C ATOM 1133 CD GLU A 74 -1.011 2.580 -8.408 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -1.338 1.454 -8.839 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.408 3.429 -9.097 1.00 0.00 O ATOM 0 H GLU A 74 1.934 3.293 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 74 1.368 3.431 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.010 1.470 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.742 2.445 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.316 2.470 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.500 4.010 -6.894 1.00 0.00 H new ATOM 1142 N VAL A 75 0.387 5.684 -6.535 1.00 0.00 N ATOM 1143 CA VAL A 75 0.002 7.067 -6.282 1.00 0.00 C ATOM 1144 C VAL A 75 -1.512 7.236 -6.345 1.00 0.00 C ATOM 1145 O VAL A 75 -2.091 7.341 -7.427 1.00 0.00 O ATOM 1146 CB VAL A 75 0.657 8.026 -7.293 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.222 9.460 -7.029 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.172 7.902 -7.240 1.00 0.00 C ATOM 0 H VAL A 75 0.540 5.462 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 75 0.351 7.314 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 75 0.327 7.750 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.695 10.123 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.861 9.535 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.520 9.751 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.619 8.587 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.523 8.150 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.462 6.880 -7.483 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.149 7.261 -5.180 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.597 7.418 -5.102 1.00 0.00 C ATOM 1160 C LEU A 76 -3.967 8.724 -4.407 1.00 0.00 C ATOM 1161 O LEU A 76 -3.222 9.247 -3.577 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.218 6.236 -4.355 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.748 4.847 -4.788 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.931 3.845 -3.658 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.499 4.394 -6.032 1.00 0.00 C ATOM 0 H LEU A 76 -1.685 7.175 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.990 7.445 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.009 6.353 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.300 6.285 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.686 4.902 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.591 2.862 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.348 4.162 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.985 3.792 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.152 3.404 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.567 4.355 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.317 5.098 -6.844 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.145 9.264 -4.749 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.642 10.515 -4.168 1.00 0.00 C ATOM 1179 C PRO A 77 -6.029 10.358 -2.701 1.00 0.00 C ATOM 1180 O PRO A 77 -6.039 9.250 -2.167 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.876 10.834 -5.015 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.330 9.514 -5.536 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.084 8.695 -5.731 1.00 0.00 C ATOM 0 HA PRO A 77 -4.885 11.300 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.653 11.312 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.632 11.518 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.009 9.030 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.871 9.630 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.266 7.636 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.702 8.780 -6.748 1.00 0.00 H new ATOM 1191 N SER A 78 -6.349 11.476 -2.056 1.00 0.00 N ATOM 1192 CA SER A 78 -6.733 11.463 -0.650 1.00 0.00 C ATOM 1193 C SER A 78 -8.125 10.863 -0.473 1.00 0.00 C ATOM 1194 O SER A 78 -8.594 10.671 0.650 1.00 0.00 O ATOM 1195 CB SER A 78 -6.700 12.881 -0.077 1.00 0.00 C ATOM 1196 OG SER A 78 -7.789 13.651 -0.557 1.00 0.00 O ATOM 0 H SER A 78 -6.350 12.401 -2.485 1.00 0.00 H new ATOM 0 HA SER A 78 -6.017 10.844 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.733 12.837 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.761 13.364 -0.348 1.00 0.00 H new ATOM 0 HG SER A 78 -7.617 13.918 -1.484 1.00 0.00 H new ATOM 1202 N THR A 79 -8.783 10.569 -1.590 1.00 0.00 N ATOM 1203 CA THR A 79 -10.121 9.993 -1.560 1.00 0.00 C ATOM 1204 C THR A 79 -10.072 8.507 -1.223 1.00 0.00 C ATOM 1205 O THR A 79 -10.873 8.014 -0.429 1.00 0.00 O ATOM 1206 CB THR A 79 -10.842 10.178 -2.909 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.132 9.489 -3.944 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.959 11.653 -3.262 1.00 0.00 C ATOM 0 H THR A 79 -8.410 10.721 -2.527 1.00 0.00 H new ATOM 0 HA THR A 79 -10.676 10.521 -0.784 1.00 0.00 H new ATOM 0 HB THR A 79 -11.845 9.761 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.598 9.611 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.471 11.759 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.527 12.169 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.963 12.090 -3.334 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.127 7.798 -1.831 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.974 6.367 -1.595 1.00 0.00 C ATOM 1218 C ARG A 80 -8.270 6.107 -0.267 1.00 0.00 C ATOM 1219 O ARG A 80 -8.118 4.959 0.154 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.187 5.721 -2.737 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.268 6.491 -4.045 1.00 0.00 C ATOM 1222 CD ARG A 80 -7.987 5.593 -5.239 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.638 6.076 -6.454 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.934 5.927 -6.702 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.714 5.311 -5.824 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.453 6.394 -7.830 1.00 0.00 N ATOM 0 H ARG A 80 -8.456 8.191 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.969 5.923 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.142 5.632 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.560 4.709 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.259 6.934 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.552 7.312 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.911 5.535 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.331 4.582 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.066 6.554 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.319 4.950 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.709 5.198 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.856 6.868 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.449 6.279 -8.019 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.841 7.180 0.389 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.152 7.068 1.670 1.00 0.00 C ATOM 1242 C LEU A 81 -8.099 7.374 2.826 1.00 0.00 C ATOM 1243 O LEU A 81 -8.922 8.285 2.744 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.954 8.020 1.712 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.906 7.827 0.616 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.920 8.985 0.611 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.176 6.504 0.802 1.00 0.00 C ATOM 0 H LEU A 81 -7.958 8.137 0.055 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.798 6.043 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.326 9.043 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.463 7.912 2.679 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.416 7.806 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.181 8.831 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.455 9.917 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.416 9.038 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.434 6.384 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.679 6.496 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.892 5.684 0.755 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.975 6.606 3.905 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.824 6.812 5.063 1.00 0.00 C ATOM 1261 C GLY A 82 -8.106 6.526 6.367 1.00 0.00 C ATOM 1262 O GLY A 82 -7.009 5.967 6.371 1.00 0.00 O ATOM 0 H GLY A 82 -7.302 5.845 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.183 7.841 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.701 6.169 4.986 1.00 0.00 H new ATOM 1266 N THR A 83 -8.724 6.912 7.479 1.00 0.00 N ATOM 1267 CA THR A 83 -8.136 6.698 8.795 1.00 0.00 C ATOM 1268 C THR A 83 -8.011 5.210 9.105 1.00 0.00 C ATOM 1269 O THR A 83 -8.999 4.476 9.082 1.00 0.00 O ATOM 1270 CB THR A 83 -8.970 7.372 9.900 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.323 8.702 9.504 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.199 7.415 11.210 1.00 0.00 C ATOM 0 H THR A 83 -9.633 7.375 7.494 1.00 0.00 H new ATOM 0 HA THR A 83 -7.143 7.148 8.775 1.00 0.00 H new ATOM 0 HB THR A 83 -9.876 6.785 10.050 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.855 9.124 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.809 7.896 11.975 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.957 6.399 11.523 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.278 7.981 11.072 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.791 4.772 9.395 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.536 3.371 9.711 1.00 0.00 C ATOM 1282 C LEU A 84 -6.891 3.067 11.163 1.00 0.00 C ATOM 1283 O LEU A 84 -6.289 3.613 12.087 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.068 3.028 9.450 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.555 1.742 10.098 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.266 0.530 9.517 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.049 1.617 9.916 1.00 0.00 C ATOM 0 H LEU A 84 -5.963 5.367 9.418 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.166 2.758 9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.919 2.953 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.454 3.858 9.800 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.770 1.786 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.887 -0.376 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.337 0.614 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.084 0.481 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.701 0.696 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.812 1.596 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.554 2.469 10.382 1.00 0.00 H new ATOM 1299 N SER A 85 -7.872 2.191 11.355 1.00 0.00 N ATOM 1300 CA SER A 85 -8.309 1.815 12.695 1.00 0.00 C ATOM 1301 C SER A 85 -7.185 1.120 13.458 1.00 0.00 C ATOM 1302 O SER A 85 -6.378 0.383 12.890 1.00 0.00 O ATOM 1303 CB SER A 85 -9.531 0.898 12.617 1.00 0.00 C ATOM 1304 OG SER A 85 -9.897 0.427 13.903 1.00 0.00 O ATOM 0 H SER A 85 -8.379 1.729 10.600 1.00 0.00 H new ATOM 0 HA SER A 85 -8.580 2.725 13.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.367 1.438 12.172 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.314 0.052 11.964 1.00 0.00 H new ATOM 0 HG SER A 85 -10.681 -0.156 13.827 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.129 1.360 14.776 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.109 0.767 15.646 1.00 0.00 C ATOM 1312 C PRO A 86 -6.304 -0.734 15.829 1.00 0.00 C ATOM 1313 O PRO A 86 -5.398 -1.438 16.272 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.309 1.498 16.976 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.733 1.935 16.958 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.058 2.229 15.519 1.00 0.00 C ATOM 0 HA PRO A 86 -5.107 0.875 15.231 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.107 0.842 17.823 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.635 2.350 17.065 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.385 1.157 17.354 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.878 2.819 17.579 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.098 1.998 15.286 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.904 3.281 15.279 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.493 -1.218 15.484 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.806 -2.636 15.607 1.00 0.00 C ATOM 1326 C ALA A 87 -7.276 -3.421 14.412 1.00 0.00 C ATOM 1327 O ALA A 87 -6.929 -4.596 14.533 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.308 -2.835 15.748 1.00 0.00 C ATOM 0 H ALA A 87 -8.255 -0.648 15.117 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.315 -3.015 16.503 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.527 -3.899 15.839 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.662 -2.314 16.638 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.812 -2.435 14.868 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.217 -2.765 13.258 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.731 -3.402 12.040 1.00 0.00 C ATOM 1336 C PHE A 88 -5.338 -2.896 11.680 1.00 0.00 C ATOM 1337 O PHE A 88 -4.691 -3.418 10.772 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.696 -3.141 10.882 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.138 -3.364 11.241 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.546 -4.557 11.814 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.084 -2.380 11.005 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.872 -4.765 12.146 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.411 -2.582 11.335 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.805 -3.777 11.905 1.00 0.00 C ATOM 0 H PHE A 88 -7.500 -1.792 13.141 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.673 -4.475 12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.570 -2.114 10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.433 -3.791 10.047 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.820 -5.334 12.004 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.781 -1.445 10.558 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.177 -5.699 12.593 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.139 -1.806 11.147 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.842 -3.938 12.162 1.00 0.00 H new ATOM 1354 N SER A 89 -4.882 -1.875 12.398 1.00 0.00 N ATOM 1355 CA SER A 89 -3.567 -1.293 12.152 1.00 0.00 C ATOM 1356 C SER A 89 -2.473 -2.349 12.284 1.00 0.00 C ATOM 1357 O SER A 89 -2.541 -3.226 13.146 1.00 0.00 O ATOM 1358 CB SER A 89 -3.304 -0.144 13.127 1.00 0.00 C ATOM 1359 OG SER A 89 -3.170 -0.622 14.454 1.00 0.00 O ATOM 0 H SER A 89 -5.404 -1.433 13.155 1.00 0.00 H new ATOM 0 HA SER A 89 -3.553 -0.905 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.397 0.385 12.834 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.122 0.574 13.077 1.00 0.00 H new ATOM 0 HG SER A 89 -3.819 -1.340 14.610 1.00 0.00 H new ATOM 1365 N THR A 90 -1.464 -2.258 11.423 1.00 0.00 N ATOM 1366 CA THR A 90 -0.356 -3.204 11.442 1.00 0.00 C ATOM 1367 C THR A 90 0.134 -3.449 12.864 1.00 0.00 C ATOM 1368 O THR A 90 0.766 -4.467 13.146 1.00 0.00 O ATOM 1369 CB THR A 90 0.822 -2.706 10.584 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.847 -3.704 10.531 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.394 -1.414 11.148 1.00 0.00 C ATOM 0 H THR A 90 -1.392 -1.538 10.704 1.00 0.00 H new ATOM 0 HA THR A 90 -0.731 -4.138 11.024 1.00 0.00 H new ATOM 0 HB THR A 90 0.452 -2.512 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.437 -4.594 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.225 -1.082 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.619 -0.647 11.159 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.748 -1.586 12.164 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.161 -2.509 13.757 1.00 0.00 N ATOM 1380 CA ARG A 91 0.251 -2.624 15.151 1.00 0.00 C ATOM 1381 C ARG A 91 -0.035 -4.023 15.689 1.00 0.00 C ATOM 1382 O ARG A 91 0.624 -4.488 16.619 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.471 -1.580 16.005 1.00 0.00 C ATOM 1384 CG ARG A 91 0.016 -0.159 15.772 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.780 0.844 16.591 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.223 1.023 17.929 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.864 1.639 18.916 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -2.079 2.132 18.716 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -0.291 1.763 20.106 1.00 0.00 N ATOM 0 H ARG A 91 -0.683 -1.660 13.540 1.00 0.00 H new ATOM 0 HA ARG A 91 1.325 -2.447 15.203 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.540 -1.628 15.795 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.341 -1.831 17.058 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.072 -0.088 16.034 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.067 0.086 14.713 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.796 1.803 16.074 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.814 0.508 16.671 1.00 0.00 H new ATOM 0 HE ARG A 91 0.710 0.655 18.116 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.523 2.039 17.803 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.569 2.605 19.476 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.643 1.385 20.264 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.785 2.236 20.863 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.021 -4.689 15.097 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.394 -6.035 15.516 1.00 0.00 C ATOM 1405 C VAL A 92 -0.722 -7.088 14.643 1.00 0.00 C ATOM 1406 O VAL A 92 -0.293 -8.134 15.132 1.00 0.00 O ATOM 1407 CB VAL A 92 -2.920 -6.237 15.463 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.309 -7.549 16.128 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.635 -5.065 16.118 1.00 0.00 C ATOM 0 H VAL A 92 -1.576 -4.318 14.326 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.056 -6.151 16.546 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.227 -6.283 14.418 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.391 -7.674 16.081 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.825 -8.377 15.610 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.990 -7.537 17.170 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.712 -5.224 16.072 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.324 -4.985 17.160 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.381 -4.144 15.593 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.632 -6.805 13.348 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.011 -7.728 12.405 1.00 0.00 C ATOM 1421 C LEU A 93 1.166 -7.070 11.693 1.00 0.00 C ATOM 1422 O LEU A 93 1.100 -5.916 11.268 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.039 -8.207 11.378 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.700 -9.505 10.644 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.739 -10.686 11.602 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.657 -9.727 9.482 1.00 0.00 C ATOM 0 H LEU A 93 -0.981 -5.944 12.927 1.00 0.00 H new ATOM 0 HA LEU A 93 0.361 -8.585 12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.995 -8.339 11.885 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.177 -7.419 10.637 1.00 0.00 H new ATOM 0 HG LEU A 93 0.311 -9.420 10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.495 -11.601 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.013 -10.531 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.737 -10.773 12.032 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.400 -10.655 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.678 -9.790 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.579 -8.895 8.782 1.00 0.00 H new ATOM 1438 N PRO A 94 2.271 -7.819 11.558 1.00 0.00 N ATOM 1439 CA PRO A 94 3.483 -7.329 10.896 1.00 0.00 C ATOM 1440 C PRO A 94 3.295 -7.161 9.392 1.00 0.00 C ATOM 1441 O PRO A 94 2.626 -7.968 8.747 1.00 0.00 O ATOM 1442 CB PRO A 94 4.513 -8.423 11.187 1.00 0.00 C ATOM 1443 CG PRO A 94 3.705 -9.656 11.404 1.00 0.00 C ATOM 1444 CD PRO A 94 2.421 -9.202 12.041 1.00 0.00 C ATOM 0 HA PRO A 94 3.774 -6.343 11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.206 -8.545 10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.110 -8.181 12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.513 -10.168 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.232 -10.360 12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.580 -9.826 11.739 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.475 -9.244 13.129 1.00 0.00 H new ATOM 1452 N ALA A 95 3.889 -6.108 8.840 1.00 0.00 N ATOM 1453 CA ALA A 95 3.788 -5.836 7.411 1.00 0.00 C ATOM 1454 C ALA A 95 4.317 -7.008 6.591 1.00 0.00 C ATOM 1455 O ALA A 95 5.517 -7.279 6.582 1.00 0.00 O ATOM 1456 CB ALA A 95 4.543 -4.562 7.062 1.00 0.00 C ATOM 0 H ALA A 95 4.445 -5.429 9.360 1.00 0.00 H new ATOM 0 HA ALA A 95 2.735 -5.700 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.459 -4.371 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.118 -3.724 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.594 -4.677 7.329 1.00 0.00 H new ATOM 1462 N GLN A 96 3.413 -7.699 5.905 1.00 0.00 N ATOM 1463 CA GLN A 96 3.789 -8.843 5.082 1.00 0.00 C ATOM 1464 C GLN A 96 4.488 -8.389 3.805 1.00 0.00 C ATOM 1465 O GLN A 96 5.053 -9.201 3.073 1.00 0.00 O ATOM 1466 CB GLN A 96 2.554 -9.676 4.733 1.00 0.00 C ATOM 1467 CG GLN A 96 1.735 -10.087 5.946 1.00 0.00 C ATOM 1468 CD GLN A 96 2.478 -11.047 6.854 1.00 0.00 C ATOM 1469 OE1 GLN A 96 2.895 -12.125 6.428 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.648 -10.661 8.113 1.00 0.00 N ATOM 0 H GLN A 96 2.415 -7.487 5.902 1.00 0.00 H new ATOM 0 HA GLN A 96 4.483 -9.458 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.921 -9.105 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.869 -10.571 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.460 -9.197 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.808 -10.552 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.286 -9.759 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.141 -11.266 8.770 1.00 0.00 H new ATOM 1479 N ALA A 97 4.446 -7.086 3.545 1.00 0.00 N ATOM 1480 CA ALA A 97 5.077 -6.524 2.357 1.00 0.00 C ATOM 1481 C ALA A 97 6.565 -6.856 2.316 1.00 0.00 C ATOM 1482 O ALA A 97 7.224 -6.930 3.354 1.00 0.00 O ATOM 1483 CB ALA A 97 4.869 -5.018 2.312 1.00 0.00 C ATOM 0 H ALA A 97 3.982 -6.400 4.141 1.00 0.00 H new ATOM 0 HA ALA A 97 4.608 -6.971 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.345 -4.611 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.802 -4.799 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.311 -4.563 3.198 1.00 0.00 H new