USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 620 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 72 ASN : amide:sc= 0.409 K(o=0.41,f=-4.3!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -17:sc= 0.259 USER MOD Single : A 12 SER OG : rot 16:sc= 0.062 USER MOD Single : A 17 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 45 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-5.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -107:sc= 1.52 USER MOD Single : A 59 CYS SG : rot 117:sc= 0.0521 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0.962 (180deg=0.862) USER MOD Single : A 74 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.8!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -146:sc= -0.594 (180deg=-1.49) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc=-0.000569 (180deg=-0.122) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.377 -11.265 -8.639 1.00 0.00 N ATOM 114 CA THR A 11 -8.668 -10.115 -8.090 1.00 0.00 C ATOM 115 C THR A 11 -9.365 -8.821 -8.532 1.00 0.00 C ATOM 116 O THR A 11 -10.136 -8.838 -9.488 1.00 0.00 O ATOM 117 CB THR A 11 -7.182 -10.181 -8.509 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.990 -10.611 -9.851 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.421 -11.196 -7.652 1.00 0.00 C ATOM 0 HA THR A 11 -8.693 -10.129 -7.000 1.00 0.00 H new ATOM 0 HB THR A 11 -6.818 -9.161 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.806 -11.047 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.377 -11.226 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.478 -10.902 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.865 -12.183 -7.777 1.00 0.00 H new ATOM 127 N SER A 12 -9.078 -7.694 -7.883 1.00 0.00 N ATOM 128 CA SER A 12 -9.511 -6.368 -8.301 1.00 0.00 C ATOM 129 C SER A 12 -8.378 -5.373 -8.057 1.00 0.00 C ATOM 130 O SER A 12 -7.417 -5.669 -7.339 1.00 0.00 O ATOM 131 CB SER A 12 -10.771 -5.978 -7.527 1.00 0.00 C ATOM 132 OG SER A 12 -11.907 -6.623 -8.055 1.00 0.00 O ATOM 0 H SER A 12 -8.522 -7.681 -7.028 1.00 0.00 H new ATOM 0 HA SER A 12 -9.751 -6.363 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.653 -6.243 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.909 -4.898 -7.570 1.00 0.00 H new ATOM 0 HG SER A 12 -11.624 -7.361 -8.634 1.00 0.00 H new ATOM 138 N ASP A 13 -8.480 -4.192 -8.661 1.00 0.00 N ATOM 139 CA ASP A 13 -7.488 -3.126 -8.702 1.00 0.00 C ATOM 140 C ASP A 13 -8.148 -1.821 -8.275 1.00 0.00 C ATOM 141 O ASP A 13 -8.743 -1.100 -9.076 1.00 0.00 O ATOM 142 CB ASP A 13 -6.866 -3.009 -10.109 1.00 0.00 C ATOM 143 CG ASP A 13 -7.848 -2.872 -11.282 1.00 0.00 C ATOM 144 OD1 ASP A 13 -9.072 -3.087 -11.131 1.00 0.00 O ATOM 145 OD2 ASP A 13 -7.357 -2.635 -12.410 1.00 0.00 O ATOM 0 H ASP A 13 -9.324 -3.938 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.676 -3.355 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.201 -2.145 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.247 -3.889 -10.283 1.00 0.00 H new ATOM 150 N VAL A 14 -8.029 -1.506 -6.989 1.00 0.00 N ATOM 151 CA VAL A 14 -8.535 -0.265 -6.427 1.00 0.00 C ATOM 152 C VAL A 14 -7.393 0.743 -6.526 1.00 0.00 C ATOM 153 O VAL A 14 -6.409 0.619 -5.790 1.00 0.00 O ATOM 154 CB VAL A 14 -9.000 -0.484 -4.973 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.693 0.769 -4.427 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.945 -1.691 -4.834 1.00 0.00 C ATOM 0 H VAL A 14 -7.575 -2.111 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.408 0.103 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.102 -0.690 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.012 0.590 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.998 1.608 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.563 1.001 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.243 -1.802 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.830 -1.533 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.432 -2.595 -5.162 1.00 0.00 H new ATOM 166 N VAL A 15 -7.491 1.705 -7.440 1.00 0.00 N ATOM 167 CA VAL A 15 -6.624 2.872 -7.433 1.00 0.00 C ATOM 168 C VAL A 15 -7.254 3.898 -6.496 1.00 0.00 C ATOM 169 O VAL A 15 -8.478 4.043 -6.447 1.00 0.00 O ATOM 170 CB VAL A 15 -6.409 3.454 -8.845 1.00 0.00 C ATOM 171 CG1 VAL A 15 -5.151 4.339 -8.851 1.00 0.00 C ATOM 172 CG2 VAL A 15 -6.215 2.363 -9.904 1.00 0.00 C ATOM 0 H VAL A 15 -8.171 1.695 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.631 2.590 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.304 4.025 -9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.000 4.750 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.276 5.154 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.284 3.741 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.068 2.825 -10.880 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.341 1.762 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.098 1.725 -9.935 1.00 0.00 H new ATOM 182 N ILE A 16 -6.428 4.627 -5.746 1.00 0.00 N ATOM 183 CA ILE A 16 -6.884 5.723 -4.903 1.00 0.00 C ATOM 184 C ILE A 16 -5.886 6.861 -5.076 1.00 0.00 C ATOM 185 O ILE A 16 -4.679 6.637 -4.983 1.00 0.00 O ATOM 186 CB ILE A 16 -7.037 5.289 -3.426 1.00 0.00 C ATOM 187 CG1 ILE A 16 -7.845 3.982 -3.249 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.732 6.435 -2.669 1.00 0.00 C ATOM 189 CD1 ILE A 16 -7.787 3.397 -1.837 1.00 0.00 C ATOM 0 H ILE A 16 -5.421 4.470 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.879 6.051 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.042 5.084 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.886 4.173 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.472 3.239 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.854 6.158 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.124 7.337 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.710 6.622 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.379 2.483 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.752 3.171 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.188 4.120 -1.127 1.00 0.00 H new ATOM 201 N HIS A 17 -6.399 8.074 -5.307 1.00 0.00 N ATOM 202 CA HIS A 17 -5.633 9.281 -5.603 1.00 0.00 C ATOM 203 C HIS A 17 -5.821 10.296 -4.463 1.00 0.00 C ATOM 204 O HIS A 17 -6.944 10.417 -3.958 1.00 0.00 O ATOM 205 CB HIS A 17 -6.098 9.855 -6.952 1.00 0.00 C ATOM 206 CG HIS A 17 -5.958 8.893 -8.113 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.934 8.874 -9.037 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.855 7.920 -8.473 1.00 0.00 C ATOM 209 CE1 HIS A 17 -5.203 7.897 -9.923 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.368 7.300 -9.624 1.00 0.00 N ATOM 0 H HIS A 17 -7.404 8.245 -5.291 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.570 9.050 -5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.142 10.155 -6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.524 10.756 -7.169 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.773 7.677 -7.958 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.571 7.631 -10.757 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.812 6.540 -10.139 1.00 0.00 H new ATOM 218 N ARG A 18 -4.779 11.038 -4.061 1.00 0.00 N ATOM 219 CA ARG A 18 -4.848 12.073 -3.016 1.00 0.00 C ATOM 220 C ARG A 18 -4.006 13.294 -3.413 1.00 0.00 C ATOM 221 O ARG A 18 -3.586 13.381 -4.563 1.00 0.00 O ATOM 222 CB ARG A 18 -4.470 11.483 -1.652 1.00 0.00 C ATOM 223 CG ARG A 18 -3.025 10.978 -1.572 1.00 0.00 C ATOM 224 CD ARG A 18 -2.646 10.604 -0.144 1.00 0.00 C ATOM 225 NE ARG A 18 -1.252 10.149 -0.048 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.522 10.066 1.069 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.950 10.619 2.203 1.00 0.00 N ATOM 228 NH2 ARG A 18 0.623 9.399 1.031 1.00 0.00 N ATOM 0 H ARG A 18 -3.846 10.934 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.874 12.429 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.622 12.242 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.146 10.659 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.904 10.111 -2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.348 11.749 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.792 11.465 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.310 9.817 0.214 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.798 9.870 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.843 11.112 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.385 10.550 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.930 8.962 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.197 9.322 1.871 1.00 0.00 H new ATOM 242 N LYS A 19 -3.769 14.249 -2.507 1.00 0.00 N ATOM 243 CA LYS A 19 -2.792 15.326 -2.672 1.00 0.00 C ATOM 244 C LYS A 19 -1.746 15.239 -1.560 1.00 0.00 C ATOM 245 O LYS A 19 -1.933 14.495 -0.595 1.00 0.00 O ATOM 246 CB LYS A 19 -3.467 16.699 -2.707 1.00 0.00 C ATOM 247 CG LYS A 19 -4.361 16.900 -3.942 1.00 0.00 C ATOM 248 CD LYS A 19 -5.825 16.547 -3.678 1.00 0.00 C ATOM 249 CE LYS A 19 -6.309 15.219 -4.279 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.724 15.305 -4.701 1.00 0.00 N ATOM 0 H LYS A 19 -4.265 14.294 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.293 15.203 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.068 16.825 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.701 17.474 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.295 17.938 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.986 16.285 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.983 16.516 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.449 17.350 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.687 14.957 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.194 14.422 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.022 14.393 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.318 15.532 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.827 16.050 -5.419 1.00 0.00 H new ATOM 264 N GLU A 20 -0.649 15.995 -1.661 1.00 0.00 N ATOM 265 CA GLU A 20 0.420 15.913 -0.660 1.00 0.00 C ATOM 266 C GLU A 20 0.024 16.492 0.704 1.00 0.00 C ATOM 267 O GLU A 20 0.679 16.223 1.706 1.00 0.00 O ATOM 268 CB GLU A 20 1.734 16.547 -1.158 1.00 0.00 C ATOM 269 CG GLU A 20 2.634 15.658 -2.032 1.00 0.00 C ATOM 270 CD GLU A 20 3.184 14.385 -1.349 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.413 13.594 -0.763 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.408 14.120 -1.433 1.00 0.00 O ATOM 0 H GLU A 20 -0.478 16.662 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 20 0.590 14.846 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.487 17.445 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.310 16.867 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.070 15.359 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.477 16.255 -2.379 1.00 0.00 H new ATOM 279 N ASN A 21 -1.052 17.272 0.765 1.00 0.00 N ATOM 280 CA ASN A 21 -1.535 17.875 2.008 1.00 0.00 C ATOM 281 C ASN A 21 -2.435 16.934 2.817 1.00 0.00 C ATOM 282 O ASN A 21 -2.813 17.297 3.931 1.00 0.00 O ATOM 283 CB ASN A 21 -2.287 19.182 1.700 1.00 0.00 C ATOM 284 CG ASN A 21 -1.374 20.406 1.651 1.00 0.00 C ATOM 285 OD1 ASN A 21 -0.169 20.296 1.435 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.917 21.598 1.830 1.00 0.00 N ATOM 0 H ASN A 21 -1.618 17.506 -0.051 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.658 18.083 2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.800 19.081 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.054 19.339 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.335 22.435 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.918 21.681 2.009 1.00 0.00 H new ATOM 293 N GLU A 22 -2.810 15.766 2.292 1.00 0.00 N ATOM 294 CA GLU A 22 -3.881 14.936 2.847 1.00 0.00 C ATOM 295 C GLU A 22 -3.483 13.455 2.882 1.00 0.00 C ATOM 296 O GLU A 22 -2.423 13.061 2.388 1.00 0.00 O ATOM 297 CB GLU A 22 -5.187 15.183 2.062 1.00 0.00 C ATOM 298 CG GLU A 22 -5.031 14.942 0.560 1.00 0.00 C ATOM 299 CD GLU A 22 -6.335 14.950 -0.238 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.165 15.859 -0.021 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.431 14.213 -1.248 1.00 0.00 O ATOM 0 H GLU A 22 -2.374 15.366 1.461 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.055 15.222 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.968 14.530 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.517 16.208 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.369 15.706 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.538 13.981 0.411 1.00 0.00 H new ATOM 308 N GLY A 23 -4.317 12.627 3.512 1.00 0.00 N ATOM 309 CA GLY A 23 -4.001 11.237 3.813 1.00 0.00 C ATOM 310 C GLY A 23 -4.527 10.291 2.745 1.00 0.00 C ATOM 311 O GLY A 23 -5.390 10.654 1.944 1.00 0.00 O ATOM 0 H GLY A 23 -5.244 12.911 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.921 11.121 3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.429 10.968 4.779 1.00 0.00 H new ATOM 315 N PHE A 24 -4.059 9.043 2.774 1.00 0.00 N ATOM 316 CA PHE A 24 -4.856 7.930 2.313 1.00 0.00 C ATOM 317 C PHE A 24 -5.662 7.508 3.531 1.00 0.00 C ATOM 318 O PHE A 24 -5.081 7.115 4.546 1.00 0.00 O ATOM 319 CB PHE A 24 -3.994 6.768 1.831 1.00 0.00 C ATOM 320 CG PHE A 24 -3.199 6.994 0.567 1.00 0.00 C ATOM 321 CD1 PHE A 24 -3.860 7.333 -0.629 1.00 0.00 C ATOM 322 CD2 PHE A 24 -1.806 6.795 0.567 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.126 7.477 -1.815 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.079 6.915 -0.628 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.740 7.252 -1.819 1.00 0.00 C ATOM 0 H PHE A 24 -3.132 8.788 3.113 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.476 8.214 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.299 6.506 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.641 5.905 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.930 7.482 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.296 6.550 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.628 7.762 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.012 6.748 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.182 7.338 -2.740 1.00 0.00 H new ATOM 335 N GLY A 25 -6.981 7.633 3.480 1.00 0.00 N ATOM 336 CA GLY A 25 -7.824 7.496 4.656 1.00 0.00 C ATOM 337 C GLY A 25 -8.338 6.077 4.846 1.00 0.00 C ATOM 338 O GLY A 25 -9.531 5.912 5.066 1.00 0.00 O ATOM 0 H GLY A 25 -7.495 7.832 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.260 7.795 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.671 8.177 4.573 1.00 0.00 H new ATOM 342 N PHE A 26 -7.473 5.067 4.773 1.00 0.00 N ATOM 343 CA PHE A 26 -7.796 3.673 5.058 1.00 0.00 C ATOM 344 C PHE A 26 -6.818 3.114 6.085 1.00 0.00 C ATOM 345 O PHE A 26 -5.753 3.692 6.308 1.00 0.00 O ATOM 346 CB PHE A 26 -7.842 2.847 3.764 1.00 0.00 C ATOM 347 CG PHE A 26 -6.506 2.541 3.102 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.809 3.534 2.382 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.979 1.237 3.163 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.611 3.208 1.715 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.787 0.916 2.494 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.098 1.904 1.773 1.00 0.00 C ATOM 0 H PHE A 26 -6.498 5.202 4.505 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.793 3.612 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.339 1.901 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.465 3.377 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.193 4.543 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.496 0.477 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.085 3.967 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.400 -0.091 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.176 1.661 1.265 1.00 0.00 H new ATOM 362 N VAL A 27 -7.217 2.025 6.739 1.00 0.00 N ATOM 363 CA VAL A 27 -6.478 1.316 7.769 1.00 0.00 C ATOM 364 C VAL A 27 -6.658 -0.167 7.502 1.00 0.00 C ATOM 365 O VAL A 27 -7.766 -0.611 7.185 1.00 0.00 O ATOM 366 CB VAL A 27 -7.013 1.693 9.169 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.840 0.623 10.259 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.347 2.973 9.667 1.00 0.00 C ATOM 0 H VAL A 27 -8.121 1.592 6.549 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.421 1.582 7.746 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.085 1.815 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.249 0.992 11.199 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.367 -0.285 9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.780 0.402 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.735 3.225 10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.269 2.822 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.561 3.787 8.975 1.00 0.00 H new ATOM 378 N ILE A 28 -5.590 -0.926 7.709 1.00 0.00 N ATOM 379 CA ILE A 28 -5.532 -2.363 7.562 1.00 0.00 C ATOM 380 C ILE A 28 -5.497 -2.977 8.967 1.00 0.00 C ATOM 381 O ILE A 28 -4.748 -2.499 9.830 1.00 0.00 O ATOM 382 CB ILE A 28 -4.283 -2.729 6.733 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.209 -2.002 5.366 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.260 -4.237 6.475 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.643 -0.577 5.423 1.00 0.00 C ATOM 0 H ILE A 28 -4.697 -0.528 7.999 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.402 -2.754 7.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.425 -2.408 7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.595 -2.595 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.210 -1.963 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.377 -4.493 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.231 -4.768 7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.156 -4.526 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.630 -0.150 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.268 0.037 6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.628 -0.604 5.819 1.00 0.00 H new ATOM 397 N ILE A 29 -6.274 -4.034 9.203 1.00 0.00 N ATOM 398 CA ILE A 29 -6.308 -4.794 10.437 1.00 0.00 C ATOM 399 C ILE A 29 -6.079 -6.281 10.152 1.00 0.00 C ATOM 400 O ILE A 29 -5.922 -6.681 8.995 1.00 0.00 O ATOM 401 CB ILE A 29 -7.634 -4.538 11.176 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.890 -5.145 10.512 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.824 -3.041 11.444 1.00 0.00 C ATOM 404 CD1 ILE A 29 -10.025 -5.277 11.538 1.00 0.00 C ATOM 0 H ILE A 29 -6.923 -4.394 8.503 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.500 -4.465 11.091 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.537 -5.074 12.120 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.212 -4.515 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.652 -6.124 10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.767 -2.882 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.002 -2.674 12.058 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.838 -2.501 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.903 -5.706 11.056 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.705 -5.926 12.353 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.273 -4.293 11.934 1.00 0.00 H new ATOM 616 N PRO A 44 -4.411 -12.178 6.774 1.00 0.00 N ATOM 617 CA PRO A 44 -3.537 -11.297 7.530 1.00 0.00 C ATOM 618 C PRO A 44 -3.946 -9.833 7.382 1.00 0.00 C ATOM 619 O PRO A 44 -3.691 -9.061 8.299 1.00 0.00 O ATOM 620 CB PRO A 44 -2.126 -11.516 6.979 1.00 0.00 C ATOM 621 CG PRO A 44 -2.392 -11.929 5.534 1.00 0.00 C ATOM 622 CD PRO A 44 -3.710 -12.707 5.613 1.00 0.00 C ATOM 0 HA PRO A 44 -3.594 -11.525 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.523 -10.610 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.592 -12.290 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.478 -11.062 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.586 -12.547 5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.299 -12.573 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.528 -13.776 5.719 1.00 0.00 H new ATOM 630 N HIS A 45 -4.539 -9.420 6.255 1.00 0.00 N ATOM 631 CA HIS A 45 -4.786 -8.019 5.931 1.00 0.00 C ATOM 632 C HIS A 45 -6.163 -7.844 5.315 1.00 0.00 C ATOM 633 O HIS A 45 -6.493 -8.454 4.296 1.00 0.00 O ATOM 634 CB HIS A 45 -3.713 -7.497 4.965 1.00 0.00 C ATOM 635 CG HIS A 45 -2.460 -7.019 5.650 1.00 0.00 C ATOM 636 ND1 HIS A 45 -2.088 -7.268 6.950 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.584 -6.100 5.145 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.999 -6.542 7.211 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.644 -5.813 6.138 1.00 0.00 N ATOM 0 H HIS A 45 -4.864 -10.064 5.534 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.742 -7.444 6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.453 -8.289 4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.131 -6.678 4.380 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.561 -7.896 7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.613 -5.671 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.474 -6.540 8.155 1.00 0.00 H new ATOM 647 N LYS A 46 -6.950 -6.958 5.914 1.00 0.00 N ATOM 648 CA LYS A 46 -8.186 -6.436 5.344 1.00 0.00 C ATOM 649 C LYS A 46 -8.361 -4.996 5.792 1.00 0.00 C ATOM 650 O LYS A 46 -7.770 -4.591 6.795 1.00 0.00 O ATOM 651 CB LYS A 46 -9.400 -7.276 5.773 1.00 0.00 C ATOM 652 CG LYS A 46 -9.617 -7.270 7.297 1.00 0.00 C ATOM 653 CD LYS A 46 -11.015 -7.766 7.654 1.00 0.00 C ATOM 654 CE LYS A 46 -11.170 -7.704 9.177 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.392 -8.403 9.630 1.00 0.00 N ATOM 0 H LYS A 46 -6.740 -6.572 6.835 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.122 -6.486 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.294 -6.893 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.265 -8.303 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.870 -7.902 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.476 -6.261 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.772 -7.150 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.159 -8.786 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.297 -8.153 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.206 -6.663 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.464 -8.340 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.227 -7.958 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.346 -9.402 9.346 1.00 0.00 H new ATOM 669 N ILE A 47 -9.222 -4.247 5.115 1.00 0.00 N ATOM 670 CA ILE A 47 -9.626 -2.922 5.566 1.00 0.00 C ATOM 671 C ILE A 47 -10.401 -3.058 6.880 1.00 0.00 C ATOM 672 O ILE A 47 -11.353 -3.843 6.955 1.00 0.00 O ATOM 673 CB ILE A 47 -10.467 -2.236 4.472 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.739 -2.160 3.115 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.931 -0.833 4.907 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.441 -1.348 3.121 1.00 0.00 C ATOM 0 H ILE A 47 -9.659 -4.540 4.241 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.752 -2.297 5.748 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.345 -2.867 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.514 -3.174 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.417 -1.727 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.521 -0.381 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.540 -0.914 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.061 -0.209 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.004 -1.354 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.655 -0.321 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.738 -1.790 3.827 1.00 0.00 H new ATOM 688 N GLY A 48 -10.026 -2.264 7.887 1.00 0.00 N ATOM 689 CA GLY A 48 -10.688 -2.180 9.185 1.00 0.00 C ATOM 690 C GLY A 48 -11.389 -0.845 9.396 1.00 0.00 C ATOM 691 O GLY A 48 -12.567 -0.840 9.744 1.00 0.00 O ATOM 0 H GLY A 48 -9.222 -1.640 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.416 -2.987 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.952 -2.329 9.975 1.00 0.00 H new ATOM 695 N ARG A 49 -10.723 0.292 9.161 1.00 0.00 N ATOM 696 CA ARG A 49 -11.366 1.601 9.273 1.00 0.00 C ATOM 697 C ARG A 49 -11.086 2.380 8.006 1.00 0.00 C ATOM 698 O ARG A 49 -10.015 2.230 7.413 1.00 0.00 O ATOM 699 CB ARG A 49 -10.861 2.321 10.544 1.00 0.00 C ATOM 700 CG ARG A 49 -11.628 3.616 10.855 1.00 0.00 C ATOM 701 CD ARG A 49 -11.327 4.122 12.275 1.00 0.00 C ATOM 702 NE ARG A 49 -12.257 5.191 12.690 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.050 6.064 13.687 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.958 5.991 14.443 1.00 0.00 N ATOM 705 NH2 ARG A 49 -12.939 7.006 13.968 1.00 0.00 N ATOM 0 H ARG A 49 -9.740 0.329 8.892 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.447 1.504 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.945 1.644 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.803 2.553 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.358 4.383 10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.699 3.440 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.393 3.291 12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.304 4.495 12.318 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.133 5.273 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.264 5.264 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.814 6.662 15.198 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.798 7.076 13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.764 7.661 14.730 1.00 0.00 H new ATOM 719 N ILE A 50 -12.000 3.266 7.639 1.00 0.00 N ATOM 720 CA ILE A 50 -11.821 4.281 6.623 1.00 0.00 C ATOM 721 C ILE A 50 -12.246 5.597 7.272 1.00 0.00 C ATOM 722 O ILE A 50 -13.282 5.645 7.938 1.00 0.00 O ATOM 723 CB ILE A 50 -12.628 3.863 5.371 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.765 2.895 4.530 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.077 5.054 4.514 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.555 2.202 3.416 1.00 0.00 C ATOM 0 H ILE A 50 -12.927 3.294 8.063 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.797 4.403 6.271 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.542 3.376 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.935 3.447 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.333 2.139 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.638 4.691 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.711 5.712 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.202 5.606 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.894 1.536 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.369 1.624 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.965 2.952 2.740 1.00 0.00 H new ATOM 738 N ILE A 51 -11.440 6.646 7.112 1.00 0.00 N ATOM 739 CA ILE A 51 -11.766 8.010 7.468 1.00 0.00 C ATOM 740 C ILE A 51 -12.992 8.426 6.666 1.00 0.00 C ATOM 741 O ILE A 51 -13.010 8.349 5.435 1.00 0.00 O ATOM 742 CB ILE A 51 -10.529 8.901 7.205 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.548 8.823 8.383 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.852 10.389 7.040 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.871 7.483 8.587 1.00 0.00 C ATOM 0 H ILE A 51 -10.505 6.556 6.714 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.012 8.115 8.525 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.113 8.514 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.777 9.581 8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.084 9.081 9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.931 10.943 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.528 10.523 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.327 10.761 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.201 7.541 9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.626 6.718 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.299 7.225 7.696 1.00 0.00 H new ATOM 757 N ASP A 52 -14.000 8.900 7.384 1.00 0.00 N ATOM 758 CA ASP A 52 -15.124 9.639 6.836 1.00 0.00 C ATOM 759 C ASP A 52 -14.575 10.860 6.102 1.00 0.00 C ATOM 760 O ASP A 52 -13.867 11.674 6.706 1.00 0.00 O ATOM 761 CB ASP A 52 -16.042 10.054 7.991 1.00 0.00 C ATOM 762 CG ASP A 52 -17.195 9.073 8.163 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.960 7.883 8.479 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.363 9.496 7.995 1.00 0.00 O ATOM 0 H ASP A 52 -14.058 8.776 8.395 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.700 9.034 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.466 10.107 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.437 11.053 7.804 1.00 0.00 H new ATOM 769 N GLY A 53 -14.866 10.974 4.804 1.00 0.00 N ATOM 770 CA GLY A 53 -14.392 12.085 3.990 1.00 0.00 C ATOM 771 C GLY A 53 -13.036 11.806 3.347 1.00 0.00 C ATOM 772 O GLY A 53 -12.319 12.757 3.035 1.00 0.00 O ATOM 0 H GLY A 53 -15.435 10.299 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.123 12.297 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.319 12.979 4.609 1.00 0.00 H new ATOM 776 N SER A 54 -12.625 10.544 3.192 1.00 0.00 N ATOM 777 CA SER A 54 -11.360 10.217 2.543 1.00 0.00 C ATOM 778 C SER A 54 -11.502 10.003 1.036 1.00 0.00 C ATOM 779 O SER A 54 -12.591 9.684 0.547 1.00 0.00 O ATOM 780 CB SER A 54 -10.769 8.961 3.176 1.00 0.00 C ATOM 781 OG SER A 54 -11.694 7.897 3.211 1.00 0.00 O ATOM 0 H SER A 54 -13.155 9.732 3.510 1.00 0.00 H new ATOM 0 HA SER A 54 -10.698 11.071 2.689 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.886 8.654 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.440 9.188 4.190 1.00 0.00 H new ATOM 0 HG SER A 54 -12.005 7.764 4.131 1.00 0.00 H new ATOM 787 N PRO A 55 -10.370 10.011 0.308 1.00 0.00 N ATOM 788 CA PRO A 55 -10.325 9.469 -1.039 1.00 0.00 C ATOM 789 C PRO A 55 -10.558 7.951 -1.081 1.00 0.00 C ATOM 790 O PRO A 55 -10.928 7.430 -2.130 1.00 0.00 O ATOM 791 CB PRO A 55 -8.952 9.844 -1.598 1.00 0.00 C ATOM 792 CG PRO A 55 -8.119 10.409 -0.445 1.00 0.00 C ATOM 793 CD PRO A 55 -9.062 10.481 0.757 1.00 0.00 C ATOM 0 HA PRO A 55 -11.132 9.886 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.464 8.971 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.052 10.581 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.263 9.769 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.726 11.395 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.691 9.863 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.128 11.502 1.133 1.00 0.00 H new ATOM 801 N ALA A 56 -10.336 7.223 0.026 1.00 0.00 N ATOM 802 CA ALA A 56 -10.680 5.803 0.105 1.00 0.00 C ATOM 803 C ALA A 56 -12.190 5.646 -0.036 1.00 0.00 C ATOM 804 O ALA A 56 -12.641 4.939 -0.929 1.00 0.00 O ATOM 805 CB ALA A 56 -10.189 5.164 1.413 1.00 0.00 C ATOM 0 H ALA A 56 -9.919 7.600 0.877 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.177 5.281 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.466 4.110 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.105 5.255 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.648 5.673 2.261 1.00 0.00 H new ATOM 811 N ASP A 57 -12.953 6.314 0.829 1.00 0.00 N ATOM 812 CA ASP A 57 -14.413 6.223 0.859 1.00 0.00 C ATOM 813 C ASP A 57 -14.991 6.632 -0.504 1.00 0.00 C ATOM 814 O ASP A 57 -15.757 5.883 -1.108 1.00 0.00 O ATOM 815 CB ASP A 57 -14.910 7.123 1.999 1.00 0.00 C ATOM 816 CG ASP A 57 -16.402 7.029 2.299 1.00 0.00 C ATOM 817 OD1 ASP A 57 -17.071 6.029 1.950 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.920 8.003 2.894 1.00 0.00 O ATOM 0 H ASP A 57 -12.570 6.941 1.537 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.746 5.202 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.357 6.873 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.670 8.158 1.754 1.00 0.00 H new ATOM 823 N ARG A 58 -14.546 7.772 -1.058 1.00 0.00 N ATOM 824 CA ARG A 58 -15.033 8.264 -2.355 1.00 0.00 C ATOM 825 C ARG A 58 -14.539 7.452 -3.550 1.00 0.00 C ATOM 826 O ARG A 58 -15.000 7.698 -4.666 1.00 0.00 O ATOM 827 CB ARG A 58 -14.653 9.732 -2.572 1.00 0.00 C ATOM 828 CG ARG A 58 -15.323 10.681 -1.579 1.00 0.00 C ATOM 829 CD ARG A 58 -15.168 12.116 -2.091 1.00 0.00 C ATOM 830 NE ARG A 58 -15.438 13.094 -1.029 1.00 0.00 N ATOM 831 CZ ARG A 58 -14.545 13.537 -0.136 1.00 0.00 C ATOM 832 NH1 ARG A 58 -13.289 13.109 -0.194 1.00 0.00 N ATOM 833 NH2 ARG A 58 -14.914 14.360 0.832 1.00 0.00 N ATOM 0 H ARG A 58 -13.845 8.373 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.116 8.154 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.571 9.836 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.926 10.025 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.378 10.431 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.868 10.580 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.158 12.261 -2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.851 12.283 -2.924 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.385 13.467 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.009 12.446 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.604 13.443 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.886 14.662 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.227 14.693 1.508 1.00 0.00 H new ATOM 847 N CYS A 59 -13.632 6.489 -3.369 1.00 0.00 N ATOM 848 CA CYS A 59 -13.334 5.526 -4.422 1.00 0.00 C ATOM 849 C CYS A 59 -14.595 4.706 -4.745 1.00 0.00 C ATOM 850 O CYS A 59 -14.707 4.181 -5.853 1.00 0.00 O ATOM 851 CB CYS A 59 -12.146 4.656 -3.986 1.00 0.00 C ATOM 852 SG CYS A 59 -11.556 3.598 -5.341 1.00 0.00 S ATOM 0 H CYS A 59 -13.098 6.359 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.045 6.033 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.333 5.296 -3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.441 4.034 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.332 3.918 -5.640 1.00 0.00 H new ATOM 858 N ALA A 60 -15.564 4.635 -3.818 1.00 0.00 N ATOM 859 CA ALA A 60 -16.860 3.987 -3.988 1.00 0.00 C ATOM 860 C ALA A 60 -16.735 2.509 -4.385 1.00 0.00 C ATOM 861 O ALA A 60 -17.639 1.955 -5.016 1.00 0.00 O ATOM 862 CB ALA A 60 -17.729 4.812 -4.949 1.00 0.00 C ATOM 0 H ALA A 60 -15.454 5.048 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.367 3.963 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.696 4.325 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.876 5.811 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.232 4.886 -5.916 1.00 0.00 H new ATOM 868 N LYS A 61 -15.619 1.882 -4.011 1.00 0.00 N ATOM 869 CA LYS A 61 -15.313 0.467 -4.195 1.00 0.00 C ATOM 870 C LYS A 61 -14.916 -0.136 -2.856 1.00 0.00 C ATOM 871 O LYS A 61 -15.503 -1.122 -2.414 1.00 0.00 O ATOM 872 CB LYS A 61 -14.171 0.284 -5.210 1.00 0.00 C ATOM 873 CG LYS A 61 -14.608 0.552 -6.657 1.00 0.00 C ATOM 874 CD LYS A 61 -13.618 -0.021 -7.666 1.00 0.00 C ATOM 875 CE LYS A 61 -12.381 0.852 -7.884 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.651 1.958 -8.825 1.00 0.00 N ATOM 0 H LYS A 61 -14.861 2.380 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.197 -0.039 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.352 0.956 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.785 -0.732 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.592 0.115 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.705 1.626 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.300 -1.007 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.126 -0.159 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.051 1.260 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.566 0.239 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.790 2.528 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.942 1.568 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.412 2.558 -8.447 1.00 0.00 H new ATOM 890 N LEU A 62 -13.955 0.504 -2.188 1.00 0.00 N ATOM 891 CA LEU A 62 -13.190 -0.112 -1.123 1.00 0.00 C ATOM 892 C LEU A 62 -13.885 0.211 0.184 1.00 0.00 C ATOM 893 O LEU A 62 -14.035 1.382 0.539 1.00 0.00 O ATOM 894 CB LEU A 62 -11.766 0.458 -1.128 1.00 0.00 C ATOM 895 CG LEU A 62 -10.852 -0.168 -0.054 1.00 0.00 C ATOM 896 CD1 LEU A 62 -10.216 -1.475 -0.547 1.00 0.00 C ATOM 897 CD2 LEU A 62 -9.735 0.811 0.316 1.00 0.00 C ATOM 0 H LEU A 62 -13.690 1.470 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.128 -1.192 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.322 0.298 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.813 1.536 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.471 -0.385 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.579 -1.887 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.000 -2.191 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.617 -1.276 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.094 0.362 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.143 1.039 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.171 1.730 0.707 1.00 0.00 H new ATOM 909 N LYS A 63 -14.329 -0.822 0.890 1.00 0.00 N ATOM 910 CA LYS A 63 -15.017 -0.697 2.166 1.00 0.00 C ATOM 911 C LYS A 63 -14.370 -1.625 3.179 1.00 0.00 C ATOM 912 O LYS A 63 -13.436 -2.384 2.909 1.00 0.00 O ATOM 913 CB LYS A 63 -16.532 -0.941 2.019 1.00 0.00 C ATOM 914 CG LYS A 63 -17.268 0.153 1.232 1.00 0.00 C ATOM 915 CD LYS A 63 -17.371 1.525 1.927 1.00 0.00 C ATOM 916 CE LYS A 63 -18.369 2.405 1.151 1.00 0.00 C ATOM 917 NZ LYS A 63 -18.615 3.732 1.764 1.00 0.00 N ATOM 0 H LYS A 63 -14.218 -1.789 0.584 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.917 0.325 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.689 -1.899 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.975 -1.020 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.763 0.288 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.276 -0.199 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.701 1.401 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.393 2.005 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.996 2.549 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.317 1.874 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.446 4.171 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.788 3.617 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.784 4.340 1.620 1.00 0.00 H new ATOM 931 N VAL A 64 -14.814 -1.461 4.412 1.00 0.00 N ATOM 932 CA VAL A 64 -14.353 -2.251 5.534 1.00 0.00 C ATOM 933 C VAL A 64 -14.785 -3.702 5.289 1.00 0.00 C ATOM 934 O VAL A 64 -15.974 -3.981 5.126 1.00 0.00 O ATOM 935 CB VAL A 64 -14.901 -1.632 6.831 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.529 -2.486 8.041 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.379 -0.198 7.046 1.00 0.00 C ATOM 0 H VAL A 64 -15.515 -0.764 4.663 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.268 -2.253 5.638 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.986 -1.596 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.928 -2.028 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.950 -3.485 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.444 -2.556 8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.789 0.203 7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.291 -0.212 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.687 0.430 6.210 1.00 0.00 H new ATOM 947 N GLY A 65 -13.827 -4.634 5.272 1.00 0.00 N ATOM 948 CA GLY A 65 -14.046 -6.054 5.029 1.00 0.00 C ATOM 949 C GLY A 65 -13.113 -6.544 3.932 1.00 0.00 C ATOM 950 O GLY A 65 -12.863 -7.748 3.837 1.00 0.00 O ATOM 0 H GLY A 65 -12.846 -4.408 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.872 -6.619 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.083 -6.226 4.740 1.00 0.00 H new ATOM 954 N ASP A 66 -12.575 -5.616 3.133 1.00 0.00 N ATOM 955 CA ASP A 66 -11.920 -5.945 1.880 1.00 0.00 C ATOM 956 C ASP A 66 -10.533 -6.500 2.171 1.00 0.00 C ATOM 957 O ASP A 66 -9.584 -5.774 2.468 1.00 0.00 O ATOM 958 CB ASP A 66 -11.903 -4.776 0.879 1.00 0.00 C ATOM 959 CG ASP A 66 -13.301 -4.295 0.471 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.303 -4.933 0.865 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.368 -3.275 -0.249 1.00 0.00 O ATOM 0 H ASP A 66 -12.586 -4.618 3.344 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.505 -6.716 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.355 -3.942 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.358 -5.082 -0.014 1.00 0.00 H new ATOM 966 N ARG A 67 -10.463 -7.826 2.158 1.00 0.00 N ATOM 967 CA ARG A 67 -9.274 -8.679 2.084 1.00 0.00 C ATOM 968 C ARG A 67 -8.300 -8.155 1.021 1.00 0.00 C ATOM 969 O ARG A 67 -8.679 -8.067 -0.154 1.00 0.00 O ATOM 970 CB ARG A 67 -9.720 -10.124 1.765 1.00 0.00 C ATOM 971 CG ARG A 67 -10.580 -10.729 2.889 1.00 0.00 C ATOM 972 CD ARG A 67 -10.971 -12.190 2.639 1.00 0.00 C ATOM 973 NE ARG A 67 -12.174 -12.299 1.793 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.193 -13.149 1.971 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.095 -14.168 2.815 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.331 -12.974 1.315 1.00 0.00 N ATOM 0 H ARG A 67 -11.314 -8.387 2.203 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.750 -8.666 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.286 -10.130 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.840 -10.748 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.033 -10.663 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.485 -10.133 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.142 -12.711 2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.151 -12.686 3.593 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.236 -11.666 0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.233 -14.314 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.881 -14.806 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.433 -12.189 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.105 -13.624 1.454 1.00 0.00 H new ATOM 990 N ILE A 68 -7.071 -7.816 1.420 1.00 0.00 N ATOM 991 CA ILE A 68 -6.003 -7.270 0.570 1.00 0.00 C ATOM 992 C ILE A 68 -5.032 -8.417 0.258 1.00 0.00 C ATOM 993 O ILE A 68 -4.925 -9.350 1.055 1.00 0.00 O ATOM 994 CB ILE A 68 -5.288 -6.094 1.294 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.297 -5.046 1.822 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.245 -5.409 0.386 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.678 -3.959 2.703 1.00 0.00 C ATOM 0 H ILE A 68 -6.777 -7.919 2.391 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.408 -6.869 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.767 -6.530 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.788 -4.572 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.072 -5.560 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.769 -4.593 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.490 -6.136 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.739 -5.014 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.456 -3.268 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.213 -4.419 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.924 -3.415 2.134 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.316 -8.364 -0.870 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.477 -9.427 -1.395 1.00 0.00 C ATOM 1011 C LEU A 69 -2.106 -8.885 -1.785 1.00 0.00 C ATOM 1012 O LEU A 69 -1.086 -9.503 -1.492 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.248 -9.987 -2.594 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.432 -10.567 -3.747 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.557 -11.770 -3.376 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.393 -11.009 -4.853 1.00 0.00 C ATOM 0 H LEU A 69 -4.311 -7.535 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.280 -10.209 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.917 -10.767 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.875 -9.190 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.755 -9.773 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.016 -12.112 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.845 -11.478 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.187 -12.577 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.824 -11.426 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.073 -11.766 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.967 -10.150 -5.201 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.077 -7.744 -2.467 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.841 -7.070 -2.846 1.00 0.00 C ATOM 1030 C ALA A 70 -1.046 -5.551 -2.871 1.00 0.00 C ATOM 1031 O ALA A 70 -2.178 -5.066 -2.927 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.345 -7.618 -4.196 1.00 0.00 C ATOM 0 H ALA A 70 -2.919 -7.257 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.069 -7.272 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.579 -7.112 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.160 -8.689 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.102 -7.442 -4.960 1.00 0.00 H new ATOM 1038 N VAL A 71 0.054 -4.803 -2.857 1.00 0.00 N ATOM 1039 CA VAL A 71 0.094 -3.343 -2.797 1.00 0.00 C ATOM 1040 C VAL A 71 1.086 -2.921 -3.866 1.00 0.00 C ATOM 1041 O VAL A 71 2.237 -3.345 -3.811 1.00 0.00 O ATOM 1042 CB VAL A 71 0.491 -2.882 -1.378 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.753 -1.373 -1.299 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.614 -3.225 -0.364 1.00 0.00 C ATOM 0 H VAL A 71 0.986 -5.217 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.874 -2.880 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 71 1.413 -3.412 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.028 -1.104 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.566 -1.109 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.148 -0.832 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.313 -2.891 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.539 -2.724 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.774 -4.303 -0.351 1.00 0.00 H new ATOM 1054 N ASN A 72 0.617 -2.166 -4.862 1.00 0.00 N ATOM 1055 CA ASN A 72 1.336 -1.807 -6.086 1.00 0.00 C ATOM 1056 C ASN A 72 2.085 -3.034 -6.619 1.00 0.00 C ATOM 1057 O ASN A 72 3.316 -3.058 -6.696 1.00 0.00 O ATOM 1058 CB ASN A 72 2.259 -0.599 -5.871 1.00 0.00 C ATOM 1059 CG ASN A 72 1.679 0.486 -4.980 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.600 1.022 -5.225 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.377 0.789 -3.898 1.00 0.00 N ATOM 0 H ASN A 72 -0.322 -1.769 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 72 0.615 -1.496 -6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.196 -0.947 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.500 -0.165 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.023 1.484 -3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.269 0.328 -3.721 1.00 0.00 H new ATOM 1068 N GLY A 73 1.337 -4.108 -6.872 1.00 0.00 N ATOM 1069 CA GLY A 73 1.844 -5.374 -7.373 1.00 0.00 C ATOM 1070 C GLY A 73 2.745 -6.167 -6.413 1.00 0.00 C ATOM 1071 O GLY A 73 3.130 -7.280 -6.777 1.00 0.00 O ATOM 0 H GLY A 73 0.327 -4.115 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.995 -6.001 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.403 -5.182 -8.289 1.00 0.00 H new ATOM 1075 N GLN A 74 3.103 -5.671 -5.224 1.00 0.00 N ATOM 1076 CA GLN A 74 3.985 -6.385 -4.301 1.00 0.00 C ATOM 1077 C GLN A 74 3.185 -7.268 -3.356 1.00 0.00 C ATOM 1078 O GLN A 74 2.224 -6.807 -2.740 1.00 0.00 O ATOM 1079 CB GLN A 74 4.854 -5.410 -3.490 1.00 0.00 C ATOM 1080 CG GLN A 74 6.318 -5.489 -3.916 1.00 0.00 C ATOM 1081 CD GLN A 74 6.970 -6.837 -3.600 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.798 -7.806 -4.339 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.741 -6.929 -2.532 1.00 0.00 N ATOM 0 H GLN A 74 2.789 -4.765 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 74 4.640 -7.015 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.487 -4.393 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.769 -5.640 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.388 -5.302 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.877 -4.697 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.875 -6.118 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.203 -7.811 -2.311 1.00 0.00 H new ATOM 1092 N SER A 75 3.593 -8.529 -3.230 1.00 0.00 N ATOM 1093 CA SER A 75 2.956 -9.506 -2.366 1.00 0.00 C ATOM 1094 C SER A 75 3.281 -9.217 -0.899 1.00 0.00 C ATOM 1095 O SER A 75 4.276 -9.697 -0.361 1.00 0.00 O ATOM 1096 CB SER A 75 3.403 -10.911 -2.773 1.00 0.00 C ATOM 1097 OG SER A 75 2.983 -11.174 -4.100 1.00 0.00 O ATOM 0 H SER A 75 4.394 -8.903 -3.739 1.00 0.00 H new ATOM 0 HA SER A 75 1.874 -9.441 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.487 -10.995 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.980 -11.650 -2.093 1.00 0.00 H new ATOM 0 HG SER A 75 3.271 -12.073 -4.362 1.00 0.00 H new ATOM 1103 N ILE A 76 2.390 -8.482 -0.241 1.00 0.00 N ATOM 1104 CA ILE A 76 2.399 -8.091 1.173 1.00 0.00 C ATOM 1105 C ILE A 76 2.366 -9.261 2.176 1.00 0.00 C ATOM 1106 O ILE A 76 2.127 -9.045 3.362 1.00 0.00 O ATOM 1107 CB ILE A 76 1.249 -7.086 1.419 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.161 -7.613 1.064 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.475 -5.812 0.604 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -0.925 -8.167 2.253 1.00 0.00 C ATOM 0 H ILE A 76 1.570 -8.110 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 76 3.363 -7.621 1.366 1.00 0.00 H new ATOM 0 HB ILE A 76 1.273 -6.903 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.739 -6.804 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.068 -8.393 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.658 -5.114 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.418 -5.353 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.510 -6.060 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.904 -8.517 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.369 -8.998 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.051 -7.384 3.001 1.00 0.00 H new ATOM 1122 N ILE A 77 2.555 -10.497 1.721 1.00 0.00 N ATOM 1123 CA ILE A 77 2.535 -11.717 2.519 1.00 0.00 C ATOM 1124 C ILE A 77 3.688 -11.661 3.536 1.00 0.00 C ATOM 1125 O ILE A 77 3.466 -11.339 4.703 1.00 0.00 O ATOM 1126 CB ILE A 77 2.532 -12.956 1.586 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.308 -12.872 0.637 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.493 -14.254 2.413 1.00 0.00 C ATOM 1129 CD1 ILE A 77 1.160 -14.062 -0.309 1.00 0.00 C ATOM 0 H ILE A 77 2.735 -10.683 0.734 1.00 0.00 H new ATOM 0 HA ILE A 77 1.620 -11.806 3.105 1.00 0.00 H new ATOM 0 HB ILE A 77 3.447 -12.967 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.403 -12.787 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.385 -11.960 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.491 -15.113 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.369 -14.300 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.590 -14.269 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.280 -13.921 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.046 -14.138 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.049 -14.977 0.272 1.00 0.00 H new ATOM 1141 N ASN A 78 4.924 -11.956 3.116 1.00 0.00 N ATOM 1142 CA ASN A 78 6.059 -12.036 4.042 1.00 0.00 C ATOM 1143 C ASN A 78 6.628 -10.668 4.411 1.00 0.00 C ATOM 1144 O ASN A 78 7.459 -10.593 5.316 1.00 0.00 O ATOM 1145 CB ASN A 78 7.191 -12.878 3.449 1.00 0.00 C ATOM 1146 CG ASN A 78 6.877 -14.359 3.468 1.00 0.00 C ATOM 1147 OD1 ASN A 78 6.802 -14.970 4.538 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.677 -14.956 2.308 1.00 0.00 N ATOM 0 H ASN A 78 5.163 -12.143 2.142 1.00 0.00 H new ATOM 0 HA ASN A 78 5.665 -12.501 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.377 -12.562 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.108 -12.696 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.453 -15.951 2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.746 -14.423 1.441 1.00 0.00 H new ATOM 1155 N MET A 79 6.230 -9.606 3.704 1.00 0.00 N ATOM 1156 CA MET A 79 6.734 -8.265 3.949 1.00 0.00 C ATOM 1157 C MET A 79 6.411 -7.833 5.383 1.00 0.00 C ATOM 1158 O MET A 79 5.286 -8.063 5.842 1.00 0.00 O ATOM 1159 CB MET A 79 6.090 -7.275 2.974 1.00 0.00 C ATOM 1160 CG MET A 79 6.879 -7.162 1.673 1.00 0.00 C ATOM 1161 SD MET A 79 5.881 -6.732 0.225 1.00 0.00 S ATOM 1162 CE MET A 79 5.553 -4.993 0.581 1.00 0.00 C ATOM 0 H MET A 79 5.549 -9.659 2.947 1.00 0.00 H new ATOM 0 HA MET A 79 7.814 -8.271 3.805 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.071 -7.593 2.754 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.023 -6.294 3.444 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.657 -6.409 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.381 -8.111 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.560 -4.728 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.601 -4.827 1.657 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.299 -4.373 0.084 1.00 0.00 H new ATOM 1172 N PRO A 80 7.341 -7.140 6.066 1.00 0.00 N ATOM 1173 CA PRO A 80 7.042 -6.493 7.335 1.00 0.00 C ATOM 1174 C PRO A 80 6.022 -5.373 7.106 1.00 0.00 C ATOM 1175 O PRO A 80 5.966 -4.787 6.020 1.00 0.00 O ATOM 1176 CB PRO A 80 8.386 -5.944 7.830 1.00 0.00 C ATOM 1177 CG PRO A 80 9.161 -5.683 6.541 1.00 0.00 C ATOM 1178 CD PRO A 80 8.675 -6.786 5.600 1.00 0.00 C ATOM 0 HA PRO A 80 6.605 -7.170 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.257 -5.032 8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.901 -6.660 8.470 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.950 -4.692 6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.238 -5.739 6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.650 -6.437 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.342 -7.648 5.629 1.00 0.00 H new ATOM 1186 N HIS A 81 5.273 -5.005 8.147 1.00 0.00 N ATOM 1187 CA HIS A 81 4.366 -3.866 8.085 1.00 0.00 C ATOM 1188 C HIS A 81 5.122 -2.594 7.710 1.00 0.00 C ATOM 1189 O HIS A 81 4.590 -1.787 6.959 1.00 0.00 O ATOM 1190 CB HIS A 81 3.594 -3.696 9.402 1.00 0.00 C ATOM 1191 CG HIS A 81 2.396 -2.789 9.263 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.303 -3.034 8.471 1.00 0.00 N ATOM 1193 CD2 HIS A 81 2.201 -1.580 9.867 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.467 -1.990 8.575 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.964 -1.076 9.433 1.00 0.00 N ATOM 0 H HIS A 81 5.280 -5.485 9.047 1.00 0.00 H new ATOM 0 HA HIS A 81 3.631 -4.060 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.265 -4.674 9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.264 -3.292 10.161 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.878 -1.097 10.556 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.470 -1.895 8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.529 -0.196 9.711 1.00 0.00 H new ATOM 1203 N ALA A 82 6.373 -2.433 8.158 1.00 0.00 N ATOM 1204 CA ALA A 82 7.214 -1.302 7.779 1.00 0.00 C ATOM 1205 C ALA A 82 7.385 -1.186 6.263 1.00 0.00 C ATOM 1206 O ALA A 82 7.314 -0.074 5.747 1.00 0.00 O ATOM 1207 CB ALA A 82 8.579 -1.418 8.462 1.00 0.00 C ATOM 0 H ALA A 82 6.827 -3.088 8.795 1.00 0.00 H new ATOM 0 HA ALA A 82 6.713 -0.393 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.202 -0.571 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.446 -1.421 9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.062 -2.345 8.154 1.00 0.00 H new ATOM 1213 N ASP A 83 7.582 -2.298 5.548 1.00 0.00 N ATOM 1214 CA ASP A 83 7.714 -2.295 4.088 1.00 0.00 C ATOM 1215 C ASP A 83 6.400 -1.867 3.464 1.00 0.00 C ATOM 1216 O ASP A 83 6.400 -1.061 2.546 1.00 0.00 O ATOM 1217 CB ASP A 83 8.056 -3.690 3.530 1.00 0.00 C ATOM 1218 CG ASP A 83 9.549 -3.947 3.360 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.367 -3.527 4.206 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.921 -4.567 2.338 1.00 0.00 O ATOM 0 H ASP A 83 7.654 -3.226 5.965 1.00 0.00 H new ATOM 0 HA ASP A 83 8.523 -1.607 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.642 -4.447 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.565 -3.813 2.564 1.00 0.00 H new ATOM 1225 N ILE A 84 5.284 -2.413 3.938 1.00 0.00 N ATOM 1226 CA ILE A 84 3.941 -2.197 3.406 1.00 0.00 C ATOM 1227 C ILE A 84 3.545 -0.726 3.614 1.00 0.00 C ATOM 1228 O ILE A 84 3.076 -0.062 2.689 1.00 0.00 O ATOM 1229 CB ILE A 84 3.013 -3.225 4.104 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.407 -4.658 3.666 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.517 -2.990 3.842 1.00 0.00 C ATOM 1232 CD1 ILE A 84 2.906 -5.767 4.590 1.00 0.00 C ATOM 0 H ILE A 84 5.291 -3.046 4.738 1.00 0.00 H new ATOM 0 HA ILE A 84 3.869 -2.362 2.331 1.00 0.00 H new ATOM 0 HB ILE A 84 3.156 -3.095 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.020 -4.836 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.494 -4.719 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.933 -3.749 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.235 -2.002 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.321 -3.053 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.229 -6.735 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.314 -5.620 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.817 -5.739 4.635 1.00 0.00 H new ATOM 1244 N VAL A 85 3.813 -0.182 4.796 1.00 0.00 N ATOM 1245 CA VAL A 85 3.700 1.232 5.111 1.00 0.00 C ATOM 1246 C VAL A 85 4.535 2.046 4.124 1.00 0.00 C ATOM 1247 O VAL A 85 4.038 3.034 3.563 1.00 0.00 O ATOM 1248 CB VAL A 85 4.089 1.408 6.586 1.00 0.00 C ATOM 1249 CG1 VAL A 85 4.424 2.836 7.016 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.972 0.881 7.492 1.00 0.00 C ATOM 0 H VAL A 85 4.127 -0.739 5.591 1.00 0.00 H new ATOM 0 HA VAL A 85 2.684 1.609 4.998 1.00 0.00 H new ATOM 0 HB VAL A 85 5.010 0.834 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.684 2.846 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.267 3.204 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.559 3.479 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.258 1.011 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.053 1.434 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.808 -0.177 7.290 1.00 0.00 H new ATOM 1260 N LYS A 86 5.788 1.655 3.886 1.00 0.00 N ATOM 1261 CA LYS A 86 6.661 2.345 2.973 1.00 0.00 C ATOM 1262 C LYS A 86 6.264 2.183 1.514 1.00 0.00 C ATOM 1263 O LYS A 86 6.515 3.112 0.762 1.00 0.00 O ATOM 1264 CB LYS A 86 8.082 1.890 3.287 1.00 0.00 C ATOM 1265 CG LYS A 86 8.706 2.850 4.313 1.00 0.00 C ATOM 1266 CD LYS A 86 10.092 2.445 4.829 1.00 0.00 C ATOM 1267 CE LYS A 86 11.234 2.944 3.938 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.515 3.050 4.676 1.00 0.00 N ATOM 0 H LYS A 86 6.216 0.843 4.331 1.00 0.00 H new ATOM 0 HA LYS A 86 6.583 3.422 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.072 0.874 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.681 1.873 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.779 3.840 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.030 2.936 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.227 2.838 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.143 1.359 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.358 2.265 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.972 3.919 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.258 3.391 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.406 3.718 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.780 2.115 5.047 1.00 0.00 H new ATOM 1282 N LEU A 87 5.614 1.098 1.098 1.00 0.00 N ATOM 1283 CA LEU A 87 5.133 0.859 -0.247 1.00 0.00 C ATOM 1284 C LEU A 87 3.985 1.801 -0.577 1.00 0.00 C ATOM 1285 O LEU A 87 3.912 2.338 -1.675 1.00 0.00 O ATOM 1286 CB LEU A 87 4.653 -0.600 -0.260 1.00 0.00 C ATOM 1287 CG LEU A 87 5.683 -1.698 -0.566 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.277 -2.487 -1.806 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.135 -1.240 -0.710 1.00 0.00 C ATOM 0 H LEU A 87 5.401 0.325 1.729 1.00 0.00 H new ATOM 0 HA LEU A 87 5.910 1.034 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.215 -0.816 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.851 -0.681 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 87 5.667 -2.324 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.020 -3.259 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.305 -2.952 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.215 -1.814 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.768 -2.101 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.211 -0.521 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.462 -0.771 0.218 1.00 0.00 H new ATOM 1301 N ILE A 88 3.085 2.025 0.377 1.00 0.00 N ATOM 1302 CA ILE A 88 1.964 2.934 0.184 1.00 0.00 C ATOM 1303 C ILE A 88 2.528 4.351 0.101 1.00 0.00 C ATOM 1304 O ILE A 88 2.147 5.111 -0.784 1.00 0.00 O ATOM 1305 CB ILE A 88 0.986 2.761 1.354 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.343 1.354 1.336 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.102 3.846 1.383 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.339 0.959 2.649 1.00 0.00 C ATOM 0 H ILE A 88 3.113 1.585 1.297 1.00 0.00 H new ATOM 0 HA ILE A 88 1.416 2.726 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 88 1.573 2.871 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.391 1.313 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.113 0.618 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.765 3.674 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.364 4.826 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.678 3.808 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.764 -0.040 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.394 0.965 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.133 1.670 2.875 1.00 0.00 H new ATOM 1320 N LYS A 89 3.427 4.720 1.021 1.00 0.00 N ATOM 1321 CA LYS A 89 4.034 6.034 1.006 1.00 0.00 C ATOM 1322 C LYS A 89 4.865 6.257 -0.251 1.00 0.00 C ATOM 1323 O LYS A 89 4.840 7.361 -0.785 1.00 0.00 O ATOM 1324 CB LYS A 89 4.864 6.180 2.276 1.00 0.00 C ATOM 1325 CG LYS A 89 5.173 7.643 2.581 1.00 0.00 C ATOM 1326 CD LYS A 89 6.664 7.994 2.496 1.00 0.00 C ATOM 1327 CE LYS A 89 6.909 9.501 2.662 1.00 0.00 C ATOM 1328 NZ LYS A 89 6.374 10.288 1.528 1.00 0.00 N ATOM 0 H LYS A 89 3.743 4.118 1.782 1.00 0.00 H new ATOM 0 HA LYS A 89 3.260 6.802 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.326 5.739 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.796 5.626 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.621 8.274 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.810 7.880 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.209 7.451 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.060 7.666 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.446 9.842 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.979 9.684 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.722 11.266 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.689 9.864 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.335 10.287 1.565 1.00 0.00 H new ATOM 1342 N ASP A 90 5.576 5.241 -0.729 1.00 0.00 N ATOM 1343 CA ASP A 90 6.335 5.286 -1.975 1.00 0.00 C ATOM 1344 C ASP A 90 5.400 5.527 -3.155 1.00 0.00 C ATOM 1345 O ASP A 90 5.788 6.252 -4.070 1.00 0.00 O ATOM 1346 CB ASP A 90 7.141 3.992 -2.171 1.00 0.00 C ATOM 1347 CG ASP A 90 8.006 4.010 -3.435 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.711 5.017 -3.666 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.060 2.962 -4.127 1.00 0.00 O ATOM 0 H ASP A 90 5.642 4.343 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 90 7.041 6.115 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.780 3.834 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.454 3.147 -2.220 1.00 0.00 H new ATOM 1354 N ALA A 91 4.152 5.033 -3.087 1.00 0.00 N ATOM 1355 CA ALA A 91 3.152 5.304 -4.124 1.00 0.00 C ATOM 1356 C ALA A 91 2.720 6.785 -4.148 1.00 0.00 C ATOM 1357 O ALA A 91 2.068 7.253 -5.083 1.00 0.00 O ATOM 1358 CB ALA A 91 1.952 4.378 -3.913 1.00 0.00 C ATOM 0 H ALA A 91 3.816 4.445 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 91 3.600 5.105 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.203 4.573 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.278 3.340 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.520 4.561 -2.929 1.00 0.00 H new ATOM 1364 N GLY A 92 3.090 7.542 -3.113 1.00 0.00 N ATOM 1365 CA GLY A 92 2.904 8.970 -3.005 1.00 0.00 C ATOM 1366 C GLY A 92 1.426 9.307 -2.928 1.00 0.00 C ATOM 1367 O GLY A 92 0.814 9.190 -1.861 1.00 0.00 O ATOM 0 H GLY A 92 3.549 7.145 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.415 9.344 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.353 9.468 -3.865 1.00 0.00 H new ATOM 1371 N LEU A 93 0.851 9.730 -4.054 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.543 10.169 -4.125 1.00 0.00 C ATOM 1373 C LEU A 93 -1.433 9.154 -4.789 1.00 0.00 C ATOM 1374 O LEU A 93 -2.631 9.197 -4.538 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.740 11.468 -4.911 1.00 0.00 C ATOM 1376 CG LEU A 93 0.248 12.553 -4.533 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.035 13.809 -5.380 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.149 12.909 -3.047 1.00 0.00 C ATOM 0 H LEU A 93 1.342 9.778 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.811 10.315 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.648 11.257 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.753 11.835 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 93 1.246 12.160 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.757 14.572 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.171 13.565 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.975 14.187 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.872 13.690 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.857 13.266 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.361 12.025 -2.446 1.00 0.00 H new ATOM 1390 N SER A 94 -0.892 8.293 -5.639 1.00 0.00 N ATOM 1391 CA SER A 94 -1.690 7.268 -6.300 1.00 0.00 C ATOM 1392 C SER A 94 -1.200 5.899 -5.882 1.00 0.00 C ATOM 1393 O SER A 94 -0.077 5.529 -6.201 1.00 0.00 O ATOM 1394 CB SER A 94 -1.651 7.454 -7.819 1.00 0.00 C ATOM 1395 OG SER A 94 -0.437 8.035 -8.279 1.00 0.00 O ATOM 0 H SER A 94 0.097 8.283 -5.888 1.00 0.00 H new ATOM 0 HA SER A 94 -2.732 7.361 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.789 6.486 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.487 8.084 -8.123 1.00 0.00 H new ATOM 0 HG SER A 94 -0.468 8.128 -9.254 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.072 5.090 -5.290 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.736 3.769 -4.771 1.00 0.00 C ATOM 1403 C VAL A 95 -2.688 2.751 -5.389 1.00 0.00 C ATOM 1404 O VAL A 95 -3.843 3.089 -5.660 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.748 3.815 -3.227 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.132 4.091 -2.617 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.188 2.527 -2.616 1.00 0.00 C ATOM 0 H VAL A 95 -3.052 5.339 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.729 3.457 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.105 4.659 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.054 4.107 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.499 5.055 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.826 3.307 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.214 2.599 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.792 1.679 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.159 2.385 -2.946 1.00 0.00 H new ATOM 1417 N THR A 96 -2.220 1.517 -5.592 1.00 0.00 N ATOM 1418 CA THR A 96 -2.997 0.419 -6.136 1.00 0.00 C ATOM 1419 C THR A 96 -3.105 -0.662 -5.063 1.00 0.00 C ATOM 1420 O THR A 96 -2.092 -1.223 -4.634 1.00 0.00 O ATOM 1421 CB THR A 96 -2.347 -0.143 -7.417 1.00 0.00 C ATOM 1422 OG1 THR A 96 -1.385 0.695 -8.025 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.413 -0.374 -8.486 1.00 0.00 C ATOM 0 H THR A 96 -1.259 1.254 -5.373 1.00 0.00 H new ATOM 0 HA THR A 96 -3.990 0.773 -6.413 1.00 0.00 H new ATOM 0 HB THR A 96 -1.852 -1.053 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.028 0.256 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.945 -0.771 -9.387 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.151 -1.086 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.905 0.570 -8.719 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.319 -0.961 -4.607 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.586 -2.089 -3.722 1.00 0.00 C ATOM 1433 C LEU A 97 -5.106 -3.211 -4.596 1.00 0.00 C ATOM 1434 O LEU A 97 -6.179 -3.101 -5.194 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.587 -1.727 -2.617 1.00 0.00 C ATOM 1436 CG LEU A 97 -5.055 -0.622 -1.696 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -6.194 -0.051 -0.846 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.914 -1.103 -0.796 1.00 0.00 C ATOM 0 H LEU A 97 -5.152 -0.422 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.676 -2.390 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.524 -1.401 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.810 -2.615 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.647 0.160 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.805 0.733 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.961 0.366 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.628 -0.845 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.576 -0.280 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.266 -1.921 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.086 -1.451 -1.413 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.313 -4.272 -4.709 1.00 0.00 N ATOM 1451 CA ARG A 98 -4.796 -5.529 -5.274 1.00 0.00 C ATOM 1452 C ARG A 98 -5.532 -6.249 -4.155 1.00 0.00 C ATOM 1453 O ARG A 98 -4.915 -6.656 -3.165 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.669 -6.374 -5.892 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.206 -7.627 -6.616 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.176 -8.278 -7.556 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.095 -7.585 -8.858 1.00 0.00 N ATOM 1458 CZ ARG A 98 -1.999 -7.310 -9.579 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -0.806 -7.776 -9.221 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.093 -6.553 -10.666 1.00 0.00 N ATOM 0 H ARG A 98 -3.336 -4.287 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.469 -5.341 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.105 -5.763 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.975 -6.679 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.523 -8.359 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.091 -7.354 -7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.195 -8.270 -7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.443 -9.322 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.982 -7.278 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.714 -8.353 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.017 -7.556 -9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.999 -6.181 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.259 -6.343 -11.215 1.00 0.00 H new ATOM 1474 N ILE A 99 -6.843 -6.382 -4.299 1.00 0.00 N ATOM 1475 CA ILE A 99 -7.730 -7.019 -3.331 1.00 0.00 C ATOM 1476 C ILE A 99 -8.358 -8.257 -3.983 1.00 0.00 C ATOM 1477 O ILE A 99 -8.269 -8.414 -5.204 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.749 -5.983 -2.796 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.755 -5.499 -3.860 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.028 -4.768 -2.178 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.125 -6.167 -3.709 1.00 0.00 C ATOM 0 H ILE A 99 -7.338 -6.038 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.187 -7.371 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.321 -6.506 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.870 -4.418 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.359 -5.708 -4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.766 -4.055 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.400 -5.100 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.408 -4.289 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.799 -5.794 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.017 -7.247 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.536 -5.936 -2.726 1.00 0.00 H new ATOM 1493 N ILE A 100 -8.982 -9.131 -3.188 1.00 0.00 N ATOM 1494 CA ILE A 100 -9.730 -10.290 -3.679 1.00 0.00 C ATOM 1495 C ILE A 100 -11.216 -9.953 -3.529 1.00 0.00 C ATOM 1496 O ILE A 100 -11.644 -9.696 -2.401 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.329 -11.569 -2.923 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -7.879 -11.948 -3.287 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -10.240 -12.757 -3.260 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.083 -12.260 -2.014 1.00 0.00 C ATOM 0 H ILE A 100 -8.981 -9.051 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.505 -10.494 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.426 -11.357 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.876 -12.814 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.406 -11.130 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.915 -13.635 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.268 -12.515 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.185 -12.966 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.060 -12.527 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.072 -11.383 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.550 -13.093 -1.488 1.00 0.00 H new