USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 73 ASN : amide:sc= -0.513 K(o=-0.51,f=-3.8!) USER MOD Set 1.2: A 85 TYR OH : rot 136:sc= 0.00605 USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.415 K(o=-0.42,f=-1) USER MOD Single : A 10 GLN : amide:sc= -2.55! C(o=-2.6!,f=-10!) USER MOD Single : A 15 CYS SG : rot 130:sc= -2.51 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0728) USER MOD Single : A 22 GLN : amide:sc=-0.00193 X(o=-0.0019,f=-0.0019) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.174 USER MOD Single : A 36 ASN : amide:sc= 0.506 K(o=0.51,f=-6.9!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.198 F(o=-1,f=-0.2) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.0115 (180deg=-0.638) USER MOD Single : A 46 THR OG1 : rot -140:sc= -1.02 USER MOD Single : A 47 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -51:sc= 0.402 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -47:sc= 0.918 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.192 13.453 -2.943 1.00 0.00 N ATOM 78 CA HIS A 6 -4.939 12.264 -3.354 1.00 0.00 C ATOM 79 C HIS A 6 -4.021 11.045 -3.463 1.00 0.00 C ATOM 80 O HIS A 6 -3.124 11.004 -4.308 1.00 0.00 O ATOM 81 CB HIS A 6 -5.669 12.511 -4.687 1.00 0.00 C ATOM 82 CG HIS A 6 -4.766 12.760 -5.861 1.00 0.00 C ATOM 83 ND1 HIS A 6 -3.805 13.752 -5.887 1.00 0.00 N ATOM 84 CD2 HIS A 6 -4.691 12.140 -7.062 1.00 0.00 C ATOM 85 CE1 HIS A 6 -3.183 13.729 -7.051 1.00 0.00 C ATOM 86 NE2 HIS A 6 -3.701 12.762 -7.782 1.00 0.00 N ATOM 0 HA HIS A 6 -5.684 12.058 -2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.298 11.648 -4.906 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.333 13.367 -4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -3.607 14.401 -5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.298 11.310 -7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.385 14.391 -7.353 1.00 0.00 H new ATOM 95 N ILE A 7 -4.251 10.050 -2.606 1.00 0.00 N ATOM 96 CA ILE A 7 -3.443 8.830 -2.612 1.00 0.00 C ATOM 97 C ILE A 7 -4.012 7.810 -3.601 1.00 0.00 C ATOM 98 O ILE A 7 -5.204 7.831 -3.905 1.00 0.00 O ATOM 99 CB ILE A 7 -3.362 8.190 -1.202 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.898 9.222 -0.165 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.427 6.988 -1.206 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.487 9.729 -0.390 1.00 0.00 C ATOM 0 H ILE A 7 -4.988 10.064 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.437 9.113 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.360 7.848 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.584 10.069 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.959 8.777 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.386 6.556 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.797 6.242 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.428 7.305 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.233 10.454 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.789 8.893 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.423 10.205 -1.369 1.00 0.00 H new ATOM 114 N THR A 8 -3.154 6.923 -4.104 1.00 0.00 N ATOM 115 CA THR A 8 -3.579 5.901 -5.060 1.00 0.00 C ATOM 116 C THR A 8 -3.294 4.495 -4.526 1.00 0.00 C ATOM 117 O THR A 8 -2.192 3.972 -4.692 1.00 0.00 O ATOM 118 CB THR A 8 -2.869 6.109 -6.402 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.078 7.424 -6.891 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.317 5.141 -7.474 1.00 0.00 C ATOM 0 H THR A 8 -2.163 6.891 -3.866 1.00 0.00 H new ATOM 0 HA THR A 8 -4.655 5.997 -5.205 1.00 0.00 H new ATOM 0 HB THR A 8 -1.813 5.933 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.614 7.532 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.775 5.344 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.113 4.120 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.386 5.260 -7.648 1.00 0.00 H new ATOM 128 N VAL A 9 -4.297 3.893 -3.884 1.00 0.00 N ATOM 129 CA VAL A 9 -4.155 2.549 -3.326 1.00 0.00 C ATOM 130 C VAL A 9 -5.135 1.569 -3.973 1.00 0.00 C ATOM 131 O VAL A 9 -6.344 1.638 -3.747 1.00 0.00 O ATOM 132 CB VAL A 9 -4.351 2.548 -1.790 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.750 3.018 -1.408 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.063 1.169 -1.210 1.00 0.00 C ATOM 0 H VAL A 9 -5.214 4.315 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.139 2.222 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.638 3.254 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.854 3.005 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.906 4.032 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.491 2.353 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.207 1.191 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.742 0.440 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.034 0.888 -1.433 1.00 0.00 H new ATOM 144 N GLN A 10 -4.604 0.656 -4.785 1.00 0.00 N ATOM 145 CA GLN A 10 -5.435 -0.334 -5.466 1.00 0.00 C ATOM 146 C GLN A 10 -4.838 -1.736 -5.361 1.00 0.00 C ATOM 147 O GLN A 10 -3.652 -1.899 -5.060 1.00 0.00 O ATOM 148 CB GLN A 10 -5.620 0.048 -6.935 1.00 0.00 C ATOM 149 CG GLN A 10 -4.318 0.319 -7.670 1.00 0.00 C ATOM 150 CD GLN A 10 -4.059 1.797 -7.880 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.602 2.641 -7.167 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.226 2.120 -8.865 1.00 0.00 N ATOM 0 H GLN A 10 -3.607 0.582 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.407 -0.345 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.153 -0.755 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.250 0.936 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.491 -0.114 -7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.341 -0.182 -8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.798 1.388 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.015 3.100 -9.054 1.00 0.00 H new ATOM 161 N PHE A 11 -5.672 -2.745 -5.615 1.00 0.00 N ATOM 162 CA PHE A 11 -5.239 -4.137 -5.557 1.00 0.00 C ATOM 163 C PHE A 11 -5.471 -4.841 -6.892 1.00 0.00 C ATOM 164 O PHE A 11 -6.374 -4.480 -7.648 1.00 0.00 O ATOM 165 CB PHE A 11 -5.977 -4.880 -4.441 1.00 0.00 C ATOM 166 CG PHE A 11 -5.708 -4.320 -3.070 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.557 -4.664 -2.380 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.605 -3.447 -2.475 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.303 -4.146 -1.125 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.358 -2.927 -1.219 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.205 -3.276 -0.542 1.00 0.00 C ATOM 0 H PHE A 11 -6.654 -2.621 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.170 -4.146 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.049 -4.843 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.686 -5.930 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.850 -5.346 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.508 -3.170 -2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.400 -4.421 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.066 -2.248 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.009 -2.870 0.440 1.00 0.00 H new ATOM 181 N ALA A 12 -4.647 -5.847 -7.168 1.00 0.00 N ATOM 182 CA ALA A 12 -4.745 -6.614 -8.409 1.00 0.00 C ATOM 183 C ALA A 12 -3.904 -7.887 -8.334 1.00 0.00 C ATOM 184 O ALA A 12 -3.176 -8.105 -7.363 1.00 0.00 O ATOM 185 CB ALA A 12 -4.310 -5.761 -9.595 1.00 0.00 C ATOM 0 H ALA A 12 -3.899 -6.153 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.787 -6.903 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.388 -6.345 -10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.953 -4.884 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.277 -5.443 -9.455 1.00 0.00 H new ATOM 191 N GLY A 13 -4.009 -8.725 -9.368 1.00 0.00 N ATOM 192 CA GLY A 13 -3.254 -9.969 -9.406 1.00 0.00 C ATOM 193 C GLY A 13 -3.572 -10.891 -8.238 1.00 0.00 C ATOM 194 O GLY A 13 -2.706 -11.630 -7.775 1.00 0.00 O ATOM 0 H GLY A 13 -4.604 -8.563 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.466 -10.488 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.188 -9.741 -9.403 1.00 0.00 H new ATOM 198 N GLY A 14 -4.817 -10.841 -7.764 1.00 0.00 N ATOM 199 CA GLY A 14 -5.226 -11.676 -6.646 1.00 0.00 C ATOM 200 C GLY A 14 -4.884 -11.073 -5.289 1.00 0.00 C ATOM 201 O GLY A 14 -4.708 -11.808 -4.315 1.00 0.00 O ATOM 0 H GLY A 14 -5.550 -10.236 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.302 -11.844 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.746 -12.651 -6.734 1.00 0.00 H new ATOM 205 N CYS A 15 -4.798 -9.739 -5.218 1.00 0.00 N ATOM 206 CA CYS A 15 -4.484 -9.056 -3.959 1.00 0.00 C ATOM 207 C CYS A 15 -5.708 -8.335 -3.391 1.00 0.00 C ATOM 208 O CYS A 15 -5.775 -8.074 -2.188 1.00 0.00 O ATOM 209 CB CYS A 15 -3.341 -8.059 -4.155 1.00 0.00 C ATOM 210 SG CYS A 15 -2.293 -7.841 -2.696 1.00 0.00 S ATOM 0 H CYS A 15 -4.941 -9.115 -6.012 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.174 -9.819 -3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.721 -8.392 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.760 -7.093 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.044 -7.966 -3.036 1.00 0.00 H new ATOM 216 N GLU A 16 -6.673 -8.013 -4.256 1.00 0.00 N ATOM 217 CA GLU A 16 -7.894 -7.323 -3.831 1.00 0.00 C ATOM 218 C GLU A 16 -8.637 -8.118 -2.753 1.00 0.00 C ATOM 219 O GLU A 16 -9.343 -7.540 -1.924 1.00 0.00 O ATOM 220 CB GLU A 16 -8.809 -7.085 -5.035 1.00 0.00 C ATOM 221 CG GLU A 16 -9.194 -8.360 -5.777 1.00 0.00 C ATOM 222 CD GLU A 16 -8.813 -8.328 -7.246 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.636 -8.034 -7.553 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.691 -8.601 -8.092 1.00 0.00 O ATOM 0 H GLU A 16 -6.633 -8.219 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.607 -6.363 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.716 -6.585 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.312 -6.408 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.710 -9.212 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.269 -8.514 -5.689 1.00 0.00 H new ATOM 231 N LEU A 17 -8.465 -9.443 -2.763 1.00 0.00 N ATOM 232 CA LEU A 17 -9.112 -10.311 -1.780 1.00 0.00 C ATOM 233 C LEU A 17 -8.603 -10.044 -0.355 1.00 0.00 C ATOM 234 O LEU A 17 -9.181 -10.542 0.610 1.00 0.00 O ATOM 235 CB LEU A 17 -8.894 -11.783 -2.141 1.00 0.00 C ATOM 236 CG LEU A 17 -9.755 -12.307 -3.294 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.965 -12.306 -4.597 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.275 -13.703 -2.978 1.00 0.00 C ATOM 0 H LEU A 17 -7.884 -9.936 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.178 -10.085 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.845 -11.926 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.090 -12.390 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.611 -11.643 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.594 -12.682 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.646 -11.290 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.089 -12.946 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.885 -14.060 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.434 -14.379 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.879 -13.670 -2.071 1.00 0.00 H new ATOM 250 N LEU A 18 -7.527 -9.257 -0.224 1.00 0.00 N ATOM 251 CA LEU A 18 -6.964 -8.937 1.091 1.00 0.00 C ATOM 252 C LEU A 18 -7.698 -7.762 1.763 1.00 0.00 C ATOM 253 O LEU A 18 -7.213 -7.209 2.748 1.00 0.00 O ATOM 254 CB LEU A 18 -5.470 -8.617 0.969 1.00 0.00 C ATOM 255 CG LEU A 18 -4.609 -9.733 0.362 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.139 -9.336 0.368 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.817 -11.039 1.118 1.00 0.00 C ATOM 0 H LEU A 18 -7.032 -8.833 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.097 -9.816 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.356 -7.720 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.083 -8.381 1.960 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.918 -9.884 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.543 -10.139 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.005 -8.427 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.815 -9.157 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.199 -11.819 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.536 -10.904 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.866 -11.330 1.060 1.00 0.00 H new ATOM 269 N PHE A 19 -8.868 -7.394 1.231 1.00 0.00 N ATOM 270 CA PHE A 19 -9.664 -6.299 1.782 1.00 0.00 C ATOM 271 C PHE A 19 -11.143 -6.589 1.561 1.00 0.00 C ATOM 272 O PHE A 19 -11.871 -6.896 2.505 1.00 0.00 O ATOM 273 CB PHE A 19 -9.261 -4.965 1.129 1.00 0.00 C ATOM 274 CG PHE A 19 -10.033 -3.767 1.625 1.00 0.00 C ATOM 275 CD1 PHE A 19 -11.315 -3.506 1.162 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.469 -2.898 2.545 1.00 0.00 C ATOM 277 CE1 PHE A 19 -12.018 -2.405 1.611 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.169 -1.795 2.997 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.445 -1.548 2.530 1.00 0.00 C ATOM 0 H PHE A 19 -9.284 -7.843 0.415 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.478 -6.217 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.199 -4.795 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.396 -5.047 0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.768 -4.171 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.471 -3.085 2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.015 -2.214 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.718 -1.126 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.993 -0.687 2.883 1.00 0.00 H new ATOM 289 N ALA A 20 -11.575 -6.506 0.306 1.00 0.00 N ATOM 290 CA ALA A 20 -12.962 -6.774 -0.052 1.00 0.00 C ATOM 291 C ALA A 20 -13.135 -6.825 -1.569 1.00 0.00 C ATOM 292 O ALA A 20 -14.139 -6.354 -2.107 1.00 0.00 O ATOM 293 CB ALA A 20 -13.876 -5.721 0.564 1.00 0.00 C ATOM 0 H ALA A 20 -10.980 -6.254 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.239 -7.750 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.910 -5.931 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.777 -5.743 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.596 -4.735 0.194 1.00 0.00 H new ATOM 299 N LYS A 21 -12.140 -7.401 -2.255 1.00 0.00 N ATOM 300 CA LYS A 21 -12.164 -7.518 -3.713 1.00 0.00 C ATOM 301 C LYS A 21 -12.423 -6.158 -4.373 1.00 0.00 C ATOM 302 O LYS A 21 -13.069 -6.074 -5.420 1.00 0.00 O ATOM 303 CB LYS A 21 -13.221 -8.540 -4.144 1.00 0.00 C ATOM 304 CG LYS A 21 -13.113 -9.870 -3.408 1.00 0.00 C ATOM 305 CD LYS A 21 -14.053 -9.928 -2.210 1.00 0.00 C ATOM 306 CE LYS A 21 -14.778 -11.263 -2.124 1.00 0.00 C ATOM 307 NZ LYS A 21 -13.831 -12.413 -2.047 1.00 0.00 N ATOM 0 H LYS A 21 -11.306 -7.794 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.186 -7.866 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.212 -8.119 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.128 -8.718 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.346 -10.685 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.086 -10.018 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.485 -9.763 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.783 -9.122 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.425 -11.268 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.422 -11.382 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.355 -13.278 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.362 -12.539 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.115 -12.225 -1.316 1.00 0.00 H new ATOM 321 N GLN A 22 -11.906 -5.094 -3.750 1.00 0.00 N ATOM 322 CA GLN A 22 -12.072 -3.738 -4.265 1.00 0.00 C ATOM 323 C GLN A 22 -11.126 -3.476 -5.435 1.00 0.00 C ATOM 324 O GLN A 22 -10.334 -4.341 -5.813 1.00 0.00 O ATOM 325 CB GLN A 22 -11.817 -2.719 -3.151 1.00 0.00 C ATOM 326 CG GLN A 22 -13.086 -2.186 -2.511 1.00 0.00 C ATOM 327 CD GLN A 22 -13.815 -1.191 -3.396 1.00 0.00 C ATOM 328 OE1 GLN A 22 -14.886 -1.485 -3.928 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.237 -0.006 -3.562 1.00 0.00 N ATOM 0 H GLN A 22 -11.368 -5.150 -2.885 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.096 -3.634 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.199 -3.182 -2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.247 -1.884 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.751 -3.019 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.837 -1.709 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.349 0.197 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.681 0.700 -4.148 1.00 0.00 H new ATOM 338 N THR A 23 -11.214 -2.275 -6.007 1.00 0.00 N ATOM 339 CA THR A 23 -10.362 -1.905 -7.132 1.00 0.00 C ATOM 340 C THR A 23 -9.289 -0.906 -6.698 1.00 0.00 C ATOM 341 O THR A 23 -8.132 -1.279 -6.516 1.00 0.00 O ATOM 342 CB THR A 23 -11.207 -1.332 -8.279 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.038 -0.279 -7.818 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.103 -2.363 -8.936 1.00 0.00 C ATOM 0 H THR A 23 -11.864 -1.547 -5.710 1.00 0.00 H new ATOM 0 HA THR A 23 -9.859 -2.803 -7.490 1.00 0.00 H new ATOM 0 HB THR A 23 -10.486 -0.974 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.566 0.072 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.672 -1.892 -9.738 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.492 -3.166 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.790 -2.773 -8.196 1.00 0.00 H new ATOM 352 N SER A 24 -9.676 0.360 -6.527 1.00 0.00 N ATOM 353 CA SER A 24 -8.738 1.403 -6.112 1.00 0.00 C ATOM 354 C SER A 24 -9.350 2.310 -5.046 1.00 0.00 C ATOM 355 O SER A 24 -10.568 2.312 -4.844 1.00 0.00 O ATOM 356 CB SER A 24 -8.305 2.237 -7.322 1.00 0.00 C ATOM 357 OG SER A 24 -9.388 2.987 -7.845 1.00 0.00 O ATOM 0 H SER A 24 -10.632 0.687 -6.670 1.00 0.00 H new ATOM 0 HA SER A 24 -7.865 0.914 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.499 2.911 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.908 1.580 -8.096 1.00 0.00 H new ATOM 0 HG SER A 24 -9.082 3.510 -8.615 1.00 0.00 H new ATOM 363 N LEU A 25 -8.498 3.080 -4.366 1.00 0.00 N ATOM 364 CA LEU A 25 -8.956 3.993 -3.317 1.00 0.00 C ATOM 365 C LEU A 25 -8.067 5.234 -3.235 1.00 0.00 C ATOM 366 O LEU A 25 -6.877 5.181 -3.551 1.00 0.00 O ATOM 367 CB LEU A 25 -8.979 3.275 -1.964 1.00 0.00 C ATOM 368 CG LEU A 25 -10.326 2.654 -1.585 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.129 1.263 -1.002 1.00 0.00 C ATOM 370 CD2 LEU A 25 -11.068 3.549 -0.599 1.00 0.00 C ATOM 0 H LEU A 25 -7.490 3.090 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.966 4.315 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.223 2.489 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.692 3.984 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.929 2.564 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.098 0.838 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.641 0.625 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.507 1.327 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.023 3.092 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.469 3.672 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.243 4.524 -1.054 1.00 0.00 H new ATOM 382 N GLN A 26 -8.658 6.351 -2.803 1.00 0.00 N ATOM 383 CA GLN A 26 -7.931 7.609 -2.674 1.00 0.00 C ATOM 384 C GLN A 26 -8.211 8.263 -1.323 1.00 0.00 C ATOM 385 O GLN A 26 -9.317 8.750 -1.074 1.00 0.00 O ATOM 386 CB GLN A 26 -8.313 8.562 -3.810 1.00 0.00 C ATOM 387 CG GLN A 26 -7.942 8.050 -5.196 1.00 0.00 C ATOM 388 CD GLN A 26 -8.856 8.590 -6.281 1.00 0.00 C ATOM 389 OE1 GLN A 26 -10.065 8.361 -6.259 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.284 9.316 -7.236 1.00 0.00 N ATOM 0 H GLN A 26 -9.641 6.406 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.864 7.393 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.388 8.741 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.824 9.522 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.913 8.331 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.983 6.961 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.278 9.482 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.851 9.707 -7.988 1.00 0.00 H new ATOM 399 N LEU A 27 -7.201 8.266 -0.455 1.00 0.00 N ATOM 400 CA LEU A 27 -7.325 8.854 0.876 1.00 0.00 C ATOM 401 C LEU A 27 -6.748 10.269 0.897 1.00 0.00 C ATOM 402 O LEU A 27 -5.725 10.539 0.263 1.00 0.00 O ATOM 403 CB LEU A 27 -6.603 7.982 1.911 1.00 0.00 C ATOM 404 CG LEU A 27 -6.984 6.496 1.897 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.779 5.630 2.238 1.00 0.00 C ATOM 406 CD2 LEU A 27 -8.126 6.227 2.867 1.00 0.00 C ATOM 0 H LEU A 27 -6.284 7.866 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.384 8.905 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.529 8.066 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.806 8.383 2.904 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.318 6.238 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.070 4.580 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.990 5.799 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.413 5.891 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.382 5.168 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.819 6.503 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.996 6.817 2.578 1.00 0.00 H new ATOM 504 N THR A 35 6.032 11.117 6.833 1.00 0.00 N ATOM 505 CA THR A 35 5.433 9.805 6.605 1.00 0.00 C ATOM 506 C THR A 35 6.058 9.132 5.382 1.00 0.00 C ATOM 507 O THR A 35 5.907 9.608 4.256 1.00 0.00 O ATOM 508 CB THR A 35 3.916 9.937 6.417 1.00 0.00 C ATOM 509 OG1 THR A 35 3.339 10.706 7.461 1.00 0.00 O ATOM 510 CG2 THR A 35 3.198 8.605 6.378 1.00 0.00 C ATOM 0 HA THR A 35 5.627 9.184 7.479 1.00 0.00 H new ATOM 0 HB THR A 35 3.791 10.429 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.961 11.415 7.727 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.129 8.772 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.580 8.010 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.367 8.073 7.314 1.00 0.00 H new ATOM 518 N ASN A 36 6.757 8.023 5.616 1.00 0.00 N ATOM 519 CA ASN A 36 7.407 7.275 4.539 1.00 0.00 C ATOM 520 C ASN A 36 6.564 6.060 4.142 1.00 0.00 C ATOM 521 O ASN A 36 5.416 5.931 4.571 1.00 0.00 O ATOM 522 CB ASN A 36 8.818 6.845 4.968 1.00 0.00 C ATOM 523 CG ASN A 36 8.813 5.856 6.122 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.787 4.643 5.909 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.839 6.366 7.349 1.00 0.00 N ATOM 0 H ASN A 36 6.889 7.621 6.544 1.00 0.00 H new ATOM 0 HA ASN A 36 7.495 7.923 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.330 6.398 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.389 7.728 5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.838 5.746 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.860 7.377 7.481 1.00 0.00 H new ATOM 532 N LEU A 37 7.128 5.177 3.315 1.00 0.00 N ATOM 533 CA LEU A 37 6.412 3.982 2.864 1.00 0.00 C ATOM 534 C LEU A 37 5.903 3.158 4.042 1.00 0.00 C ATOM 535 O LEU A 37 4.764 2.692 4.028 1.00 0.00 O ATOM 536 CB LEU A 37 7.304 3.120 1.971 1.00 0.00 C ATOM 537 CG LEU A 37 6.565 2.066 1.140 1.00 0.00 C ATOM 538 CD1 LEU A 37 7.079 2.062 -0.291 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.708 0.686 1.772 1.00 0.00 C ATOM 0 H LEU A 37 8.074 5.266 2.945 1.00 0.00 H new ATOM 0 HA LEU A 37 5.551 4.318 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.855 3.774 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.040 2.616 2.597 1.00 0.00 H new ATOM 0 HG LEU A 37 5.505 2.321 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.544 1.308 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.918 3.043 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.145 1.833 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.176 -0.048 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.763 0.417 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.287 0.701 2.777 1.00 0.00 H new ATOM 551 N ASN A 38 6.743 2.995 5.066 1.00 0.00 N ATOM 552 CA ASN A 38 6.359 2.240 6.258 1.00 0.00 C ATOM 553 C ASN A 38 5.097 2.843 6.869 1.00 0.00 C ATOM 554 O ASN A 38 4.212 2.122 7.335 1.00 0.00 O ATOM 555 CB ASN A 38 7.494 2.239 7.284 1.00 0.00 C ATOM 556 CG ASN A 38 7.167 1.412 8.512 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.187 0.092 8.365 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 6.897 1.954 9.585 1.00 0.00 N flip ATOM 0 H ASN A 38 7.689 3.374 5.093 1.00 0.00 H new ATOM 0 HA ASN A 38 6.158 1.209 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.400 1.850 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.707 3.264 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.893 2.972 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.678 1.385 10.403 1.00 0.00 H new ATOM 565 N GLY A 39 5.017 4.174 6.837 1.00 0.00 N ATOM 566 CA GLY A 39 3.861 4.869 7.360 1.00 0.00 C ATOM 567 C GLY A 39 2.671 4.778 6.422 1.00 0.00 C ATOM 568 O GLY A 39 1.527 4.701 6.874 1.00 0.00 O ATOM 0 H GLY A 39 5.741 4.782 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.592 4.448 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.112 5.916 7.527 1.00 0.00 H new ATOM 572 N LEU A 40 2.938 4.774 5.111 1.00 0.00 N ATOM 573 CA LEU A 40 1.875 4.680 4.114 1.00 0.00 C ATOM 574 C LEU A 40 1.121 3.359 4.254 1.00 0.00 C ATOM 575 O LEU A 40 -0.106 3.345 4.357 1.00 0.00 O ATOM 576 CB LEU A 40 2.448 4.815 2.698 1.00 0.00 C ATOM 577 CG LEU A 40 1.410 5.008 1.586 1.00 0.00 C ATOM 578 CD1 LEU A 40 0.566 6.246 1.849 1.00 0.00 C ATOM 579 CD2 LEU A 40 2.096 5.099 0.228 1.00 0.00 C ATOM 0 H LEU A 40 3.878 4.835 4.721 1.00 0.00 H new ATOM 0 HA LEU A 40 1.176 5.499 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.135 5.661 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.034 3.923 2.475 1.00 0.00 H new ATOM 0 HG LEU A 40 0.748 4.142 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.164 6.365 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.047 6.137 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.210 7.124 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.345 5.236 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.782 5.946 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.652 4.181 0.039 1.00 0.00 H new ATOM 591 N VAL A 41 1.868 2.252 4.268 1.00 0.00 N ATOM 592 CA VAL A 41 1.264 0.928 4.407 1.00 0.00 C ATOM 593 C VAL A 41 0.474 0.823 5.709 1.00 0.00 C ATOM 594 O VAL A 41 -0.721 0.543 5.686 1.00 0.00 O ATOM 595 CB VAL A 41 2.305 -0.220 4.347 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.567 -0.622 2.904 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.605 0.159 5.047 1.00 0.00 C ATOM 0 H VAL A 41 2.885 2.247 4.185 1.00 0.00 H new ATOM 0 HA VAL A 41 0.593 0.814 3.556 1.00 0.00 H new ATOM 0 HB VAL A 41 1.887 -1.075 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.300 -1.429 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.638 -0.961 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.952 0.235 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.308 -0.671 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.035 1.037 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.402 0.383 6.094 1.00 0.00 H new ATOM 607 N GLN A 42 1.145 1.057 6.839 1.00 0.00 N ATOM 608 CA GLN A 42 0.492 0.995 8.151 1.00 0.00 C ATOM 609 C GLN A 42 -0.785 1.843 8.177 1.00 0.00 C ATOM 610 O GLN A 42 -1.747 1.502 8.868 1.00 0.00 O ATOM 611 CB GLN A 42 1.451 1.461 9.251 1.00 0.00 C ATOM 612 CG GLN A 42 1.638 0.442 10.367 1.00 0.00 C ATOM 613 CD GLN A 42 2.334 1.021 11.585 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.890 2.019 12.153 1.00 0.00 O ATOM 615 NE2 GLN A 42 3.429 0.389 11.999 1.00 0.00 N ATOM 0 H GLN A 42 2.137 1.291 6.873 1.00 0.00 H new ATOM 0 HA GLN A 42 0.217 -0.044 8.335 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.421 1.683 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.076 2.391 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.664 0.052 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.218 -0.400 9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.762 -0.435 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.935 0.728 12.817 1.00 0.00 H new ATOM 624 N LEU A 43 -0.788 2.944 7.419 1.00 0.00 N ATOM 625 CA LEU A 43 -1.947 3.836 7.355 1.00 0.00 C ATOM 626 C LEU A 43 -3.122 3.191 6.608 1.00 0.00 C ATOM 627 O LEU A 43 -4.277 3.526 6.865 1.00 0.00 O ATOM 628 CB LEU A 43 -1.561 5.156 6.677 1.00 0.00 C ATOM 629 CG LEU A 43 -2.598 6.282 6.784 1.00 0.00 C ATOM 630 CD1 LEU A 43 -1.910 7.639 6.802 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.597 6.205 5.636 1.00 0.00 C ATOM 0 H LEU A 43 -0.000 3.238 6.842 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.268 4.031 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.624 5.506 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.371 4.960 5.622 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.143 6.158 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.660 8.426 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.237 7.695 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.339 7.770 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.323 7.012 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.069 6.302 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.114 5.246 5.667 1.00 0.00 H new ATOM 643 N LEU A 44 -2.832 2.277 5.676 1.00 0.00 N ATOM 644 CA LEU A 44 -3.887 1.618 4.905 1.00 0.00 C ATOM 645 C LEU A 44 -4.262 0.250 5.485 1.00 0.00 C ATOM 646 O LEU A 44 -5.440 -0.097 5.526 1.00 0.00 O ATOM 647 CB LEU A 44 -3.488 1.493 3.425 1.00 0.00 C ATOM 648 CG LEU A 44 -2.565 0.318 3.067 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.373 -0.956 2.844 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.742 0.651 1.829 1.00 0.00 C ATOM 0 H LEU A 44 -1.885 1.980 5.440 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.773 2.249 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.398 1.407 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.997 2.418 3.123 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.886 0.148 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.699 -1.775 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.920 -1.204 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.078 -0.801 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.093 -0.190 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.410 0.847 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.134 1.535 2.023 1.00 0.00 H new ATOM 662 N LYS A 45 -3.268 -0.533 5.915 1.00 0.00 N ATOM 663 CA LYS A 45 -3.535 -1.864 6.467 1.00 0.00 C ATOM 664 C LYS A 45 -3.946 -1.805 7.941 1.00 0.00 C ATOM 665 O LYS A 45 -5.076 -2.148 8.281 1.00 0.00 O ATOM 666 CB LYS A 45 -2.326 -2.795 6.283 1.00 0.00 C ATOM 667 CG LYS A 45 -0.970 -2.111 6.382 1.00 0.00 C ATOM 668 CD LYS A 45 0.112 -3.062 6.866 1.00 0.00 C ATOM 669 CE LYS A 45 1.337 -2.303 7.354 1.00 0.00 C ATOM 670 NZ LYS A 45 2.600 -3.046 7.084 1.00 0.00 N ATOM 0 H LYS A 45 -2.282 -0.272 5.892 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.376 -2.273 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.375 -3.583 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.403 -3.278 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.693 -1.712 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.040 -1.264 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.280 -3.682 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.397 -3.735 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.378 -1.329 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.247 -2.119 8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.380 -2.370 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.812 -3.674 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.491 -3.614 6.219 1.00 0.00 H new ATOM 684 N THR A 46 -3.040 -1.374 8.815 1.00 0.00 N ATOM 685 CA THR A 46 -3.347 -1.288 10.246 1.00 0.00 C ATOM 686 C THR A 46 -4.575 -0.407 10.513 1.00 0.00 C ATOM 687 O THR A 46 -5.238 -0.559 11.542 1.00 0.00 O ATOM 688 CB THR A 46 -2.138 -0.764 11.030 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.964 -1.471 10.665 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.293 -0.888 12.531 1.00 0.00 C ATOM 0 H THR A 46 -2.096 -1.081 8.564 1.00 0.00 H new ATOM 0 HA THR A 46 -3.580 -2.296 10.588 1.00 0.00 H new ATOM 0 HB THR A 46 -2.066 0.293 10.775 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.422 -1.639 11.464 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.401 -0.498 13.022 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.164 -0.318 12.855 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.425 -1.937 12.798 1.00 0.00 H new ATOM 698 N ASN A 47 -4.879 0.507 9.586 1.00 0.00 N ATOM 699 CA ASN A 47 -6.030 1.394 9.735 1.00 0.00 C ATOM 700 C ASN A 47 -7.270 0.828 9.035 1.00 0.00 C ATOM 701 O ASN A 47 -8.377 0.916 9.568 1.00 0.00 O ATOM 702 CB ASN A 47 -5.701 2.782 9.181 1.00 0.00 C ATOM 703 CG ASN A 47 -6.077 3.904 10.138 1.00 0.00 C ATOM 704 OD1 ASN A 47 -6.340 3.668 11.318 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.105 5.132 9.633 1.00 0.00 N ATOM 0 H ASN A 47 -4.345 0.649 8.729 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.254 1.474 10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.634 2.838 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.226 2.925 8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.351 5.923 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.880 5.284 8.650 1.00 0.00 H new ATOM 712 N TYR A 48 -7.088 0.259 7.837 1.00 0.00 N ATOM 713 CA TYR A 48 -8.208 -0.302 7.078 1.00 0.00 C ATOM 714 C TYR A 48 -7.768 -1.473 6.190 1.00 0.00 C ATOM 715 O TYR A 48 -7.918 -1.431 4.967 1.00 0.00 O ATOM 716 CB TYR A 48 -8.859 0.791 6.223 1.00 0.00 C ATOM 717 CG TYR A 48 -10.358 0.879 6.381 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.187 -0.139 5.926 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.946 1.982 6.986 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.559 -0.059 6.067 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.317 2.070 7.132 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.117 1.048 6.671 1.00 0.00 C ATOM 723 OH TYR A 48 -14.484 1.132 6.811 1.00 0.00 O ATOM 0 H TYR A 48 -6.182 0.176 7.376 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.934 -0.687 7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.419 1.753 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.624 0.607 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.752 -1.007 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.321 2.785 7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.190 -0.858 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.759 2.935 7.605 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.716 1.973 7.257 1.00 0.00 H new ATOM 733 N VAL A 49 -7.226 -2.520 6.808 1.00 0.00 N ATOM 734 CA VAL A 49 -6.773 -3.699 6.062 1.00 0.00 C ATOM 735 C VAL A 49 -7.942 -4.606 5.679 1.00 0.00 C ATOM 736 O VAL A 49 -7.932 -5.217 4.610 1.00 0.00 O ATOM 737 CB VAL A 49 -5.723 -4.519 6.855 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.236 -4.895 8.240 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.304 -5.761 6.077 1.00 0.00 C ATOM 0 H VAL A 49 -7.089 -2.579 7.817 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.304 -3.322 5.153 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.845 -3.887 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.474 -5.469 8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.462 -3.989 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.140 -5.496 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.567 -6.320 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.176 -6.389 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.869 -5.463 5.123 1.00 0.00 H new ATOM 749 N LYS A 50 -8.937 -4.697 6.562 1.00 0.00 N ATOM 750 CA LYS A 50 -10.110 -5.542 6.332 1.00 0.00 C ATOM 751 C LYS A 50 -9.728 -7.030 6.277 1.00 0.00 C ATOM 752 O LYS A 50 -10.547 -7.873 5.908 1.00 0.00 O ATOM 753 CB LYS A 50 -10.826 -5.122 5.041 1.00 0.00 C ATOM 754 CG LYS A 50 -12.220 -4.563 5.278 1.00 0.00 C ATOM 755 CD LYS A 50 -13.272 -5.319 4.485 1.00 0.00 C ATOM 756 CE LYS A 50 -14.666 -5.089 5.048 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.717 -5.771 4.244 1.00 0.00 N ATOM 0 H LYS A 50 -8.954 -4.193 7.448 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.791 -5.405 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.224 -4.372 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.896 -5.983 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.457 -4.616 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.242 -3.510 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.242 -5.001 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.044 -6.385 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.705 -5.451 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.872 -4.019 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.650 -5.587 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.699 -5.408 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.537 -6.795 4.235 1.00 0.00 H new ATOM 771 N GLU A 51 -8.484 -7.344 6.658 1.00 0.00 N ATOM 772 CA GLU A 51 -7.987 -8.718 6.665 1.00 0.00 C ATOM 773 C GLU A 51 -6.861 -8.863 7.695 1.00 0.00 C ATOM 774 O GLU A 51 -6.589 -7.931 8.455 1.00 0.00 O ATOM 775 CB GLU A 51 -7.485 -9.109 5.268 1.00 0.00 C ATOM 776 CG GLU A 51 -7.939 -10.491 4.815 1.00 0.00 C ATOM 777 CD GLU A 51 -9.447 -10.648 4.841 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.108 -10.214 3.872 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.969 -11.202 5.832 1.00 0.00 O ATOM 0 H GLU A 51 -7.800 -6.654 6.968 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.803 -9.386 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.832 -8.369 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.396 -9.074 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.576 -10.675 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.488 -11.246 5.458 1.00 0.00 H new ATOM 786 N ARG A 52 -6.206 -10.025 7.721 1.00 0.00 N ATOM 787 CA ARG A 52 -5.110 -10.262 8.663 1.00 0.00 C ATOM 788 C ARG A 52 -3.901 -9.389 8.321 1.00 0.00 C ATOM 789 O ARG A 52 -3.521 -9.277 7.157 1.00 0.00 O ATOM 790 CB ARG A 52 -4.695 -11.738 8.656 1.00 0.00 C ATOM 791 CG ARG A 52 -5.467 -12.598 9.644 1.00 0.00 C ATOM 792 CD ARG A 52 -4.747 -12.708 10.980 1.00 0.00 C ATOM 793 NE ARG A 52 -4.948 -14.015 11.606 1.00 0.00 N ATOM 794 CZ ARG A 52 -6.103 -14.414 12.151 1.00 0.00 C ATOM 795 NH1 ARG A 52 -7.162 -13.607 12.155 1.00 0.00 N ATOM 796 NH2 ARG A 52 -6.198 -15.625 12.694 1.00 0.00 N ATOM 0 H ARG A 52 -6.413 -10.812 7.106 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.467 -9.999 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.834 -12.140 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.631 -11.808 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.458 -12.172 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.610 -13.594 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.681 -12.537 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.105 -11.926 11.650 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.159 -14.662 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.096 -12.677 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.039 -13.919 12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.391 -16.248 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.078 -15.930 13.110 1.00 0.00 H new ATOM 810 N PRO A 53 -3.273 -8.760 9.332 1.00 0.00 N ATOM 811 CA PRO A 53 -2.103 -7.907 9.117 1.00 0.00 C ATOM 812 C PRO A 53 -0.818 -8.707 8.893 1.00 0.00 C ATOM 813 O PRO A 53 0.139 -8.197 8.306 1.00 0.00 O ATOM 814 CB PRO A 53 -2.008 -7.108 10.414 1.00 0.00 C ATOM 815 CG PRO A 53 -2.596 -8.002 11.453 1.00 0.00 C ATOM 816 CD PRO A 53 -3.649 -8.829 10.760 1.00 0.00 C ATOM 0 HA PRO A 53 -2.211 -7.294 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.974 -6.855 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.557 -6.169 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.830 -8.640 11.894 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.032 -7.419 12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.653 -9.857 11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.648 -8.428 10.930 1.00 0.00 H new ATOM 824 N ASP A 54 -0.796 -9.954 9.372 1.00 0.00 N ATOM 825 CA ASP A 54 0.384 -10.810 9.232 1.00 0.00 C ATOM 826 C ASP A 54 0.352 -11.649 7.949 1.00 0.00 C ATOM 827 O ASP A 54 1.218 -12.505 7.750 1.00 0.00 O ATOM 828 CB ASP A 54 0.516 -11.730 10.448 1.00 0.00 C ATOM 829 CG ASP A 54 0.603 -10.963 11.755 1.00 0.00 C ATOM 830 OD1 ASP A 54 1.371 -9.978 11.819 1.00 0.00 O ATOM 831 OD2 ASP A 54 -0.096 -11.348 12.714 1.00 0.00 O ATOM 0 H ASP A 54 -1.579 -10.391 9.858 1.00 0.00 H new ATOM 0 HA ASP A 54 1.250 -10.151 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.340 -12.404 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.406 -12.350 10.335 1.00 0.00 H new ATOM 836 N LEU A 55 -0.628 -11.407 7.075 1.00 0.00 N ATOM 837 CA LEU A 55 -0.720 -12.153 5.823 1.00 0.00 C ATOM 838 C LEU A 55 0.063 -11.460 4.703 1.00 0.00 C ATOM 839 O LEU A 55 0.374 -12.083 3.686 1.00 0.00 O ATOM 840 CB LEU A 55 -2.185 -12.355 5.412 1.00 0.00 C ATOM 841 CG LEU A 55 -2.921 -11.104 4.921 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.628 -10.844 3.453 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.419 -11.256 5.142 1.00 0.00 C ATOM 0 H LEU A 55 -1.359 -10.709 7.210 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.272 -13.133 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.221 -13.107 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.729 -12.762 6.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.564 -10.249 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.162 -9.951 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.557 -10.696 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.955 -11.698 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.931 -10.361 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.782 -12.123 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.618 -11.393 6.205 1.00 0.00 H new ATOM 855 N LEU A 56 0.380 -10.173 4.891 1.00 0.00 N ATOM 856 CA LEU A 56 1.125 -9.415 3.886 1.00 0.00 C ATOM 857 C LEU A 56 2.531 -9.070 4.361 1.00 0.00 C ATOM 858 O LEU A 56 3.493 -9.224 3.609 1.00 0.00 O ATOM 859 CB LEU A 56 0.395 -8.122 3.499 1.00 0.00 C ATOM 860 CG LEU A 56 -0.191 -7.301 4.655 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.394 -5.856 4.225 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.507 -7.900 5.136 1.00 0.00 C ATOM 0 H LEU A 56 0.133 -9.640 5.725 1.00 0.00 H new ATOM 0 HA LEU A 56 1.198 -10.061 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.090 -7.489 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.415 -8.378 2.816 1.00 0.00 H new ATOM 0 HG LEU A 56 0.517 -7.326 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.810 -5.285 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.564 -5.426 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.081 -5.821 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.902 -7.300 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.224 -7.910 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.338 -8.920 5.482 1.00 0.00 H new ATOM 874 N VAL A 57 2.648 -8.589 5.598 1.00 0.00 N ATOM 875 CA VAL A 57 3.950 -8.210 6.145 1.00 0.00 C ATOM 876 C VAL A 57 4.937 -9.368 6.102 1.00 0.00 C ATOM 877 O VAL A 57 4.557 -10.536 6.218 1.00 0.00 O ATOM 878 CB VAL A 57 3.857 -7.691 7.594 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.202 -6.319 7.627 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.111 -8.677 8.483 1.00 0.00 C ATOM 0 H VAL A 57 1.864 -8.453 6.236 1.00 0.00 H new ATOM 0 HA VAL A 57 4.308 -7.401 5.509 1.00 0.00 H new ATOM 0 HB VAL A 57 4.869 -7.595 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.144 -5.968 8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.794 -5.619 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.197 -6.385 7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.061 -8.285 9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.101 -8.821 8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.637 -9.632 8.488 1.00 0.00 H new ATOM 890 N ASP A 58 6.208 -9.025 5.936 1.00 0.00 N ATOM 891 CA ASP A 58 7.276 -10.016 5.878 1.00 0.00 C ATOM 892 C ASP A 58 7.391 -10.757 7.209 1.00 0.00 C ATOM 893 O ASP A 58 7.333 -11.986 7.251 1.00 0.00 O ATOM 894 CB ASP A 58 8.602 -9.338 5.525 1.00 0.00 C ATOM 895 CG ASP A 58 9.670 -10.329 5.102 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.391 -11.161 4.211 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.784 -10.271 5.661 1.00 0.00 O ATOM 0 H ASP A 58 6.526 -8.061 5.838 1.00 0.00 H new ATOM 0 HA ASP A 58 7.037 -10.743 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.437 -8.622 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.957 -8.772 6.386 1.00 0.00 H new ATOM 902 N GLN A 59 7.535 -9.994 8.294 1.00 0.00 N ATOM 903 CA GLN A 59 7.635 -10.567 9.637 1.00 0.00 C ATOM 904 C GLN A 59 7.723 -9.477 10.704 1.00 0.00 C ATOM 905 O GLN A 59 7.064 -9.563 11.740 1.00 0.00 O ATOM 906 CB GLN A 59 8.844 -11.507 9.749 1.00 0.00 C ATOM 907 CG GLN A 59 8.469 -12.941 10.097 1.00 0.00 C ATOM 908 CD GLN A 59 9.676 -13.833 10.334 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.813 -13.455 10.049 1.00 0.00 O ATOM 910 NE2 GLN A 59 9.431 -15.030 10.858 1.00 0.00 N ATOM 0 H GLN A 59 7.585 -8.976 8.268 1.00 0.00 H new ATOM 0 HA GLN A 59 6.726 -11.144 9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.387 -11.501 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.524 -11.123 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.845 -12.940 10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.869 -13.359 9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.474 -15.304 11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.200 -15.675 11.039 1.00 0.00 H new ATOM 919 N THR A 60 8.537 -8.452 10.447 1.00 0.00 N ATOM 920 CA THR A 60 8.700 -7.349 11.394 1.00 0.00 C ATOM 921 C THR A 60 7.650 -6.253 11.177 1.00 0.00 C ATOM 922 O THR A 60 7.776 -5.156 11.724 1.00 0.00 O ATOM 923 CB THR A 60 10.111 -6.757 11.279 1.00 0.00 C ATOM 924 OG1 THR A 60 10.506 -6.647 9.922 1.00 0.00 O ATOM 925 CG2 THR A 60 11.161 -7.578 12.002 1.00 0.00 C ATOM 0 H THR A 60 9.091 -8.363 9.595 1.00 0.00 H new ATOM 0 HA THR A 60 8.557 -7.751 12.397 1.00 0.00 H new ATOM 0 HB THR A 60 10.051 -5.775 11.748 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.408 -6.266 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.137 -7.107 11.883 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.912 -7.635 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.190 -8.583 11.582 1.00 0.00 H new ATOM 933 N GLY A 61 6.612 -6.552 10.385 1.00 0.00 N ATOM 934 CA GLY A 61 5.569 -5.575 10.125 1.00 0.00 C ATOM 935 C GLY A 61 6.108 -4.284 9.531 1.00 0.00 C ATOM 936 O GLY A 61 5.469 -3.234 9.627 1.00 0.00 O ATOM 0 H GLY A 61 6.480 -7.452 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.836 -6.005 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.046 -5.352 11.055 1.00 0.00 H new ATOM 940 N GLN A 62 7.289 -4.366 8.919 1.00 0.00 N ATOM 941 CA GLN A 62 7.929 -3.203 8.308 1.00 0.00 C ATOM 942 C GLN A 62 7.878 -3.292 6.785 1.00 0.00 C ATOM 943 O GLN A 62 7.727 -2.280 6.097 1.00 0.00 O ATOM 944 CB GLN A 62 9.385 -3.097 8.783 1.00 0.00 C ATOM 945 CG GLN A 62 9.949 -1.684 8.738 1.00 0.00 C ATOM 946 CD GLN A 62 11.428 -1.634 9.089 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.912 -2.423 9.901 1.00 0.00 O ATOM 948 NE2 GLN A 62 12.153 -0.700 8.479 1.00 0.00 N ATOM 0 H GLN A 62 7.824 -5.230 8.833 1.00 0.00 H new ATOM 0 HA GLN A 62 7.386 -2.309 8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.451 -3.471 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.006 -3.745 8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.802 -1.269 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.393 -1.052 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.712 -0.066 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.150 -0.618 8.678 1.00 0.00 H new ATOM 957 N THR A 63 7.999 -4.512 6.268 1.00 0.00 N ATOM 958 CA THR A 63 7.963 -4.754 4.829 1.00 0.00 C ATOM 959 C THR A 63 6.962 -5.868 4.510 1.00 0.00 C ATOM 960 O THR A 63 6.311 -6.393 5.413 1.00 0.00 O ATOM 961 CB THR A 63 9.367 -5.113 4.319 1.00 0.00 C ATOM 962 OG1 THR A 63 9.365 -5.307 2.914 1.00 0.00 O ATOM 963 CG2 THR A 63 9.941 -6.362 4.957 1.00 0.00 C ATOM 0 H THR A 63 8.124 -5.354 6.830 1.00 0.00 H new ATOM 0 HA THR A 63 7.638 -3.846 4.321 1.00 0.00 H new ATOM 0 HB THR A 63 9.993 -4.265 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.270 -5.533 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.934 -6.555 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.012 -6.220 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.290 -7.211 4.745 1.00 0.00 H new ATOM 971 N LEU A 64 6.835 -6.222 3.231 1.00 0.00 N ATOM 972 CA LEU A 64 5.906 -7.271 2.818 1.00 0.00 C ATOM 973 C LEU A 64 6.638 -8.578 2.521 1.00 0.00 C ATOM 974 O LEU A 64 7.816 -8.577 2.160 1.00 0.00 O ATOM 975 CB LEU A 64 5.109 -6.833 1.583 1.00 0.00 C ATOM 976 CG LEU A 64 4.041 -5.755 1.820 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.954 -5.851 0.761 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.432 -5.872 3.215 1.00 0.00 C ATOM 0 H LEU A 64 7.362 -5.799 2.467 1.00 0.00 H new ATOM 0 HA LEU A 64 5.218 -7.442 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.810 -6.464 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.623 -7.711 1.158 1.00 0.00 H new ATOM 0 HG LEU A 64 4.525 -4.781 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.203 -5.082 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.394 -5.706 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.485 -6.834 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.680 -5.095 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.966 -6.851 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.214 -5.754 3.965 1.00 0.00 H new ATOM 990 N ARG A 65 5.922 -9.689 2.671 1.00 0.00 N ATOM 991 CA ARG A 65 6.490 -11.013 2.419 1.00 0.00 C ATOM 992 C ARG A 65 6.519 -11.325 0.921 1.00 0.00 C ATOM 993 O ARG A 65 5.730 -10.777 0.148 1.00 0.00 O ATOM 994 CB ARG A 65 5.691 -12.088 3.165 1.00 0.00 C ATOM 995 CG ARG A 65 4.225 -12.163 2.756 1.00 0.00 C ATOM 996 CD ARG A 65 3.753 -13.604 2.620 1.00 0.00 C ATOM 997 NE ARG A 65 3.314 -14.163 3.900 1.00 0.00 N ATOM 998 CZ ARG A 65 2.997 -15.449 4.085 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.077 -16.314 3.077 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.600 -15.870 5.282 1.00 0.00 N ATOM 0 H ARG A 65 4.946 -9.700 2.966 1.00 0.00 H new ATOM 0 HA ARG A 65 7.516 -11.013 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.156 -13.058 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.750 -11.893 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.613 -11.648 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.084 -11.643 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.932 -13.650 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.562 -14.213 2.217 1.00 0.00 H new ATOM 0 HE ARG A 65 3.246 -13.533 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.382 -15.998 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.834 -17.293 3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.537 -15.212 6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.358 -16.851 5.423 1.00 0.00 H new ATOM 1014 N PRO A 66 7.439 -12.217 0.491 1.00 0.00 N ATOM 1015 CA PRO A 66 7.573 -12.608 -0.921 1.00 0.00 C ATOM 1016 C PRO A 66 6.254 -13.085 -1.524 1.00 0.00 C ATOM 1017 O PRO A 66 5.522 -13.860 -0.902 1.00 0.00 O ATOM 1018 CB PRO A 66 8.583 -13.758 -0.880 1.00 0.00 C ATOM 1019 CG PRO A 66 9.373 -13.525 0.359 1.00 0.00 C ATOM 1020 CD PRO A 66 8.420 -12.912 1.347 1.00 0.00 C ATOM 0 HA PRO A 66 7.884 -11.769 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.081 -14.725 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.222 -13.755 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.784 -14.459 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.216 -12.861 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.944 -13.670 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.928 -12.220 2.019 1.00 0.00 H new ATOM 1028 N GLY A 67 5.956 -12.614 -2.734 1.00 0.00 N ATOM 1029 CA GLY A 67 4.724 -12.995 -3.405 1.00 0.00 C ATOM 1030 C GLY A 67 4.043 -11.816 -4.079 1.00 0.00 C ATOM 1031 O GLY A 67 3.658 -11.900 -5.246 1.00 0.00 O ATOM 0 H GLY A 67 6.548 -11.973 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.941 -13.760 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.042 -13.440 -2.681 1.00 0.00 H new ATOM 1035 N ILE A 68 3.900 -10.713 -3.342 1.00 0.00 N ATOM 1036 CA ILE A 68 3.266 -9.508 -3.872 1.00 0.00 C ATOM 1037 C ILE A 68 4.304 -8.546 -4.452 1.00 0.00 C ATOM 1038 O ILE A 68 5.406 -8.407 -3.916 1.00 0.00 O ATOM 1039 CB ILE A 68 2.455 -8.763 -2.787 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.499 -9.718 -2.068 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.686 -7.601 -3.400 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.391 -9.448 -0.584 1.00 0.00 C ATOM 0 H ILE A 68 4.216 -10.631 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 68 2.589 -9.837 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 68 3.156 -8.366 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.509 -9.638 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.837 -10.743 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.121 -7.088 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.386 -6.903 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.000 -7.978 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.698 -10.159 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.372 -9.556 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.024 -8.434 -0.424 1.00 0.00 H new ATOM 1054 N LEU A 69 3.940 -7.880 -5.549 1.00 0.00 N ATOM 1055 CA LEU A 69 4.827 -6.925 -6.204 1.00 0.00 C ATOM 1056 C LEU A 69 4.388 -5.493 -5.922 1.00 0.00 C ATOM 1057 O LEU A 69 3.441 -4.990 -6.532 1.00 0.00 O ATOM 1058 CB LEU A 69 4.856 -7.173 -7.716 1.00 0.00 C ATOM 1059 CG LEU A 69 6.182 -6.837 -8.402 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.076 -8.067 -8.468 1.00 0.00 C ATOM 1061 CD2 LEU A 69 5.936 -6.274 -9.795 1.00 0.00 C ATOM 0 H LEU A 69 3.032 -7.987 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 69 5.830 -7.066 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.624 -8.222 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.065 -6.585 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 69 6.692 -6.076 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.014 -7.809 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.281 -8.423 -7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.574 -8.852 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.890 -6.041 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.404 -7.011 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.337 -5.366 -9.720 1.00 0.00 H new ATOM 1073 N VAL A 70 5.084 -4.837 -4.994 1.00 0.00 N ATOM 1074 CA VAL A 70 4.768 -3.457 -4.637 1.00 0.00 C ATOM 1075 C VAL A 70 5.285 -2.491 -5.699 1.00 0.00 C ATOM 1076 O VAL A 70 6.403 -2.641 -6.196 1.00 0.00 O ATOM 1077 CB VAL A 70 5.349 -3.054 -3.262 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.579 -3.727 -2.135 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.835 -3.379 -3.174 1.00 0.00 C ATOM 0 H VAL A 70 5.867 -5.238 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 70 3.681 -3.397 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 70 5.239 -1.975 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.004 -3.430 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.533 -3.424 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.648 -4.809 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.215 -3.084 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.982 -4.450 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.373 -2.836 -3.951 1.00 0.00 H new ATOM 1089 N LEU A 71 4.458 -1.511 -6.046 1.00 0.00 N ATOM 1090 CA LEU A 71 4.822 -0.520 -7.057 1.00 0.00 C ATOM 1091 C LEU A 71 4.545 0.899 -6.568 1.00 0.00 C ATOM 1092 O LEU A 71 3.591 1.136 -5.823 1.00 0.00 O ATOM 1093 CB LEU A 71 4.048 -0.782 -8.352 1.00 0.00 C ATOM 1094 CG LEU A 71 4.135 -2.216 -8.883 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.094 -2.441 -9.970 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.538 -2.508 -9.406 1.00 0.00 C ATOM 0 H LEU A 71 3.530 -1.380 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 71 5.891 -0.612 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.999 -0.536 -8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.417 -0.103 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 71 3.929 -2.905 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.168 -3.464 -10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.098 -2.273 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.270 -1.746 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.582 -3.531 -9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.776 -1.816 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.260 -2.385 -8.599 1.00 0.00 H new ATOM 1108 N VAL A 72 5.383 1.841 -7.000 1.00 0.00 N ATOM 1109 CA VAL A 72 5.235 3.244 -6.621 1.00 0.00 C ATOM 1110 C VAL A 72 5.238 4.132 -7.863 1.00 0.00 C ATOM 1111 O VAL A 72 6.070 3.956 -8.756 1.00 0.00 O ATOM 1112 CB VAL A 72 6.355 3.695 -5.662 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.191 5.163 -5.287 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.375 2.822 -4.415 1.00 0.00 C ATOM 0 H VAL A 72 6.175 1.655 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 72 4.281 3.343 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 72 7.309 3.582 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.993 5.457 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.233 5.776 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.229 5.308 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.172 3.155 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.417 2.900 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.550 1.785 -4.700 1.00 0.00 H new ATOM 1124 N ASN A 73 4.290 5.073 -7.920 1.00 0.00 N ATOM 1125 CA ASN A 73 4.165 5.987 -9.062 1.00 0.00 C ATOM 1126 C ASN A 73 3.948 5.210 -10.367 1.00 0.00 C ATOM 1127 O ASN A 73 4.290 5.692 -11.450 1.00 0.00 O ATOM 1128 CB ASN A 73 5.412 6.874 -9.185 1.00 0.00 C ATOM 1129 CG ASN A 73 5.415 8.019 -8.190 1.00 0.00 C ATOM 1130 OD1 ASN A 73 5.969 7.902 -7.096 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.796 9.135 -8.563 1.00 0.00 N ATOM 0 H ASN A 73 3.596 5.222 -7.187 1.00 0.00 H new ATOM 0 HA ASN A 73 3.296 6.621 -8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.303 6.264 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.469 7.276 -10.196 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.767 9.937 -7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.350 9.189 -9.479 1.00 0.00 H new ATOM 1138 N SER A 74 3.382 4.000 -10.257 1.00 0.00 N ATOM 1139 CA SER A 74 3.128 3.151 -11.422 1.00 0.00 C ATOM 1140 C SER A 74 4.409 2.919 -12.235 1.00 0.00 C ATOM 1141 O SER A 74 4.359 2.775 -13.458 1.00 0.00 O ATOM 1142 CB SER A 74 2.047 3.777 -12.306 1.00 0.00 C ATOM 1143 OG SER A 74 1.167 2.791 -12.819 1.00 0.00 O ATOM 0 H SER A 74 3.092 3.589 -9.369 1.00 0.00 H new ATOM 0 HA SER A 74 2.779 2.183 -11.062 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.481 4.508 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.515 4.315 -13.131 1.00 0.00 H new ATOM 0 HG SER A 74 0.486 3.220 -13.379 1.00 0.00 H new ATOM 1149 N CYS A 75 5.554 2.888 -11.551 1.00 0.00 N ATOM 1150 CA CYS A 75 6.837 2.678 -12.218 1.00 0.00 C ATOM 1151 C CYS A 75 7.647 1.577 -11.533 1.00 0.00 C ATOM 1152 O CYS A 75 8.157 0.673 -12.198 1.00 0.00 O ATOM 1153 CB CYS A 75 7.634 3.988 -12.257 1.00 0.00 C ATOM 1154 SG CYS A 75 8.330 4.505 -10.669 1.00 0.00 S ATOM 0 H CYS A 75 5.618 3.005 -10.540 1.00 0.00 H new ATOM 0 HA CYS A 75 6.638 2.355 -13.240 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.447 3.880 -12.975 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.984 4.781 -12.627 1.00 0.00 H new ATOM 0 HG CYS A 75 7.396 4.505 -9.765 1.00 0.00 H new ATOM 1160 N ASP A 76 7.758 1.660 -10.206 1.00 0.00 N ATOM 1161 CA ASP A 76 8.502 0.676 -9.421 1.00 0.00 C ATOM 1162 C ASP A 76 8.617 1.128 -7.969 1.00 0.00 C ATOM 1163 O ASP A 76 8.820 2.312 -7.692 1.00 0.00 O ATOM 1164 CB ASP A 76 9.905 0.460 -10.001 1.00 0.00 C ATOM 1165 CG ASP A 76 10.136 -0.971 -10.447 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.917 -1.892 -9.631 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.536 -1.170 -11.613 1.00 0.00 O ATOM 0 H ASP A 76 7.338 2.405 -9.650 1.00 0.00 H new ATOM 0 HA ASP A 76 7.955 -0.266 -9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.051 1.129 -10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.650 0.728 -9.251 1.00 0.00 H new ATOM 1172 N ALA A 77 8.490 0.181 -7.045 1.00 0.00 N ATOM 1173 CA ALA A 77 8.586 0.491 -5.621 1.00 0.00 C ATOM 1174 C ALA A 77 10.033 0.468 -5.136 1.00 0.00 C ATOM 1175 O ALA A 77 10.361 1.093 -4.126 1.00 0.00 O ATOM 1176 CB ALA A 77 7.740 -0.473 -4.805 1.00 0.00 C ATOM 0 H ALA A 77 8.321 -0.803 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 77 8.204 1.502 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.825 -0.226 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.698 -0.393 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.090 -1.492 -4.968 1.00 0.00 H new ATOM 1182 N GLU A 78 10.902 -0.244 -5.860 1.00 0.00 N ATOM 1183 CA GLU A 78 12.312 -0.329 -5.495 1.00 0.00 C ATOM 1184 C GLU A 78 13.058 0.929 -5.935 1.00 0.00 C ATOM 1185 O GLU A 78 14.000 1.361 -5.269 1.00 0.00 O ATOM 1186 CB GLU A 78 12.964 -1.566 -6.121 1.00 0.00 C ATOM 1187 CG GLU A 78 12.233 -2.866 -5.820 1.00 0.00 C ATOM 1188 CD GLU A 78 13.121 -3.905 -5.159 1.00 0.00 C ATOM 1189 OE1 GLU A 78 14.209 -4.196 -5.704 1.00 0.00 O ATOM 1190 OE2 GLU A 78 12.728 -4.429 -4.096 1.00 0.00 O ATOM 0 H GLU A 78 10.651 -0.767 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 78 12.372 -0.414 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.015 -1.431 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.990 -1.646 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.383 -2.657 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.833 -3.275 -6.748 1.00 0.00 H new ATOM 1197 N VAL A 79 12.630 1.515 -7.056 1.00 0.00 N ATOM 1198 CA VAL A 79 13.262 2.724 -7.575 1.00 0.00 C ATOM 1199 C VAL A 79 13.161 3.870 -6.567 1.00 0.00 C ATOM 1200 O VAL A 79 14.147 4.558 -6.301 1.00 0.00 O ATOM 1201 CB VAL A 79 12.643 3.173 -8.916 1.00 0.00 C ATOM 1202 CG1 VAL A 79 13.364 4.402 -9.450 1.00 0.00 C ATOM 1203 CG2 VAL A 79 12.682 2.044 -9.939 1.00 0.00 C ATOM 0 H VAL A 79 11.851 1.171 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 79 14.310 2.477 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 79 11.599 3.433 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.915 4.705 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.278 5.216 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.417 4.167 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.240 2.386 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.716 1.746 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.118 1.191 -9.561 1.00 0.00 H new ATOM 1213 N VAL A 80 11.965 4.069 -6.007 1.00 0.00 N ATOM 1214 CA VAL A 80 11.746 5.133 -5.025 1.00 0.00 C ATOM 1215 C VAL A 80 12.541 4.893 -3.737 1.00 0.00 C ATOM 1216 O VAL A 80 12.828 5.836 -2.999 1.00 0.00 O ATOM 1217 CB VAL A 80 10.251 5.294 -4.666 1.00 0.00 C ATOM 1218 CG1 VAL A 80 9.470 5.826 -5.857 1.00 0.00 C ATOM 1219 CG2 VAL A 80 9.658 3.978 -4.174 1.00 0.00 C ATOM 0 H VAL A 80 11.138 3.510 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 80 12.098 6.050 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 80 10.175 6.017 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.420 5.933 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.870 6.797 -6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.560 5.130 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.606 4.122 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.749 3.223 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.195 3.647 -3.285 1.00 0.00 H new ATOM 1229 N GLY A 81 12.891 3.631 -3.473 1.00 0.00 N ATOM 1230 CA GLY A 81 13.645 3.304 -2.275 1.00 0.00 C ATOM 1231 C GLY A 81 13.310 1.931 -1.707 1.00 0.00 C ATOM 1232 O GLY A 81 14.122 1.340 -0.993 1.00 0.00 O ATOM 0 H GLY A 81 12.665 2.834 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.710 3.345 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.452 4.061 -1.515 1.00 0.00 H new ATOM 1236 N GLY A 82 12.109 1.425 -2.012 1.00 0.00 N ATOM 1237 CA GLY A 82 11.690 0.125 -1.508 1.00 0.00 C ATOM 1238 C GLY A 82 10.698 0.258 -0.373 1.00 0.00 C ATOM 1239 O GLY A 82 9.578 -0.250 -0.451 1.00 0.00 O ATOM 0 H GLY A 82 11.421 1.895 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.242 -0.452 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.563 -0.431 -1.165 1.00 0.00 H new ATOM 1243 N MET A 83 11.114 0.955 0.682 1.00 0.00 N ATOM 1244 CA MET A 83 10.264 1.179 1.848 1.00 0.00 C ATOM 1245 C MET A 83 10.652 2.478 2.570 1.00 0.00 C ATOM 1246 O MET A 83 10.445 2.608 3.778 1.00 0.00 O ATOM 1247 CB MET A 83 10.362 -0.013 2.809 1.00 0.00 C ATOM 1248 CG MET A 83 11.766 -0.267 3.337 1.00 0.00 C ATOM 1249 SD MET A 83 11.899 -1.826 4.233 1.00 0.00 S ATOM 1250 CE MET A 83 13.593 -2.284 3.872 1.00 0.00 C ATOM 0 H MET A 83 12.040 1.376 0.753 1.00 0.00 H new ATOM 0 HA MET A 83 9.233 1.276 1.506 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.693 0.157 3.652 1.00 0.00 H new ATOM 0 HB3 MET A 83 10.009 -0.909 2.298 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.468 -0.270 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.056 0.552 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.826 -3.231 4.359 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.720 -2.389 2.795 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.266 -1.511 4.243 1.00 0.00 H new ATOM 1260 N ASP A 84 11.221 3.434 1.825 1.00 0.00 N ATOM 1261 CA ASP A 84 11.642 4.709 2.408 1.00 0.00 C ATOM 1262 C ASP A 84 11.229 5.908 1.546 1.00 0.00 C ATOM 1263 O ASP A 84 11.815 6.988 1.661 1.00 0.00 O ATOM 1264 CB ASP A 84 13.162 4.708 2.610 1.00 0.00 C ATOM 1265 CG ASP A 84 13.604 5.606 3.754 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.888 5.671 4.777 1.00 0.00 O ATOM 1267 OD2 ASP A 84 14.669 6.244 3.627 1.00 0.00 O ATOM 0 H ASP A 84 11.399 3.348 0.824 1.00 0.00 H new ATOM 0 HA ASP A 84 11.138 4.813 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.498 3.689 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.647 5.034 1.690 1.00 0.00 H new ATOM 1272 N TYR A 85 10.220 5.723 0.694 1.00 0.00 N ATOM 1273 CA TYR A 85 9.745 6.805 -0.165 1.00 0.00 C ATOM 1274 C TYR A 85 8.819 7.742 0.604 1.00 0.00 C ATOM 1275 O TYR A 85 7.717 7.356 1.002 1.00 0.00 O ATOM 1276 CB TYR A 85 9.023 6.237 -1.389 1.00 0.00 C ATOM 1277 CG TYR A 85 8.587 7.286 -2.391 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.460 8.281 -2.822 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.300 7.275 -2.908 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.058 9.231 -3.740 1.00 0.00 C ATOM 1281 CE2 TYR A 85 6.891 8.223 -3.827 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.772 9.198 -4.240 1.00 0.00 C ATOM 1283 OH TYR A 85 7.370 10.142 -5.156 1.00 0.00 O ATOM 0 H TYR A 85 9.720 4.841 0.581 1.00 0.00 H new ATOM 0 HA TYR A 85 10.610 7.376 -0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.681 5.525 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.146 5.682 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.467 8.310 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.606 6.513 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.747 9.996 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.885 8.199 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 85 6.866 9.706 -5.875 1.00 0.00 H new ATOM 1293 N VAL A 86 9.279 8.977 0.811 1.00 0.00 N ATOM 1294 CA VAL A 86 8.501 9.981 1.536 1.00 0.00 C ATOM 1295 C VAL A 86 7.198 10.309 0.808 1.00 0.00 C ATOM 1296 O VAL A 86 7.154 10.341 -0.424 1.00 0.00 O ATOM 1297 CB VAL A 86 9.302 11.286 1.753 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.391 11.080 2.797 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.898 11.789 0.443 1.00 0.00 C ATOM 0 H VAL A 86 10.188 9.306 0.486 1.00 0.00 H new ATOM 0 HA VAL A 86 8.270 9.546 2.509 1.00 0.00 H new ATOM 0 HB VAL A 86 8.613 12.046 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.943 12.010 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.937 10.784 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.074 10.299 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.456 12.708 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.568 11.033 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.097 11.987 -0.269 1.00 0.00 H new ATOM 1309 N LEU A 87 6.140 10.549 1.581 1.00 0.00 N ATOM 1310 CA LEU A 87 4.833 10.870 1.015 1.00 0.00 C ATOM 1311 C LEU A 87 4.735 12.347 0.641 1.00 0.00 C ATOM 1312 O LEU A 87 5.252 13.216 1.345 1.00 0.00 O ATOM 1313 CB LEU A 87 3.717 10.508 2.001 1.00 0.00 C ATOM 1314 CG LEU A 87 2.941 9.234 1.661 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.616 8.016 2.278 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.497 9.347 2.133 1.00 0.00 C ATOM 0 H LEU A 87 6.163 10.527 2.600 1.00 0.00 H new ATOM 0 HA LEU A 87 4.714 10.279 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.152 10.396 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.015 11.340 2.053 1.00 0.00 H new ATOM 0 HG LEU A 87 2.938 9.110 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.050 7.119 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.630 7.926 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.651 8.130 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.960 8.432 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.478 9.496 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.019 10.194 1.642 1.00 0.00 H new ATOM 1328 N ASN A 88 4.062 12.619 -0.475 1.00 0.00 N ATOM 1329 CA ASN A 88 3.878 13.983 -0.961 1.00 0.00 C ATOM 1330 C ASN A 88 2.400 14.239 -1.283 1.00 0.00 C ATOM 1331 O ASN A 88 2.068 14.832 -2.310 1.00 0.00 O ATOM 1332 CB ASN A 88 4.752 14.214 -2.199 1.00 0.00 C ATOM 1333 CG ASN A 88 4.825 15.674 -2.606 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.234 16.529 -1.820 1.00 0.00 O ATOM 1335 ND2 ASN A 88 4.429 15.967 -3.839 1.00 0.00 N ATOM 0 H ASN A 88 3.632 11.905 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 88 4.182 14.684 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.759 13.847 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.358 13.630 -3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.457 16.932 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.097 15.227 -4.457 1.00 0.00 H new ATOM 1342 N ASP A 89 1.521 13.770 -0.389 1.00 0.00 N ATOM 1343 CA ASP A 89 0.072 13.921 -0.553 1.00 0.00 C ATOM 1344 C ASP A 89 -0.411 13.363 -1.900 1.00 0.00 C ATOM 1345 O ASP A 89 -1.430 13.804 -2.436 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.337 15.392 -0.408 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.136 15.657 0.859 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.864 14.747 1.311 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -1.033 16.775 1.399 1.00 0.00 O ATOM 0 H ASP A 89 1.793 13.279 0.463 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.407 13.341 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.557 16.015 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.929 15.687 -1.274 1.00 0.00 H new ATOM 1354 N GLY A 90 0.321 12.385 -2.434 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.045 11.773 -3.702 1.00 0.00 C ATOM 1356 C GLY A 90 0.835 10.581 -4.036 1.00 0.00 C ATOM 1357 O GLY A 90 1.248 10.404 -5.184 1.00 0.00 O ATOM 0 H GLY A 90 1.166 12.004 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.087 11.454 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.032 12.514 -4.497 1.00 0.00 H new ATOM 1361 N ASP A 91 1.124 9.770 -3.018 1.00 0.00 N ATOM 1362 CA ASP A 91 1.965 8.588 -3.178 1.00 0.00 C ATOM 1363 C ASP A 91 1.155 7.398 -3.698 1.00 0.00 C ATOM 1364 O ASP A 91 0.271 6.888 -3.007 1.00 0.00 O ATOM 1365 CB ASP A 91 2.624 8.238 -1.836 1.00 0.00 C ATOM 1366 CG ASP A 91 3.839 7.332 -1.971 1.00 0.00 C ATOM 1367 OD1 ASP A 91 3.940 6.604 -2.983 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.692 7.350 -1.057 1.00 0.00 O ATOM 0 H ASP A 91 0.784 9.914 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 91 2.738 8.811 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.922 9.160 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.888 7.752 -1.195 1.00 0.00 H new ATOM 1373 N THR A 92 1.467 6.959 -4.919 1.00 0.00 N ATOM 1374 CA THR A 92 0.774 5.827 -5.528 1.00 0.00 C ATOM 1375 C THR A 92 1.407 4.509 -5.085 1.00 0.00 C ATOM 1376 O THR A 92 2.622 4.334 -5.184 1.00 0.00 O ATOM 1377 CB THR A 92 0.807 5.932 -7.059 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.337 7.198 -7.495 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.023 4.868 -7.747 1.00 0.00 C ATOM 0 H THR A 92 2.195 7.371 -5.503 1.00 0.00 H new ATOM 0 HA THR A 92 -0.264 5.849 -5.197 1.00 0.00 H new ATOM 0 HB THR A 92 1.853 5.791 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.370 7.240 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.042 4.998 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.353 3.881 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.063 4.958 -7.433 1.00 0.00 H new ATOM 1387 N VAL A 93 0.575 3.587 -4.598 1.00 0.00 N ATOM 1388 CA VAL A 93 1.054 2.282 -4.144 1.00 0.00 C ATOM 1389 C VAL A 93 0.089 1.167 -4.554 1.00 0.00 C ATOM 1390 O VAL A 93 -1.126 1.293 -4.384 1.00 0.00 O ATOM 1391 CB VAL A 93 1.257 2.253 -2.610 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.048 2.557 -1.880 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.828 0.911 -2.169 1.00 0.00 C ATOM 0 H VAL A 93 -0.432 3.720 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 93 2.017 2.113 -4.625 1.00 0.00 H new ATOM 0 HB VAL A 93 1.975 3.031 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.122 2.530 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.403 3.547 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.797 1.811 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.963 0.911 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.140 0.113 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.790 0.747 -2.655 1.00 0.00 H new ATOM 1403 N GLU A 94 0.636 0.078 -5.098 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.182 -1.053 -5.535 1.00 0.00 C ATOM 1405 C GLU A 94 0.338 -2.373 -4.972 1.00 0.00 C ATOM 1406 O GLU A 94 1.493 -2.473 -4.549 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.220 -1.127 -7.061 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.816 0.110 -7.714 1.00 0.00 C ATOM 1409 CD GLU A 94 0.041 0.647 -8.844 1.00 0.00 C ATOM 1410 OE1 GLU A 94 0.140 -0.031 -9.888 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.612 1.747 -8.685 1.00 0.00 O ATOM 0 H GLU A 94 1.638 -0.044 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.190 -0.892 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.793 -1.273 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.799 -2.001 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.808 -0.129 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.945 0.887 -6.961 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.528 -3.387 -4.981 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.180 -4.713 -4.482 1.00 0.00 C ATOM 1420 C PHE A 95 -0.649 -5.785 -5.464 1.00 0.00 C ATOM 1421 O PHE A 95 -1.842 -6.079 -5.552 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.811 -4.948 -3.102 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.458 -3.898 -2.083 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -1.091 -2.663 -2.086 1.00 0.00 C ATOM 1425 CD2 PHE A 95 0.510 -4.146 -1.122 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.767 -1.700 -1.150 1.00 0.00 C ATOM 1427 CE2 PHE A 95 0.839 -3.186 -0.185 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.200 -1.961 -0.199 1.00 0.00 C ATOM 0 H PHE A 95 -1.483 -3.311 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 95 0.904 -4.774 -4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.895 -4.985 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.495 -5.922 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.846 -2.452 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.013 -5.102 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.269 -0.744 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.595 -3.393 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.456 -1.209 0.532 1.00 0.00 H new ATOM 1438 N ILE A 96 0.297 -6.357 -6.212 1.00 0.00 N ATOM 1439 CA ILE A 96 -0.017 -7.389 -7.202 1.00 0.00 C ATOM 1440 C ILE A 96 0.604 -8.731 -6.815 1.00 0.00 C ATOM 1441 O ILE A 96 1.827 -8.879 -6.814 1.00 0.00 O ATOM 1442 CB ILE A 96 0.481 -6.988 -8.609 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.031 -5.565 -8.960 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.017 -7.977 -9.656 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.762 -4.979 -10.148 1.00 0.00 C ATOM 0 H ILE A 96 1.288 -6.123 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.102 -7.488 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 96 1.571 -7.011 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.039 -5.571 -9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.184 -4.920 -8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.344 -7.678 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.355 -8.974 -9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.107 -7.988 -9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.394 -3.971 -10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.830 -4.941 -9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.589 -5.602 -11.025 1.00 0.00 H new ATOM 1457 N SER A 97 -0.244 -9.707 -6.487 1.00 0.00 N ATOM 1458 CA SER A 97 0.232 -11.035 -6.098 1.00 0.00 C ATOM 1459 C SER A 97 0.639 -11.860 -7.318 1.00 0.00 C ATOM 1460 O SER A 97 -0.026 -11.827 -8.355 1.00 0.00 O ATOM 1461 CB SER A 97 -0.844 -11.782 -5.305 1.00 0.00 C ATOM 1462 OG SER A 97 -0.261 -12.638 -4.337 1.00 0.00 O ATOM 0 H SER A 97 -1.259 -9.604 -6.483 1.00 0.00 H new ATOM 0 HA SER A 97 1.110 -10.896 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.501 -11.065 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.463 -12.366 -5.986 1.00 0.00 H new ATOM 0 HG SER A 97 -0.968 -13.102 -3.843 1.00 0.00 H new ATOM 1468 N THR A 98 1.731 -12.607 -7.178 1.00 0.00 N ATOM 1469 CA THR A 98 2.231 -13.457 -8.258 1.00 0.00 C ATOM 1470 C THR A 98 2.332 -14.908 -7.785 1.00 0.00 C ATOM 1471 O THR A 98 1.761 -15.809 -8.402 1.00 0.00 O ATOM 1472 CB THR A 98 3.593 -12.956 -8.757 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.513 -12.822 -7.684 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.509 -11.619 -9.463 1.00 0.00 C ATOM 0 H THR A 98 2.289 -12.642 -6.325 1.00 0.00 H new ATOM 0 HA THR A 98 1.527 -13.410 -9.089 1.00 0.00 H new ATOM 0 HB THR A 98 3.934 -13.709 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.082 -12.350 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.504 -11.318 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.851 -11.705 -10.328 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.112 -10.870 -8.778 1.00 0.00 H new