USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -3.07! K(o=-3.1!,f=-2) USER MOD Set 1.2: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.026) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -2.31 (180deg=-2.41!) USER MOD Single : A 60 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0253) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -64:sc= 0.476 USER MOD Single : A 86 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-6.2!) USER MOD Single : A 87 LYS NZ :NH3+ -127:sc= -0.088 (180deg=-2.43!) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 94 TYR OH : rot 23:sc= -0.104 USER MOD Single : A 95 CYS SG : rot -88:sc= -0.241 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.079) USER MOD Single : A 105 SER OG : rot -25:sc= 0.238 USER MOD Single : A 108 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-4.4!) USER MOD Single : A 110 GLN : amide:sc= -4.98! K(o=-5!,f=-3.3) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00641 X(o=-0.0064,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 0.801 14.407 -7.160 1.00 0.00 N ATOM 136 CA ASP A 42 0.271 15.662 -6.641 1.00 0.00 C ATOM 137 C ASP A 42 1.150 16.200 -5.516 1.00 0.00 C ATOM 138 O ASP A 42 1.438 15.496 -4.548 1.00 0.00 O ATOM 139 CB ASP A 42 -1.160 15.466 -6.137 1.00 0.00 C ATOM 140 CG ASP A 42 -2.193 15.696 -7.224 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.925 16.508 -8.133 1.00 0.00 O ATOM 142 OD2 ASP A 42 -3.268 15.064 -7.163 1.00 0.00 O ATOM 0 HA ASP A 42 0.266 16.389 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.269 14.455 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.348 16.151 -5.310 1.00 0.00 H new ATOM 147 N HIS A 43 1.575 17.453 -5.652 1.00 0.00 N ATOM 148 CA HIS A 43 2.422 18.085 -4.647 1.00 0.00 C ATOM 149 C HIS A 43 1.950 17.735 -3.239 1.00 0.00 C ATOM 150 O HIS A 43 2.758 17.571 -2.326 1.00 0.00 O ATOM 151 CB HIS A 43 2.425 19.603 -4.834 1.00 0.00 C ATOM 152 CG HIS A 43 1.055 20.190 -4.985 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.373 20.787 -3.946 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.241 20.271 -6.063 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.802 21.208 -4.378 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.907 20.908 -5.660 1.00 0.00 N ATOM 0 H HIS A 43 1.347 18.049 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 43 3.437 17.708 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.917 20.065 -3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.017 19.851 -5.715 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.454 19.903 -7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.550 21.712 -3.784 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.710 21.116 -6.254 1.00 0.00 H new ATOM 165 N ASP A 44 0.636 17.623 -3.072 1.00 0.00 N ATOM 166 CA ASP A 44 0.056 17.293 -1.776 1.00 0.00 C ATOM 167 C ASP A 44 -0.471 15.861 -1.766 1.00 0.00 C ATOM 168 O ASP A 44 -1.549 15.590 -1.237 1.00 0.00 O ATOM 169 CB ASP A 44 -1.072 18.267 -1.434 1.00 0.00 C ATOM 170 CG ASP A 44 -1.699 17.978 -0.085 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.944 17.738 0.881 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.944 17.989 0.006 1.00 0.00 O ATOM 0 H ASP A 44 -0.047 17.756 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 44 0.839 17.379 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.683 19.285 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.839 18.215 -2.206 1.00 0.00 H new ATOM 177 N ALA A 45 0.295 14.950 -2.356 1.00 0.00 N ATOM 178 CA ALA A 45 -0.095 13.546 -2.414 1.00 0.00 C ATOM 179 C ALA A 45 0.009 12.890 -1.041 1.00 0.00 C ATOM 180 O ALA A 45 0.416 13.526 -0.068 1.00 0.00 O ATOM 181 CB ALA A 45 0.765 12.801 -3.424 1.00 0.00 C ATOM 0 H ALA A 45 1.189 15.158 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.136 13.496 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.463 11.754 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.637 13.247 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.812 12.867 -3.129 1.00 0.00 H new ATOM 187 N ILE A 46 -0.361 11.616 -0.970 1.00 0.00 N ATOM 188 CA ILE A 46 -0.309 10.875 0.284 1.00 0.00 C ATOM 189 C ILE A 46 0.160 9.442 0.056 1.00 0.00 C ATOM 190 O ILE A 46 -0.033 8.877 -1.021 1.00 0.00 O ATOM 191 CB ILE A 46 -1.682 10.849 0.981 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.321 12.239 0.948 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.539 10.360 2.415 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.697 12.287 1.574 1.00 0.00 C ATOM 0 H ILE A 46 -0.700 11.076 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 46 0.405 11.391 0.926 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.332 10.158 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.670 12.942 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.390 12.574 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.518 10.347 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.121 9.353 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.875 11.029 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.088 13.303 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.363 11.610 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.632 11.983 2.619 1.00 0.00 H new ATOM 206 N LYS A 47 0.775 8.857 1.078 1.00 0.00 N ATOM 207 CA LYS A 47 1.269 7.487 0.993 1.00 0.00 C ATOM 208 C LYS A 47 0.448 6.556 1.880 1.00 0.00 C ATOM 209 O LYS A 47 0.419 6.712 3.101 1.00 0.00 O ATOM 210 CB LYS A 47 2.743 7.429 1.400 1.00 0.00 C ATOM 211 CG LYS A 47 3.395 6.084 1.131 1.00 0.00 C ATOM 212 CD LYS A 47 4.901 6.146 1.325 1.00 0.00 C ATOM 213 CE LYS A 47 5.286 5.920 2.779 1.00 0.00 C ATOM 214 NZ LYS A 47 5.061 7.136 3.608 1.00 0.00 N ATOM 0 H LYS A 47 0.944 9.310 1.976 1.00 0.00 H new ATOM 0 HA LYS A 47 1.170 7.155 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.291 8.203 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.827 7.658 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.972 5.333 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.171 5.767 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.381 5.393 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.272 7.117 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.705 5.092 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.335 5.631 2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.504 7.007 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.482 7.961 3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.040 7.290 3.728 1.00 0.00 H new ATOM 228 N LEU A 48 -0.215 5.588 1.258 1.00 0.00 N ATOM 229 CA LEU A 48 -1.036 4.630 1.991 1.00 0.00 C ATOM 230 C LEU A 48 -0.218 3.405 2.388 1.00 0.00 C ATOM 231 O LEU A 48 0.627 2.936 1.625 1.00 0.00 O ATOM 232 CB LEU A 48 -2.237 4.204 1.145 1.00 0.00 C ATOM 233 CG LEU A 48 -3.299 5.277 0.900 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.394 4.745 -0.012 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.886 5.757 2.219 1.00 0.00 C ATOM 0 H LEU A 48 -0.201 5.445 0.248 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.394 5.115 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.871 3.856 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.714 3.353 1.630 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.825 6.126 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.141 5.522 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.961 4.452 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.866 3.880 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.640 6.520 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.345 4.917 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.094 6.178 2.838 1.00 0.00 H new ATOM 247 N PHE A 49 -0.478 2.889 3.585 1.00 0.00 N ATOM 248 CA PHE A 49 0.232 1.716 4.082 1.00 0.00 C ATOM 249 C PHE A 49 -0.745 0.607 4.459 1.00 0.00 C ATOM 250 O PHE A 49 -1.680 0.824 5.231 1.00 0.00 O ATOM 251 CB PHE A 49 1.090 2.089 5.293 1.00 0.00 C ATOM 252 CG PHE A 49 1.487 0.909 6.133 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.602 0.364 7.048 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.747 0.345 6.007 1.00 0.00 C ATOM 255 CE1 PHE A 49 0.964 -0.723 7.822 1.00 0.00 C ATOM 256 CE2 PHE A 49 3.115 -0.741 6.777 1.00 0.00 C ATOM 257 CZ PHE A 49 2.223 -1.275 7.687 1.00 0.00 C ATOM 0 H PHE A 49 -1.175 3.264 4.228 1.00 0.00 H new ATOM 0 HA PHE A 49 0.879 1.349 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.990 2.598 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.541 2.798 5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.383 0.793 7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.449 0.760 5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.264 -1.140 8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.099 -1.172 6.668 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.510 -2.123 8.292 1.00 0.00 H new ATOM 267 N VAL A 50 -0.523 -0.582 3.909 1.00 0.00 N ATOM 268 CA VAL A 50 -1.383 -1.726 4.187 1.00 0.00 C ATOM 269 C VAL A 50 -0.716 -2.692 5.160 1.00 0.00 C ATOM 270 O VAL A 50 0.456 -3.033 5.007 1.00 0.00 O ATOM 271 CB VAL A 50 -1.744 -2.484 2.896 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.818 -3.526 3.171 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.198 -1.512 1.818 1.00 0.00 C ATOM 0 H VAL A 50 0.246 -0.778 3.268 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.295 -1.334 4.637 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.854 -3.000 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.060 -4.051 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.452 -4.240 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.712 -3.034 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.449 -2.064 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.075 -0.967 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.395 -0.807 1.602 1.00 0.00 H new ATOM 283 N GLY A 51 -1.471 -3.129 6.163 1.00 0.00 N ATOM 284 CA GLY A 51 -0.936 -4.052 7.147 1.00 0.00 C ATOM 285 C GLY A 51 -1.794 -5.291 7.307 1.00 0.00 C ATOM 286 O GLY A 51 -1.883 -5.855 8.398 1.00 0.00 O ATOM 0 H GLY A 51 -2.444 -2.860 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.071 -4.347 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.853 -3.545 8.108 1.00 0.00 H new ATOM 290 N GLN A 52 -2.429 -5.714 6.219 1.00 0.00 N ATOM 291 CA GLN A 52 -3.287 -6.893 6.245 1.00 0.00 C ATOM 292 C GLN A 52 -2.991 -7.808 5.061 1.00 0.00 C ATOM 293 O GLN A 52 -3.906 -8.356 4.445 1.00 0.00 O ATOM 294 CB GLN A 52 -4.759 -6.479 6.229 1.00 0.00 C ATOM 295 CG GLN A 52 -5.714 -7.611 6.571 1.00 0.00 C ATOM 296 CD GLN A 52 -5.817 -7.858 8.063 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.699 -8.993 8.526 1.00 0.00 O ATOM 298 NE2 GLN A 52 -6.037 -6.794 8.826 1.00 0.00 N ATOM 0 H GLN A 52 -2.366 -5.258 5.309 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.081 -7.441 7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.906 -5.664 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.008 -6.091 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.703 -7.378 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.380 -8.524 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.128 -5.871 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.115 -6.899 9.838 1.00 0.00 H new ATOM 307 N ILE A 53 -1.710 -7.968 4.749 1.00 0.00 N ATOM 308 CA ILE A 53 -1.295 -8.817 3.639 1.00 0.00 C ATOM 309 C ILE A 53 -0.697 -10.126 4.143 1.00 0.00 C ATOM 310 O ILE A 53 0.353 -10.151 4.785 1.00 0.00 O ATOM 311 CB ILE A 53 -0.264 -8.107 2.742 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.786 -6.732 2.318 1.00 0.00 C ATOM 313 CG2 ILE A 53 0.052 -8.959 1.522 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.259 -5.871 1.644 1.00 0.00 C ATOM 0 H ILE A 53 -0.941 -7.521 5.249 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.189 -9.030 3.053 1.00 0.00 H new ATOM 0 HB ILE A 53 0.655 -7.966 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.628 -6.866 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.164 -6.209 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.782 -8.444 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.461 -9.917 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.860 -9.127 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.181 -4.912 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.091 -5.707 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.621 -6.373 0.747 1.00 0.00 H new ATOM 326 N PRO A 54 -1.379 -11.242 3.844 1.00 0.00 N ATOM 327 CA PRO A 54 -0.933 -12.576 4.255 1.00 0.00 C ATOM 328 C PRO A 54 0.319 -13.025 3.508 1.00 0.00 C ATOM 329 O PRO A 54 0.973 -12.225 2.839 1.00 0.00 O ATOM 330 CB PRO A 54 -2.120 -13.473 3.896 1.00 0.00 C ATOM 331 CG PRO A 54 -2.822 -12.751 2.798 1.00 0.00 C ATOM 332 CD PRO A 54 -2.638 -11.286 3.082 1.00 0.00 C ATOM 0 HA PRO A 54 -0.661 -12.607 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.787 -14.459 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.776 -13.624 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.404 -13.016 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.880 -13.014 2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.572 -10.704 2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.470 -10.881 3.657 1.00 0.00 H new ATOM 340 N ARG A 55 0.646 -14.307 3.627 1.00 0.00 N ATOM 341 CA ARG A 55 1.820 -14.861 2.964 1.00 0.00 C ATOM 342 C ARG A 55 1.414 -15.732 1.778 1.00 0.00 C ATOM 343 O ARG A 55 0.721 -16.735 1.940 1.00 0.00 O ATOM 344 CB ARG A 55 2.651 -15.681 3.952 1.00 0.00 C ATOM 345 CG ARG A 55 3.918 -16.262 3.346 1.00 0.00 C ATOM 346 CD ARG A 55 4.484 -17.382 4.206 1.00 0.00 C ATOM 347 NE ARG A 55 3.879 -18.673 3.891 1.00 0.00 N ATOM 348 CZ ARG A 55 4.277 -19.821 4.427 1.00 0.00 C ATOM 349 NH1 ARG A 55 5.275 -19.839 5.300 1.00 0.00 N ATOM 350 NH2 ARG A 55 3.677 -20.956 4.090 1.00 0.00 N ATOM 0 H ARG A 55 0.114 -14.982 4.177 1.00 0.00 H new ATOM 0 HA ARG A 55 2.423 -14.031 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.920 -15.050 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.039 -16.494 4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.704 -16.642 2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.664 -15.475 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.562 -17.442 4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.317 -17.151 5.258 1.00 0.00 H new ATOM 0 HE ARG A 55 3.109 -18.694 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.739 -18.969 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.578 -20.722 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.909 -20.947 3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.984 -21.837 4.502 1.00 0.00 H new ATOM 364 N GLY A 56 1.851 -15.340 0.585 1.00 0.00 N ATOM 365 CA GLY A 56 1.523 -16.095 -0.610 1.00 0.00 C ATOM 366 C GLY A 56 1.126 -15.202 -1.769 1.00 0.00 C ATOM 367 O GLY A 56 1.256 -15.587 -2.932 1.00 0.00 O ATOM 0 H GLY A 56 2.426 -14.513 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.381 -16.701 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.707 -16.783 -0.389 1.00 0.00 H new ATOM 371 N LEU A 57 0.638 -14.007 -1.453 1.00 0.00 N ATOM 372 CA LEU A 57 0.219 -13.057 -2.478 1.00 0.00 C ATOM 373 C LEU A 57 1.247 -11.942 -2.640 1.00 0.00 C ATOM 374 O LEU A 57 2.172 -11.816 -1.838 1.00 0.00 O ATOM 375 CB LEU A 57 -1.144 -12.461 -2.121 1.00 0.00 C ATOM 376 CG LEU A 57 -2.245 -13.464 -1.775 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.476 -12.744 -1.246 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.600 -14.308 -2.991 1.00 0.00 C ATOM 0 H LEU A 57 0.523 -13.673 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 57 0.139 -13.592 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.013 -11.788 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.484 -11.854 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.873 -14.127 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.249 -13.474 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.213 -12.185 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.850 -12.057 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.385 -15.016 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.952 -13.660 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.718 -14.853 -3.326 1.00 0.00 H new ATOM 390 N ASP A 58 1.078 -11.136 -3.682 1.00 0.00 N ATOM 391 CA ASP A 58 1.989 -10.029 -3.948 1.00 0.00 C ATOM 392 C ASP A 58 1.229 -8.812 -4.467 1.00 0.00 C ATOM 393 O ASP A 58 0.000 -8.815 -4.526 1.00 0.00 O ATOM 394 CB ASP A 58 3.055 -10.450 -4.961 1.00 0.00 C ATOM 395 CG ASP A 58 3.681 -11.788 -4.620 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.385 -11.868 -3.592 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.468 -12.755 -5.382 1.00 0.00 O ATOM 0 H ASP A 58 0.318 -11.228 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 58 2.476 -9.758 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.608 -10.504 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.833 -9.688 -5.003 1.00 0.00 H new ATOM 402 N GLU A 59 1.970 -7.773 -4.840 1.00 0.00 N ATOM 403 CA GLU A 59 1.365 -6.549 -5.352 1.00 0.00 C ATOM 404 C GLU A 59 0.484 -6.843 -6.563 1.00 0.00 C ATOM 405 O GLU A 59 -0.446 -6.094 -6.862 1.00 0.00 O ATOM 406 CB GLU A 59 2.449 -5.537 -5.729 1.00 0.00 C ATOM 407 CG GLU A 59 3.296 -5.085 -4.551 1.00 0.00 C ATOM 408 CD GLU A 59 2.476 -4.858 -3.296 1.00 0.00 C ATOM 409 OE1 GLU A 59 1.948 -5.846 -2.744 1.00 0.00 O ATOM 410 OE2 GLU A 59 2.362 -3.691 -2.866 1.00 0.00 O ATOM 0 H GLU A 59 2.989 -7.755 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 59 0.741 -6.125 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.099 -5.978 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.978 -4.665 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.061 -5.835 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.814 -4.163 -4.814 1.00 0.00 H new ATOM 417 N GLN A 60 0.786 -7.936 -7.255 1.00 0.00 N ATOM 418 CA GLN A 60 0.023 -8.328 -8.435 1.00 0.00 C ATOM 419 C GLN A 60 -1.419 -8.661 -8.064 1.00 0.00 C ATOM 420 O GLN A 60 -2.307 -8.650 -8.916 1.00 0.00 O ATOM 421 CB GLN A 60 0.678 -9.530 -9.116 1.00 0.00 C ATOM 422 CG GLN A 60 0.033 -9.905 -10.440 1.00 0.00 C ATOM 423 CD GLN A 60 -1.094 -10.906 -10.278 1.00 0.00 C ATOM 424 OE1 GLN A 60 -2.205 -10.692 -10.764 1.00 0.00 O ATOM 425 NE2 GLN A 60 -0.813 -12.009 -9.593 1.00 0.00 N ATOM 0 H GLN A 60 1.553 -8.566 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 60 0.016 -7.487 -9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.733 -9.312 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.633 -10.387 -8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.352 -9.005 -10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.791 -10.321 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.121 -12.146 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.532 -12.719 -9.453 1.00 0.00 H new ATOM 434 N ASP A 61 -1.643 -8.957 -6.789 1.00 0.00 N ATOM 435 CA ASP A 61 -2.977 -9.293 -6.305 1.00 0.00 C ATOM 436 C ASP A 61 -3.648 -8.078 -5.672 1.00 0.00 C ATOM 437 O ASP A 61 -4.868 -8.046 -5.506 1.00 0.00 O ATOM 438 CB ASP A 61 -2.902 -10.436 -5.291 1.00 0.00 C ATOM 439 CG ASP A 61 -4.270 -10.988 -4.940 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.994 -10.330 -4.164 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.616 -12.080 -5.439 1.00 0.00 O ATOM 0 H ASP A 61 -0.918 -8.971 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.576 -9.613 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.283 -11.237 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.412 -10.082 -4.384 1.00 0.00 H new ATOM 446 N LEU A 62 -2.843 -7.081 -5.320 1.00 0.00 N ATOM 447 CA LEU A 62 -3.359 -5.864 -4.704 1.00 0.00 C ATOM 448 C LEU A 62 -3.665 -4.806 -5.760 1.00 0.00 C ATOM 449 O LEU A 62 -4.613 -4.034 -5.625 1.00 0.00 O ATOM 450 CB LEU A 62 -2.350 -5.314 -3.693 1.00 0.00 C ATOM 451 CG LEU A 62 -2.137 -6.154 -2.434 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.988 -5.596 -1.608 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.413 -6.208 -1.606 1.00 0.00 C ATOM 0 H LEU A 62 -1.831 -7.092 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.285 -6.113 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.389 -5.198 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.674 -4.318 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.881 -7.169 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.851 -6.207 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.073 -5.610 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.215 -4.571 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.242 -6.810 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.700 -5.198 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.212 -6.654 -2.198 1.00 0.00 H new ATOM 465 N LYS A 63 -2.856 -4.779 -6.815 1.00 0.00 N ATOM 466 CA LYS A 63 -3.041 -3.820 -7.897 1.00 0.00 C ATOM 467 C LYS A 63 -4.496 -3.790 -8.354 1.00 0.00 C ATOM 468 O LYS A 63 -5.097 -2.729 -8.525 1.00 0.00 O ATOM 469 CB LYS A 63 -2.132 -4.170 -9.077 1.00 0.00 C ATOM 470 CG LYS A 63 -0.805 -3.430 -9.061 1.00 0.00 C ATOM 471 CD LYS A 63 -0.891 -2.114 -9.816 1.00 0.00 C ATOM 472 CE LYS A 63 -0.841 -2.331 -11.321 1.00 0.00 C ATOM 473 NZ LYS A 63 0.537 -2.642 -11.791 1.00 0.00 N ATOM 0 H LYS A 63 -2.066 -5.411 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.775 -2.831 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.941 -5.243 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.654 -3.944 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.506 -3.240 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.033 -4.057 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.816 -1.601 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.069 -1.465 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.510 -3.147 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.205 -1.438 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.560 -2.632 -12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.198 -1.928 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.817 -3.583 -11.447 1.00 0.00 H new ATOM 487 N PRO A 64 -5.078 -4.982 -8.557 1.00 0.00 N ATOM 488 CA PRO A 64 -6.470 -5.118 -8.996 1.00 0.00 C ATOM 489 C PRO A 64 -7.423 -4.249 -8.181 1.00 0.00 C ATOM 490 O PRO A 64 -8.306 -3.592 -8.733 1.00 0.00 O ATOM 491 CB PRO A 64 -6.771 -6.601 -8.766 1.00 0.00 C ATOM 492 CG PRO A 64 -5.444 -7.274 -8.850 1.00 0.00 C ATOM 493 CD PRO A 64 -4.422 -6.287 -8.374 1.00 0.00 C ATOM 0 HA PRO A 64 -6.605 -4.796 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.237 -6.764 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.459 -6.987 -9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.428 -8.173 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.233 -7.585 -9.873 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.157 -6.458 -7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.501 -6.356 -8.952 1.00 0.00 H new ATOM 501 N LEU A 65 -7.237 -4.250 -6.865 1.00 0.00 N ATOM 502 CA LEU A 65 -8.080 -3.461 -5.974 1.00 0.00 C ATOM 503 C LEU A 65 -7.726 -1.980 -6.059 1.00 0.00 C ATOM 504 O LEU A 65 -8.588 -1.139 -6.314 1.00 0.00 O ATOM 505 CB LEU A 65 -7.930 -3.951 -4.532 1.00 0.00 C ATOM 506 CG LEU A 65 -8.607 -5.282 -4.202 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.241 -5.732 -2.796 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.117 -5.164 -4.350 1.00 0.00 C ATOM 0 H LEU A 65 -6.511 -4.788 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.116 -3.586 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.867 -4.042 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.331 -3.187 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.251 -6.033 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.732 -6.681 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.161 -5.857 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.568 -4.981 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.582 -6.121 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.491 -4.399 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.362 -4.888 -5.376 1.00 0.00 H new ATOM 520 N PHE A 66 -6.452 -1.668 -5.846 1.00 0.00 N ATOM 521 CA PHE A 66 -5.984 -0.289 -5.900 1.00 0.00 C ATOM 522 C PHE A 66 -6.273 0.331 -7.264 1.00 0.00 C ATOM 523 O PHE A 66 -6.374 1.551 -7.394 1.00 0.00 O ATOM 524 CB PHE A 66 -4.483 -0.225 -5.607 1.00 0.00 C ATOM 525 CG PHE A 66 -4.108 -0.810 -4.275 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.944 -0.666 -3.180 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.918 -1.503 -4.118 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.601 -1.202 -1.953 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.570 -2.041 -2.894 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.413 -1.892 -1.811 1.00 0.00 C ATOM 0 H PHE A 66 -5.726 -2.352 -5.634 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.521 0.280 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.944 -0.755 -6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.158 0.815 -5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.875 -0.129 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.255 -1.624 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.261 -1.081 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.639 -2.578 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.144 -2.314 -0.854 1.00 0.00 H new ATOM 540 N GLU A 67 -6.405 -0.519 -8.278 1.00 0.00 N ATOM 541 CA GLU A 67 -6.681 -0.055 -9.632 1.00 0.00 C ATOM 542 C GLU A 67 -8.174 0.197 -9.827 1.00 0.00 C ATOM 543 O GLU A 67 -8.598 0.692 -10.871 1.00 0.00 O ATOM 544 CB GLU A 67 -6.188 -1.078 -10.657 1.00 0.00 C ATOM 545 CG GLU A 67 -4.717 -0.927 -11.009 1.00 0.00 C ATOM 546 CD GLU A 67 -4.408 -1.369 -12.426 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.038 -2.340 -12.895 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.537 -0.745 -13.066 1.00 0.00 O ATOM 0 H GLU A 67 -6.325 -1.532 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.148 0.884 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.358 -2.082 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.782 -0.984 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.423 0.115 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.118 -1.512 -10.311 1.00 0.00 H new ATOM 555 N GLU A 68 -8.963 -0.147 -8.815 1.00 0.00 N ATOM 556 CA GLU A 68 -10.408 0.041 -8.875 1.00 0.00 C ATOM 557 C GLU A 68 -10.790 1.461 -8.467 1.00 0.00 C ATOM 558 O GLU A 68 -11.872 1.945 -8.800 1.00 0.00 O ATOM 559 CB GLU A 68 -11.114 -0.969 -7.969 1.00 0.00 C ATOM 560 CG GLU A 68 -12.590 -1.144 -8.286 1.00 0.00 C ATOM 561 CD GLU A 68 -13.267 -2.152 -7.379 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.052 -2.084 -6.150 1.00 0.00 O ATOM 563 OE2 GLU A 68 -14.012 -3.010 -7.897 1.00 0.00 O ATOM 0 H GLU A 68 -8.627 -0.557 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.727 -0.120 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.615 -1.934 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.009 -0.650 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.094 -0.182 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.700 -1.463 -9.323 1.00 0.00 H new ATOM 570 N PHE A 69 -9.894 2.123 -7.743 1.00 0.00 N ATOM 571 CA PHE A 69 -10.136 3.487 -7.287 1.00 0.00 C ATOM 572 C PHE A 69 -9.399 4.493 -8.165 1.00 0.00 C ATOM 573 O PHE A 69 -9.968 5.497 -8.592 1.00 0.00 O ATOM 574 CB PHE A 69 -9.697 3.646 -5.830 1.00 0.00 C ATOM 575 CG PHE A 69 -10.423 2.735 -4.882 1.00 0.00 C ATOM 576 CD1 PHE A 69 -9.935 1.469 -4.606 1.00 0.00 C ATOM 577 CD2 PHE A 69 -11.595 3.146 -4.267 1.00 0.00 C ATOM 578 CE1 PHE A 69 -10.600 0.628 -3.734 1.00 0.00 C ATOM 579 CE2 PHE A 69 -12.265 2.310 -3.394 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.768 1.049 -3.128 1.00 0.00 C ATOM 0 H PHE A 69 -8.993 1.737 -7.459 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.206 3.683 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.627 3.453 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.856 4.679 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.023 1.134 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -11.989 4.130 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.207 -0.357 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.177 2.642 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.291 0.394 -2.448 1.00 0.00 H new ATOM 590 N GLY A 70 -8.125 4.216 -8.431 1.00 0.00 N ATOM 591 CA GLY A 70 -7.330 5.106 -9.256 1.00 0.00 C ATOM 592 C GLY A 70 -6.037 4.465 -9.720 1.00 0.00 C ATOM 593 O GLY A 70 -5.811 3.275 -9.498 1.00 0.00 O ATOM 0 H GLY A 70 -7.631 3.392 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.914 5.409 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.102 6.011 -8.693 1.00 0.00 H new ATOM 597 N ARG A 71 -5.186 5.254 -10.368 1.00 0.00 N ATOM 598 CA ARG A 71 -3.910 4.756 -10.867 1.00 0.00 C ATOM 599 C ARG A 71 -2.836 4.833 -9.786 1.00 0.00 C ATOM 600 O ARG A 71 -2.601 5.893 -9.206 1.00 0.00 O ATOM 601 CB ARG A 71 -3.471 5.555 -12.095 1.00 0.00 C ATOM 602 CG ARG A 71 -2.374 4.879 -12.902 1.00 0.00 C ATOM 603 CD ARG A 71 -2.465 5.239 -14.377 1.00 0.00 C ATOM 604 NE ARG A 71 -1.965 6.584 -14.644 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.506 6.976 -15.827 1.00 0.00 C ATOM 606 NH1 ARG A 71 -1.485 6.129 -16.847 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.067 8.217 -15.992 1.00 0.00 N ATOM 0 H ARG A 71 -5.357 6.241 -10.560 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.042 3.712 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.335 5.719 -12.739 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.122 6.536 -11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.400 5.175 -12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.448 3.798 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.895 4.518 -14.962 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.502 5.166 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.968 7.260 -13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.822 5.174 -16.724 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.132 6.432 -17.755 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.082 8.871 -15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.715 8.517 -16.901 1.00 0.00 H new ATOM 621 N ILE A 72 -2.188 3.704 -9.522 1.00 0.00 N ATOM 622 CA ILE A 72 -1.138 3.644 -8.512 1.00 0.00 C ATOM 623 C ILE A 72 0.126 4.349 -8.990 1.00 0.00 C ATOM 624 O ILE A 72 0.472 4.292 -10.171 1.00 0.00 O ATOM 625 CB ILE A 72 -0.793 2.189 -8.144 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.017 1.485 -7.554 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.369 2.152 -7.163 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.930 -0.024 -7.608 1.00 0.00 C ATOM 0 H ILE A 72 -2.371 2.818 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.522 4.152 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.495 1.662 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.141 1.797 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.907 1.809 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.601 1.117 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.243 2.620 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.097 2.692 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.831 -0.456 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.837 -0.346 -8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.059 -0.359 -7.045 1.00 0.00 H new ATOM 640 N TYR A 73 0.813 5.012 -8.067 1.00 0.00 N ATOM 641 CA TYR A 73 2.039 5.729 -8.394 1.00 0.00 C ATOM 642 C TYR A 73 3.268 4.918 -7.993 1.00 0.00 C ATOM 643 O TYR A 73 4.303 4.971 -8.657 1.00 0.00 O ATOM 644 CB TYR A 73 2.062 7.090 -7.694 1.00 0.00 C ATOM 645 CG TYR A 73 3.344 7.861 -7.912 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.537 7.438 -7.340 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.361 9.013 -8.688 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.711 8.140 -7.535 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.531 9.721 -8.890 1.00 0.00 C ATOM 650 CZ TYR A 73 5.703 9.280 -8.311 1.00 0.00 C ATOM 651 OH TYR A 73 6.869 9.983 -8.508 1.00 0.00 O ATOM 0 H TYR A 73 0.541 5.068 -7.085 1.00 0.00 H new ATOM 0 HA TYR A 73 2.063 5.882 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.223 7.687 -8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.914 6.942 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.547 6.545 -6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.445 9.361 -9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.630 7.798 -7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.528 10.614 -9.497 1.00 0.00 H new ATOM 0 HH TYR A 73 6.691 10.759 -9.079 1.00 0.00 H new ATOM 661 N GLU A 74 3.144 4.169 -6.902 1.00 0.00 N ATOM 662 CA GLU A 74 4.244 3.347 -6.412 1.00 0.00 C ATOM 663 C GLU A 74 3.732 2.251 -5.482 1.00 0.00 C ATOM 664 O GLU A 74 3.191 2.532 -4.411 1.00 0.00 O ATOM 665 CB GLU A 74 5.271 4.213 -5.680 1.00 0.00 C ATOM 666 CG GLU A 74 6.423 3.421 -5.085 1.00 0.00 C ATOM 667 CD GLU A 74 7.709 4.222 -5.017 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.880 4.985 -4.044 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.543 4.086 -5.936 1.00 0.00 O ATOM 0 H GLU A 74 2.294 4.114 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 74 4.722 2.877 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.670 4.953 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.769 4.762 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.152 3.090 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.589 2.524 -5.682 1.00 0.00 H new ATOM 676 N LEU A 75 3.906 1.001 -5.898 1.00 0.00 N ATOM 677 CA LEU A 75 3.461 -0.138 -5.103 1.00 0.00 C ATOM 678 C LEU A 75 4.630 -1.061 -4.772 1.00 0.00 C ATOM 679 O LEU A 75 5.223 -1.674 -5.660 1.00 0.00 O ATOM 680 CB LEU A 75 2.379 -0.917 -5.853 1.00 0.00 C ATOM 681 CG LEU A 75 1.588 -1.932 -5.027 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.256 -1.363 -3.657 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.318 -2.341 -5.759 1.00 0.00 C ATOM 0 H LEU A 75 4.352 0.751 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 75 3.046 0.242 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.677 -0.202 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.848 -1.442 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 75 2.206 -2.819 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.693 -2.100 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.179 -1.121 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.658 -0.459 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.232 -3.064 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.303 -1.462 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.579 -2.791 -6.717 1.00 0.00 H new ATOM 695 N THR A 76 4.956 -1.156 -3.487 1.00 0.00 N ATOM 696 CA THR A 76 6.053 -2.004 -3.037 1.00 0.00 C ATOM 697 C THR A 76 5.670 -2.779 -1.782 1.00 0.00 C ATOM 698 O THR A 76 4.807 -2.352 -1.016 1.00 0.00 O ATOM 699 CB THR A 76 7.321 -1.177 -2.750 1.00 0.00 C ATOM 700 OG1 THR A 76 7.958 -0.815 -3.980 1.00 0.00 O ATOM 701 CG2 THR A 76 8.293 -1.961 -1.881 1.00 0.00 C ATOM 0 H THR A 76 4.476 -0.656 -2.739 1.00 0.00 H new ATOM 0 HA THR A 76 6.261 -2.706 -3.844 1.00 0.00 H new ATOM 0 HB THR A 76 7.026 -0.274 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.762 -0.288 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.180 -1.357 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.815 -2.210 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.581 -2.878 -2.394 1.00 0.00 H new ATOM 709 N VAL A 77 6.319 -3.921 -1.576 1.00 0.00 N ATOM 710 CA VAL A 77 6.048 -4.755 -0.411 1.00 0.00 C ATOM 711 C VAL A 77 7.256 -4.813 0.516 1.00 0.00 C ATOM 712 O VAL A 77 8.394 -4.952 0.065 1.00 0.00 O ATOM 713 CB VAL A 77 5.662 -6.187 -0.825 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.309 -7.020 0.399 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.507 -6.163 -1.814 1.00 0.00 C ATOM 0 H VAL A 77 7.036 -4.290 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 77 5.211 -4.299 0.118 1.00 0.00 H new ATOM 0 HB VAL A 77 6.520 -6.648 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.039 -8.029 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.168 -7.065 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.467 -6.563 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.248 -7.184 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.643 -5.683 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.801 -5.605 -2.703 1.00 0.00 H new ATOM 725 N LEU A 78 7.003 -4.707 1.816 1.00 0.00 N ATOM 726 CA LEU A 78 8.070 -4.748 2.810 1.00 0.00 C ATOM 727 C LEU A 78 8.393 -6.186 3.202 1.00 0.00 C ATOM 728 O LEU A 78 7.498 -6.973 3.513 1.00 0.00 O ATOM 729 CB LEU A 78 7.671 -3.946 4.050 1.00 0.00 C ATOM 730 CG LEU A 78 7.576 -2.431 3.867 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.627 -1.828 4.892 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.954 -1.794 3.973 1.00 0.00 C ATOM 0 H LEU A 78 6.068 -4.592 2.206 1.00 0.00 H new ATOM 0 HA LEU A 78 8.961 -4.302 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.705 -4.311 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.394 -4.152 4.839 1.00 0.00 H new ATOM 0 HG LEU A 78 7.180 -2.228 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.572 -0.749 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.635 -2.262 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.993 -2.040 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.868 -0.716 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.378 -2.006 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.605 -2.204 3.200 1.00 0.00 H new ATOM 744 N LYS A 79 9.678 -6.523 3.189 1.00 0.00 N ATOM 745 CA LYS A 79 10.122 -7.865 3.546 1.00 0.00 C ATOM 746 C LYS A 79 11.240 -7.811 4.582 1.00 0.00 C ATOM 747 O LYS A 79 11.893 -6.781 4.751 1.00 0.00 O ATOM 748 CB LYS A 79 10.601 -8.615 2.301 1.00 0.00 C ATOM 749 CG LYS A 79 9.470 -9.105 1.414 1.00 0.00 C ATOM 750 CD LYS A 79 9.882 -10.326 0.609 1.00 0.00 C ATOM 751 CE LYS A 79 8.909 -10.599 -0.528 1.00 0.00 C ATOM 752 NZ LYS A 79 7.672 -11.275 -0.048 1.00 0.00 N ATOM 0 H LYS A 79 10.431 -5.884 2.935 1.00 0.00 H new ATOM 0 HA LYS A 79 9.275 -8.397 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.250 -7.960 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.204 -9.468 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.604 -9.349 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.166 -8.307 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.883 -10.175 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.931 -11.196 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.645 -9.660 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.394 -11.221 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.034 -11.444 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.922 -12.183 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.195 -10.671 0.651 1.00 0.00 H new ATOM 766 N ASP A 80 11.457 -8.925 5.272 1.00 0.00 N ATOM 767 CA ASP A 80 12.498 -9.005 6.289 1.00 0.00 C ATOM 768 C ASP A 80 13.884 -8.969 5.652 1.00 0.00 C ATOM 769 O ASP A 80 14.015 -8.832 4.435 1.00 0.00 O ATOM 770 CB ASP A 80 12.337 -10.282 7.116 1.00 0.00 C ATOM 771 CG ASP A 80 12.926 -10.149 8.506 1.00 0.00 C ATOM 772 OD1 ASP A 80 12.730 -9.088 9.135 1.00 0.00 O ATOM 773 OD2 ASP A 80 13.582 -11.107 8.966 1.00 0.00 O ATOM 0 H ASP A 80 10.925 -9.786 5.145 1.00 0.00 H new ATOM 0 HA ASP A 80 12.396 -8.141 6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.278 -10.529 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.820 -11.110 6.598 1.00 0.00 H new ATOM 778 N ARG A 81 14.915 -9.090 6.482 1.00 0.00 N ATOM 779 CA ARG A 81 16.291 -9.069 6.000 1.00 0.00 C ATOM 780 C ARG A 81 16.979 -10.405 6.261 1.00 0.00 C ATOM 781 O ARG A 81 17.743 -10.896 5.428 1.00 0.00 O ATOM 782 CB ARG A 81 17.072 -7.940 6.675 1.00 0.00 C ATOM 783 CG ARG A 81 18.292 -7.489 5.888 1.00 0.00 C ATOM 784 CD ARG A 81 19.489 -8.390 6.151 1.00 0.00 C ATOM 785 NE ARG A 81 20.754 -7.710 5.885 1.00 0.00 N ATOM 786 CZ ARG A 81 21.223 -6.714 6.628 1.00 0.00 C ATOM 787 NH1 ARG A 81 20.536 -6.284 7.677 1.00 0.00 N ATOM 788 NH2 ARG A 81 22.383 -6.146 6.323 1.00 0.00 N ATOM 0 H ARG A 81 14.823 -9.204 7.492 1.00 0.00 H new ATOM 0 HA ARG A 81 16.271 -8.895 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.409 -7.087 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.390 -8.270 7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.061 -7.491 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.541 -6.463 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.469 -8.726 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 81 19.417 -9.280 5.526 1.00 0.00 H new ATOM 0 HE ARG A 81 21.307 -8.017 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.644 -6.718 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.899 -5.519 8.246 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.915 -6.474 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.742 -5.381 6.894 1.00 0.00 H new ATOM 802 N LEU A 82 16.704 -10.989 7.422 1.00 0.00 N ATOM 803 CA LEU A 82 17.298 -12.269 7.794 1.00 0.00 C ATOM 804 C LEU A 82 16.537 -13.427 7.157 1.00 0.00 C ATOM 805 O LEU A 82 17.137 -14.385 6.668 1.00 0.00 O ATOM 806 CB LEU A 82 17.307 -12.426 9.316 1.00 0.00 C ATOM 807 CG LEU A 82 18.499 -11.808 10.047 1.00 0.00 C ATOM 808 CD1 LEU A 82 18.101 -11.381 11.451 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.662 -12.788 10.095 1.00 0.00 C ATOM 0 H LEU A 82 16.074 -10.597 8.122 1.00 0.00 H new ATOM 0 HA LEU A 82 18.324 -12.286 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.394 -11.983 9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.273 -13.490 9.552 1.00 0.00 H new ATOM 0 HG LEU A 82 18.819 -10.923 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.962 -10.943 11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.300 -10.643 11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.755 -12.250 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.501 -12.331 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.355 -13.692 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.964 -13.044 9.080 1.00 0.00 H new ATOM 821 N THR A 83 15.211 -13.333 7.163 1.00 0.00 N ATOM 822 CA THR A 83 14.368 -14.371 6.585 1.00 0.00 C ATOM 823 C THR A 83 13.866 -13.967 5.204 1.00 0.00 C ATOM 824 O THR A 83 13.263 -14.769 4.492 1.00 0.00 O ATOM 825 CB THR A 83 13.159 -14.681 7.488 1.00 0.00 C ATOM 826 OG1 THR A 83 12.455 -13.472 7.795 1.00 0.00 O ATOM 827 CG2 THR A 83 13.604 -15.356 8.776 1.00 0.00 C ATOM 0 H THR A 83 14.698 -12.547 7.562 1.00 0.00 H new ATOM 0 HA THR A 83 14.985 -15.265 6.497 1.00 0.00 H new ATOM 0 HB THR A 83 12.497 -15.361 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.035 -12.879 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.733 -15.565 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.114 -16.290 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.285 -14.697 9.316 1.00 0.00 H new ATOM 835 N GLY A 84 14.120 -12.716 4.830 1.00 0.00 N ATOM 836 CA GLY A 84 13.687 -12.227 3.534 1.00 0.00 C ATOM 837 C GLY A 84 12.284 -12.681 3.182 1.00 0.00 C ATOM 838 O GLY A 84 11.956 -12.854 2.007 1.00 0.00 O ATOM 0 H GLY A 84 14.618 -12.033 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.725 -11.138 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.381 -12.574 2.768 1.00 0.00 H new ATOM 842 N LEU A 85 11.454 -12.876 4.201 1.00 0.00 N ATOM 843 CA LEU A 85 10.078 -13.315 3.993 1.00 0.00 C ATOM 844 C LEU A 85 9.119 -12.129 4.018 1.00 0.00 C ATOM 845 O LEU A 85 9.512 -11.006 4.334 1.00 0.00 O ATOM 846 CB LEU A 85 9.679 -14.331 5.065 1.00 0.00 C ATOM 847 CG LEU A 85 10.016 -15.792 4.764 1.00 0.00 C ATOM 848 CD1 LEU A 85 9.811 -16.652 6.001 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.170 -16.306 3.609 1.00 0.00 C ATOM 0 H LEU A 85 11.709 -12.737 5.179 1.00 0.00 H new ATOM 0 HA LEU A 85 10.017 -13.787 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.165 -14.052 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.604 -14.253 5.229 1.00 0.00 H new ATOM 0 HG LEU A 85 11.065 -15.852 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.056 -17.688 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.459 -16.297 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.771 -16.588 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.423 -17.347 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.114 -16.233 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.366 -15.707 2.720 1.00 0.00 H new ATOM 861 N HIS A 86 7.859 -12.387 3.684 1.00 0.00 N ATOM 862 CA HIS A 86 6.842 -11.342 3.671 1.00 0.00 C ATOM 863 C HIS A 86 6.430 -10.965 5.091 1.00 0.00 C ATOM 864 O HIS A 86 5.751 -11.731 5.775 1.00 0.00 O ATOM 865 CB HIS A 86 5.618 -11.801 2.877 1.00 0.00 C ATOM 866 CG HIS A 86 4.700 -10.682 2.492 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.213 -9.762 3.397 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.181 -10.337 1.291 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.433 -8.901 2.769 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.397 -9.227 1.489 1.00 0.00 N ATOM 0 H HIS A 86 7.518 -13.311 3.419 1.00 0.00 H new ATOM 0 HA HIS A 86 7.268 -10.462 3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.952 -12.313 1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.063 -12.528 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.352 -10.841 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.913 -8.071 3.224 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.872 -8.735 0.766 1.00 0.00 H new ATOM 879 N LYS A 87 6.847 -9.782 5.529 1.00 0.00 N ATOM 880 CA LYS A 87 6.522 -9.303 6.867 1.00 0.00 C ATOM 881 C LYS A 87 5.012 -9.251 7.074 1.00 0.00 C ATOM 882 O LYS A 87 4.493 -9.768 8.063 1.00 0.00 O ATOM 883 CB LYS A 87 7.127 -7.916 7.095 1.00 0.00 C ATOM 884 CG LYS A 87 8.610 -7.945 7.422 1.00 0.00 C ATOM 885 CD LYS A 87 9.312 -6.688 6.937 1.00 0.00 C ATOM 886 CE LYS A 87 8.984 -5.492 7.818 1.00 0.00 C ATOM 887 NZ LYS A 87 7.744 -4.799 7.372 1.00 0.00 N ATOM 0 H LYS A 87 7.411 -9.137 4.976 1.00 0.00 H new ATOM 0 HA LYS A 87 6.946 -10.001 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.972 -7.310 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.594 -7.426 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.744 -8.045 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.068 -8.820 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.390 -6.851 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.015 -6.477 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.864 -5.823 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.818 -4.790 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.941 -3.786 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.421 -5.210 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.003 -4.916 8.092 1.00 0.00 H new ATOM 901 N GLY A 88 4.310 -8.625 6.134 1.00 0.00 N ATOM 902 CA GLY A 88 2.867 -8.519 6.232 1.00 0.00 C ATOM 903 C GLY A 88 2.377 -7.094 6.067 1.00 0.00 C ATOM 904 O GLY A 88 1.494 -6.645 6.799 1.00 0.00 O ATOM 0 H GLY A 88 4.716 -8.189 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.407 -9.148 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.543 -8.902 7.200 1.00 0.00 H new ATOM 908 N CYS A 89 2.953 -6.380 5.106 1.00 0.00 N ATOM 909 CA CYS A 89 2.571 -4.996 4.849 1.00 0.00 C ATOM 910 C CYS A 89 3.233 -4.477 3.576 1.00 0.00 C ATOM 911 O CYS A 89 4.316 -4.924 3.201 1.00 0.00 O ATOM 912 CB CYS A 89 2.956 -4.110 6.035 1.00 0.00 C ATOM 913 SG CYS A 89 4.493 -4.598 6.853 1.00 0.00 S ATOM 0 H CYS A 89 3.686 -6.736 4.492 1.00 0.00 H new ATOM 0 HA CYS A 89 1.490 -4.962 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.052 -3.081 5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.147 -4.127 6.765 1.00 0.00 H new ATOM 0 HG CYS A 89 4.735 -3.788 7.841 1.00 0.00 H new ATOM 919 N ALA A 90 2.572 -3.532 2.915 1.00 0.00 N ATOM 920 CA ALA A 90 3.096 -2.953 1.684 1.00 0.00 C ATOM 921 C ALA A 90 2.900 -1.440 1.663 1.00 0.00 C ATOM 922 O ALA A 90 1.993 -0.913 2.307 1.00 0.00 O ATOM 923 CB ALA A 90 2.428 -3.590 0.475 1.00 0.00 C ATOM 0 H ALA A 90 1.673 -3.151 3.211 1.00 0.00 H new ATOM 0 HA ALA A 90 4.166 -3.156 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.829 -3.148 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.623 -4.662 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.353 -3.417 0.520 1.00 0.00 H new ATOM 929 N PHE A 91 3.757 -0.748 0.920 1.00 0.00 N ATOM 930 CA PHE A 91 3.679 0.704 0.817 1.00 0.00 C ATOM 931 C PHE A 91 3.068 1.123 -0.517 1.00 0.00 C ATOM 932 O PHE A 91 3.681 0.960 -1.573 1.00 0.00 O ATOM 933 CB PHE A 91 5.071 1.323 0.968 1.00 0.00 C ATOM 934 CG PHE A 91 5.449 1.604 2.395 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.559 2.230 3.251 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.696 1.241 2.878 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.905 2.490 4.564 1.00 0.00 C ATOM 938 CE2 PHE A 91 7.048 1.498 4.190 1.00 0.00 C ATOM 939 CZ PHE A 91 6.150 2.123 5.034 1.00 0.00 C ATOM 0 H PHE A 91 4.513 -1.169 0.381 1.00 0.00 H new ATOM 0 HA PHE A 91 3.038 1.066 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.809 0.650 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.111 2.252 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.583 2.519 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.401 0.752 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.202 2.980 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.023 1.211 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.422 2.324 6.060 1.00 0.00 H new ATOM 949 N LEU A 92 1.855 1.662 -0.461 1.00 0.00 N ATOM 950 CA LEU A 92 1.158 2.103 -1.665 1.00 0.00 C ATOM 951 C LEU A 92 1.096 3.626 -1.730 1.00 0.00 C ATOM 952 O LEU A 92 0.849 4.293 -0.724 1.00 0.00 O ATOM 953 CB LEU A 92 -0.257 1.522 -1.701 1.00 0.00 C ATOM 954 CG LEU A 92 -1.208 2.134 -2.730 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.789 1.747 -4.140 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.640 1.698 -2.459 1.00 0.00 C ATOM 0 H LEU A 92 1.334 1.804 0.404 1.00 0.00 H new ATOM 0 HA LEU A 92 1.714 1.742 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.184 0.452 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.701 1.637 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.157 3.219 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.477 2.191 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.221 2.110 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.810 0.662 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.303 2.143 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.707 0.612 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.938 2.026 -1.463 1.00 0.00 H new ATOM 968 N THR A 93 1.320 4.172 -2.921 1.00 0.00 N ATOM 969 CA THR A 93 1.290 5.615 -3.119 1.00 0.00 C ATOM 970 C THR A 93 0.424 5.988 -4.317 1.00 0.00 C ATOM 971 O THR A 93 0.694 5.571 -5.444 1.00 0.00 O ATOM 972 CB THR A 93 2.706 6.185 -3.326 1.00 0.00 C ATOM 973 OG1 THR A 93 3.524 5.888 -2.189 1.00 0.00 O ATOM 974 CG2 THR A 93 2.658 7.689 -3.545 1.00 0.00 C ATOM 0 H THR A 93 1.524 3.635 -3.764 1.00 0.00 H new ATOM 0 HA THR A 93 0.862 6.048 -2.215 1.00 0.00 H new ATOM 0 HB THR A 93 3.135 5.719 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.423 6.252 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.670 8.068 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.059 7.909 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.211 8.169 -2.675 1.00 0.00 H new ATOM 982 N TYR A 94 -0.616 6.776 -4.067 1.00 0.00 N ATOM 983 CA TYR A 94 -1.523 7.203 -5.126 1.00 0.00 C ATOM 984 C TYR A 94 -1.007 8.468 -5.807 1.00 0.00 C ATOM 985 O TYR A 94 -0.451 9.354 -5.157 1.00 0.00 O ATOM 986 CB TYR A 94 -2.922 7.450 -4.560 1.00 0.00 C ATOM 987 CG TYR A 94 -3.811 6.227 -4.588 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.375 5.782 -5.777 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.087 5.518 -3.425 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.189 4.666 -5.807 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.898 4.400 -3.447 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.446 3.978 -4.640 1.00 0.00 C ATOM 993 OH TYR A 94 -6.256 2.865 -4.665 1.00 0.00 O ATOM 0 H TYR A 94 -0.852 7.132 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.575 6.407 -5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.832 7.800 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.399 8.249 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.174 6.317 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.660 5.846 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.622 4.334 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.102 3.859 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.271 2.492 -5.571 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.197 8.544 -7.120 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.751 9.699 -7.891 1.00 0.00 C ATOM 1005 C CYS A 95 -1.475 10.964 -7.441 1.00 0.00 C ATOM 1006 O CYS A 95 -0.878 12.037 -7.361 1.00 0.00 O ATOM 1007 CB CYS A 95 -0.988 9.464 -9.383 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.724 9.221 -9.826 1.00 0.00 S ATOM 0 H CYS A 95 -1.657 7.820 -7.672 1.00 0.00 H new ATOM 0 HA CYS A 95 0.317 9.832 -7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.598 10.316 -9.940 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.418 8.589 -9.697 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.028 7.962 -9.714 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.765 10.830 -7.152 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.570 11.963 -6.711 1.00 0.00 C ATOM 1016 C ALA A 96 -3.733 11.963 -5.195 1.00 0.00 C ATOM 1017 O ALA A 96 -3.209 11.088 -4.505 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.932 11.938 -7.390 1.00 0.00 C ATOM 0 H ALA A 96 -3.275 9.949 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.051 12.879 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.523 12.789 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.801 11.994 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.449 11.013 -7.134 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.461 12.949 -4.682 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.691 13.064 -3.247 1.00 0.00 C ATOM 1026 C ARG A 97 -5.992 12.373 -2.848 1.00 0.00 C ATOM 1027 O ARG A 97 -6.058 11.700 -1.820 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.734 14.536 -2.832 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.643 14.807 -1.644 1.00 0.00 C ATOM 1030 CD ARG A 97 -7.020 15.270 -2.090 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.979 16.592 -2.709 1.00 0.00 N ATOM 1032 CZ ARG A 97 -8.060 17.327 -2.946 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -9.261 16.872 -2.616 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.941 18.521 -3.513 1.00 0.00 N ATOM 0 H ARG A 97 -4.902 13.681 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.866 12.573 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.724 14.866 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.069 15.134 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.739 13.902 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.192 15.566 -1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.433 14.551 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.691 15.293 -1.231 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.070 16.972 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.357 15.955 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.089 17.439 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.019 18.875 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.772 19.084 -3.695 1.00 0.00 H new ATOM 1048 N ASP A 98 -7.023 12.546 -3.668 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.322 11.939 -3.401 1.00 0.00 C ATOM 1050 C ASP A 98 -8.258 10.424 -3.567 1.00 0.00 C ATOM 1051 O ASP A 98 -8.744 9.675 -2.720 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.383 12.523 -4.334 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.772 12.484 -3.728 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.980 11.709 -2.771 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -11.652 13.227 -4.211 1.00 0.00 O ATOM 0 H ASP A 98 -6.985 13.101 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.595 12.162 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.123 13.554 -4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.383 11.968 -5.272 1.00 0.00 H new ATOM 1060 N SER A 99 -7.657 9.979 -4.666 1.00 0.00 N ATOM 1061 CA SER A 99 -7.534 8.553 -4.947 1.00 0.00 C ATOM 1062 C SER A 99 -7.185 7.778 -3.680 1.00 0.00 C ATOM 1063 O SER A 99 -7.748 6.717 -3.414 1.00 0.00 O ATOM 1064 CB SER A 99 -6.466 8.313 -6.016 1.00 0.00 C ATOM 1065 OG SER A 99 -6.838 8.901 -7.250 1.00 0.00 O ATOM 0 H SER A 99 -7.248 10.585 -5.377 1.00 0.00 H new ATOM 0 HA SER A 99 -8.495 8.196 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.515 8.729 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.316 7.242 -6.151 1.00 0.00 H new ATOM 0 HG SER A 99 -6.138 8.735 -7.916 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.252 8.317 -2.902 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.829 7.679 -1.662 1.00 0.00 C ATOM 1073 C ALA A 100 -6.963 7.653 -0.643 1.00 0.00 C ATOM 1074 O ALA A 100 -7.330 6.593 -0.133 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.616 8.395 -1.087 1.00 0.00 C ATOM 0 H ALA A 100 -5.775 9.194 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.555 6.648 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.311 7.908 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.796 8.356 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.870 9.435 -0.883 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.515 8.825 -0.349 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.608 8.937 0.610 1.00 0.00 C ATOM 1083 C LEU A 101 -9.720 7.944 0.288 1.00 0.00 C ATOM 1084 O LEU A 101 -10.238 7.266 1.175 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.166 10.362 0.614 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.142 11.483 0.796 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.719 12.813 0.335 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.698 11.568 2.249 1.00 0.00 C ATOM 0 H LEU A 101 -7.223 9.711 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.215 8.705 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.693 10.527 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.905 10.439 1.411 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.270 11.256 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.976 13.599 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.987 12.747 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.607 13.047 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.969 12.371 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.562 11.771 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.244 10.623 2.547 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.081 7.863 -0.988 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.129 6.950 -1.430 1.00 0.00 C ATOM 1102 C LYS A 102 -10.763 5.505 -1.111 1.00 0.00 C ATOM 1103 O LYS A 102 -11.368 4.879 -0.241 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.369 7.106 -2.934 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.656 8.536 -3.359 1.00 0.00 C ATOM 1106 CD LYS A 102 -11.618 8.686 -4.870 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.496 9.837 -5.338 1.00 0.00 C ATOM 1108 NZ LYS A 102 -12.642 9.856 -6.820 1.00 0.00 N ATOM 0 H LYS A 102 -9.663 8.419 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.044 7.201 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.493 6.745 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.207 6.474 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.635 8.838 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.923 9.205 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.591 8.855 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.951 7.759 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.480 9.754 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.066 10.781 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.247 10.655 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.705 9.961 -7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.076 8.966 -7.138 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.767 4.981 -1.819 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.318 3.611 -1.607 1.00 0.00 C ATOM 1124 C ALA A 103 -8.957 3.371 -0.145 1.00 0.00 C ATOM 1125 O ALA A 103 -8.911 2.229 0.312 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.128 3.301 -2.504 1.00 0.00 C ATOM 0 H ALA A 103 -9.256 5.485 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.139 2.942 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.803 2.274 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.418 3.423 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.310 3.983 -2.272 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.701 4.453 0.582 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.343 4.359 1.992 1.00 0.00 C ATOM 1134 C GLN A 104 -9.578 4.112 2.852 1.00 0.00 C ATOM 1135 O GLN A 104 -9.619 3.167 3.640 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.636 5.637 2.447 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.249 5.627 3.917 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.153 7.022 4.505 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.797 7.330 5.508 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.347 7.873 3.882 1.00 0.00 N ATOM 0 H GLN A 104 -8.735 5.405 0.218 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.664 3.515 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.739 5.780 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.287 6.490 2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.984 5.050 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.290 5.121 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.832 7.574 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.242 8.825 4.232 1.00 0.00 H new ATOM 1149 N SER A 105 -10.582 4.969 2.697 1.00 0.00 N ATOM 1150 CA SER A 105 -11.817 4.847 3.463 1.00 0.00 C ATOM 1151 C SER A 105 -12.732 3.790 2.852 1.00 0.00 C ATOM 1152 O SER A 105 -13.743 3.413 3.443 1.00 0.00 O ATOM 1153 CB SER A 105 -12.541 6.193 3.521 1.00 0.00 C ATOM 1154 OG SER A 105 -13.704 6.112 4.327 1.00 0.00 O ATOM 0 H SER A 105 -10.565 5.756 2.048 1.00 0.00 H new ATOM 0 HA SER A 105 -11.559 4.538 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.870 6.953 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.814 6.506 2.513 1.00 0.00 H new ATOM 0 HG SER A 105 -14.025 5.186 4.345 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.370 3.318 1.664 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.156 2.304 0.972 1.00 0.00 C ATOM 1162 C ALA A 106 -12.604 0.907 1.235 1.00 0.00 C ATOM 1163 O ALA A 106 -13.291 -0.093 1.023 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.188 2.588 -0.522 1.00 0.00 C ATOM 0 H ALA A 106 -11.537 3.622 1.160 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.174 2.343 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.779 1.822 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.637 3.566 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.172 2.580 -0.916 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.361 0.845 1.698 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.716 -0.430 1.990 1.00 0.00 C ATOM 1172 C LEU A 107 -10.466 -0.584 3.487 1.00 0.00 C ATOM 1173 O LEU A 107 -10.715 -1.644 4.063 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.395 -0.543 1.227 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.505 -0.638 -0.295 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.136 -0.490 -0.940 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.148 -1.956 -0.702 1.00 0.00 C ATOM 0 H LEU A 107 -10.779 1.663 1.879 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.384 -1.229 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.781 0.323 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.864 -1.424 1.589 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.139 0.177 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.235 -0.560 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.712 0.479 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.478 -1.283 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.218 -2.006 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.540 -2.785 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.147 -2.022 -0.270 1.00 0.00 H new ATOM 1189 N HIS A 108 -9.974 0.480 4.112 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.693 0.465 5.544 1.00 0.00 C ATOM 1191 C HIS A 108 -10.881 -0.091 6.324 1.00 0.00 C ATOM 1192 O HIS A 108 -11.871 0.607 6.544 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.359 1.873 6.035 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.836 1.910 7.438 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.538 1.578 7.766 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.443 2.244 8.601 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.370 1.705 9.070 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.511 2.108 9.600 1.00 0.00 N ATOM 0 H HIS A 108 -9.761 1.364 3.650 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.833 -0.183 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.619 2.315 5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.254 2.492 5.973 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.469 2.559 8.721 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.455 1.512 9.611 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.673 2.289 10.591 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.774 -1.349 6.739 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.841 -1.997 7.493 1.00 0.00 C ATOM 1208 C GLU A 109 -13.102 -2.135 6.644 1.00 0.00 C ATOM 1209 O GLU A 109 -14.217 -1.999 7.146 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.152 -1.203 8.763 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.939 -0.969 9.648 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.314 -0.681 11.088 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.113 -1.453 11.658 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -10.810 0.316 11.645 1.00 0.00 O ATOM 0 H GLU A 109 -9.960 -1.939 6.566 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.501 -2.995 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.578 -0.240 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.912 -1.734 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.294 -1.847 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.362 -0.133 9.253 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.914 -2.405 5.356 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.036 -2.559 4.437 1.00 0.00 C ATOM 1223 C GLN A 110 -13.917 -3.858 3.647 1.00 0.00 C ATOM 1224 O GLN A 110 -14.895 -4.585 3.475 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.105 -1.369 3.479 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.959 -0.222 3.994 1.00 0.00 C ATOM 1227 CD GLN A 110 -14.245 0.616 5.036 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -14.623 0.625 6.208 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -13.205 1.326 4.614 1.00 0.00 N ATOM 0 H GLN A 110 -11.997 -2.522 4.926 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.953 -2.596 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.095 -1.004 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.503 -1.706 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.248 0.414 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.878 -0.622 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.926 1.289 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.685 1.908 5.270 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.711 -4.144 3.166 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.463 -5.355 2.394 1.00 0.00 C ATOM 1240 C LYS A 111 -11.852 -6.444 3.270 1.00 0.00 C ATOM 1241 O LYS A 111 -11.255 -6.157 4.309 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.533 -5.053 1.216 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.775 -5.939 0.007 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.139 -5.681 -0.610 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.130 -5.935 -2.110 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.497 -5.848 -2.695 1.00 0.00 N ATOM 0 H LYS A 111 -11.890 -3.553 3.298 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.419 -5.714 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.659 -4.011 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.499 -5.170 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.999 -5.761 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.700 -6.986 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.881 -6.323 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.438 -4.651 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.479 -5.209 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.712 -6.922 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.449 -6.027 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.112 -6.558 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.886 -4.898 -2.528 1.00 0.00 H new ATOM 1260 N THR A 112 -12.004 -7.694 2.846 1.00 0.00 N ATOM 1261 CA THR A 112 -11.467 -8.825 3.592 1.00 0.00 C ATOM 1262 C THR A 112 -10.766 -9.812 2.665 1.00 0.00 C ATOM 1263 O THR A 112 -11.406 -10.673 2.059 1.00 0.00 O ATOM 1264 CB THR A 112 -12.575 -9.564 4.366 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.141 -8.698 5.356 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.025 -10.815 5.035 1.00 0.00 C ATOM 0 H THR A 112 -12.495 -7.949 1.989 1.00 0.00 H new ATOM 0 HA THR A 112 -10.745 -8.421 4.302 1.00 0.00 H new ATOM 0 HB THR A 112 -13.348 -9.860 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.846 -9.174 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.825 -11.320 5.576 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.620 -11.485 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.235 -10.537 5.733 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.448 -9.683 2.560 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.659 -10.565 1.707 1.00 0.00 C ATOM 1276 C LEU A 113 -8.950 -12.030 2.020 1.00 0.00 C ATOM 1277 O LEU A 113 -9.363 -12.384 3.125 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.167 -10.281 1.887 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.646 -8.994 1.245 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.246 -8.676 1.746 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.658 -9.113 -0.272 1.00 0.00 C ATOM 0 H LEU A 113 -8.903 -8.977 3.055 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.937 -10.371 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.951 -10.244 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.606 -11.121 1.477 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.306 -8.175 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.892 -7.757 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.267 -8.547 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.574 -9.495 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.284 -8.189 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.021 -9.944 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.677 -9.292 -0.615 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.729 -12.903 1.026 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.958 -14.343 1.173 1.00 0.00 C ATOM 1295 C PRO A 114 -7.947 -15.000 2.106 1.00 0.00 C ATOM 1296 O PRO A 114 -6.752 -15.034 1.817 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.794 -14.875 -0.253 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.907 -13.885 -0.927 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.237 -12.551 -0.316 1.00 0.00 C ATOM 0 HA PRO A 114 -9.931 -14.557 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.350 -15.870 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.756 -14.954 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.857 -14.135 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.080 -13.875 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.361 -11.904 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.993 -12.020 -0.895 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.435 -15.521 3.228 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.560 -16.170 4.187 1.00 0.00 C ATOM 1309 C GLY A 115 -7.309 -15.315 5.413 1.00 0.00 C ATOM 1310 O GLY A 115 -6.611 -15.733 6.337 1.00 0.00 O ATOM 0 H GLY A 115 -9.421 -15.505 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.001 -17.118 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.609 -16.401 3.708 1.00 0.00 H new ATOM 1314 N MET A 116 -7.878 -14.114 5.423 1.00 0.00 N ATOM 1315 CA MET A 116 -7.711 -13.199 6.546 1.00 0.00 C ATOM 1316 C MET A 116 -9.032 -12.994 7.281 1.00 0.00 C ATOM 1317 O MET A 116 -10.001 -12.496 6.708 1.00 0.00 O ATOM 1318 CB MET A 116 -7.172 -11.853 6.058 1.00 0.00 C ATOM 1319 CG MET A 116 -5.669 -11.849 5.825 1.00 0.00 C ATOM 1320 SD MET A 116 -4.733 -12.195 7.326 1.00 0.00 S ATOM 1321 CE MET A 116 -3.364 -11.055 7.142 1.00 0.00 C ATOM 0 H MET A 116 -8.458 -13.752 4.666 1.00 0.00 H new ATOM 0 HA MET A 116 -6.994 -13.640 7.239 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.676 -11.584 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.420 -11.084 6.790 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.421 -12.592 5.067 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.369 -10.878 5.430 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.694 -11.150 7.996 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.819 -11.285 6.226 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.744 -10.035 7.091 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.063 -13.381 8.552 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.266 -13.240 9.364 1.00 0.00 C ATOM 1333 C ASN A 117 -10.645 -11.772 9.525 1.00 0.00 C ATOM 1334 O ASN A 117 -11.826 -11.428 9.589 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.055 -13.878 10.739 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.747 -15.360 10.649 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.703 -15.817 11.113 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.657 -16.117 10.048 1.00 0.00 N ATOM 0 H ASN A 117 -8.269 -13.794 9.042 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.081 -13.753 8.854 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.237 -13.370 11.250 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.949 -13.732 11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.505 -17.121 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.508 -15.694 9.678 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.636 -10.909 9.589 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.863 -9.477 9.743 1.00 0.00 C ATOM 1347 C ARG A 118 -9.761 -8.763 8.398 1.00 0.00 C ATOM 1348 O ARG A 118 -9.128 -9.244 7.458 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.854 -8.882 10.726 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.219 -9.108 12.184 1.00 0.00 C ATOM 1351 CD ARG A 118 -10.491 -8.365 12.562 1.00 0.00 C ATOM 1352 NE ARG A 118 -10.759 -8.433 13.996 1.00 0.00 N ATOM 1353 CZ ARG A 118 -11.859 -7.950 14.562 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -12.789 -7.366 13.819 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -12.031 -8.050 15.874 1.00 0.00 N ATOM 0 H ARG A 118 -8.653 -11.177 9.537 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.870 -9.334 10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.873 -9.317 10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.769 -7.811 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.352 -10.175 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.399 -8.776 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.405 -7.322 12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.334 -8.788 12.015 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.063 -8.876 14.596 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.660 -7.287 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -13.633 -6.996 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -11.318 -8.498 16.449 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -12.876 -7.679 16.307 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.400 -7.588 8.302 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.396 -6.782 7.077 1.00 0.00 C ATOM 1371 C PRO A 119 -9.028 -6.174 6.788 1.00 0.00 C ATOM 1372 O PRO A 119 -8.085 -6.348 7.560 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.419 -5.682 7.372 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.434 -5.568 8.858 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.175 -6.954 9.382 1.00 0.00 C ATOM 0 HA PRO A 119 -10.634 -7.378 6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.133 -4.739 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.404 -5.943 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.671 -4.871 9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.394 -5.190 9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.616 -6.932 10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.104 -7.490 9.578 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.927 -5.460 5.671 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.674 -4.825 5.282 1.00 0.00 C ATOM 1385 C ILE A 120 -7.540 -3.443 5.911 1.00 0.00 C ATOM 1386 O ILE A 120 -8.473 -2.641 5.876 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.562 -4.694 3.752 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.328 -3.869 3.378 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.821 -4.060 3.180 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.186 -3.634 1.891 1.00 0.00 C ATOM 0 H ILE A 120 -9.697 -5.307 5.020 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.869 -5.465 5.644 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.454 -5.691 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.377 -2.906 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.436 -4.378 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.726 -3.974 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.683 -4.682 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -8.957 -3.068 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.290 -3.043 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.105 -4.592 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.060 -3.097 1.522 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.372 -3.170 6.484 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.115 -1.883 7.120 1.00 0.00 C ATOM 1404 C GLN A 121 -5.199 -1.023 6.257 1.00 0.00 C ATOM 1405 O GLN A 121 -4.067 -1.407 5.961 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.490 -2.089 8.501 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.465 -2.627 9.536 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.885 -2.632 10.937 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -6.141 -1.726 11.730 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.099 -3.656 11.249 1.00 0.00 N ATOM 0 H GLN A 121 -5.589 -3.823 6.521 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.067 -1.365 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.651 -2.779 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.086 -1.140 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.372 -2.022 9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.755 -3.642 9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.914 -4.385 10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.681 -3.713 12.177 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.695 0.143 5.855 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.920 1.059 5.026 1.00 0.00 C ATOM 1421 C VAL A 122 -4.963 2.476 5.586 1.00 0.00 C ATOM 1422 O VAL A 122 -6.014 3.116 5.608 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.437 1.076 3.576 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.520 1.909 2.692 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.564 -0.342 3.039 1.00 0.00 C ATOM 0 H VAL A 122 -6.630 0.476 6.090 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.891 0.700 5.033 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.426 1.534 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.901 1.910 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.484 2.932 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.517 1.483 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.931 -0.311 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.589 -0.828 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.264 -0.904 3.658 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.812 2.962 6.039 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.715 4.305 6.598 1.00 0.00 C ATOM 1437 C LYS A 123 -2.643 5.118 5.878 1.00 0.00 C ATOM 1438 O LYS A 123 -1.699 4.575 5.305 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.398 4.236 8.094 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.222 3.334 8.425 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.368 2.711 9.803 1.00 0.00 C ATOM 1442 CE LYS A 123 -3.115 1.387 9.741 1.00 0.00 C ATOM 1443 NZ LYS A 123 -3.497 0.902 11.095 1.00 0.00 N ATOM 0 H LYS A 123 -2.933 2.445 6.030 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.676 4.799 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.188 5.241 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.279 3.880 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.144 2.547 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.297 3.909 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.381 2.553 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.900 3.399 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.011 1.504 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.490 0.640 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -4.004 -0.002 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.641 0.766 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.114 1.603 11.553 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.791 6.451 5.908 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.844 7.367 5.265 1.00 0.00 C ATOM 1459 C PRO A 124 -0.496 7.402 5.978 1.00 0.00 C ATOM 1460 O PRO A 124 -0.262 8.245 6.843 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.539 8.727 5.370 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.442 8.601 6.548 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.893 7.167 6.573 1.00 0.00 C ATOM 0 HA PRO A 124 -1.617 7.066 4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.816 9.531 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.100 8.956 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.921 8.862 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.293 9.276 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.046 6.812 7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.836 7.033 6.044 1.00 0.00 H new ATOM 1471 N ALA A 125 0.387 6.481 5.607 1.00 0.00 N ATOM 1472 CA ALA A 125 1.713 6.408 6.210 1.00 0.00 C ATOM 1473 C ALA A 125 2.232 7.797 6.564 1.00 0.00 C ATOM 1474 O ALA A 125 2.610 8.056 7.706 1.00 0.00 O ATOM 1475 CB ALA A 125 2.681 5.705 5.270 1.00 0.00 C ATOM 0 H ALA A 125 0.209 5.775 4.892 1.00 0.00 H new ATOM 0 HA ALA A 125 1.635 5.832 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.667 5.657 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.325 4.695 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.746 6.259 4.333 1.00 0.00 H new