USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 851 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 51 LYS NZ :NH3+ -171:sc= -0.136 (180deg=0) USER MOD Set 1.2: A 53 GLN : amide:sc= -0.533 K(o=-0.67,f=-2.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -102:sc= 0.245 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-6.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 35:sc= 1.03 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.59) USER MOD Single : A 62 ASN : amide:sc= -3.26 K(o=-3.3,f=-9.8!) USER MOD Single : A 68 SER OG : rot 180:sc= -4.41! USER MOD Single : A 69 TYR OH : rot -150:sc= -3.97! USER MOD Single : A 79 ASN : amide:sc= -8.44! C(o=-8.4!,f=-9.3!) USER MOD Single : A 86 THR OG1 : rot -109:sc= -1.43! USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot -73:sc= 0.395 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -39:sc= 0.504 USER MOD Single : A 99 ASN : amide:sc= -4.65! C(o=-4.7!,f=-2.6!) USER MOD Single : A 104 THR OG1 : rot 20:sc= 0.757 USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0.551 (180deg=0.152) USER MOD Single : A 110 SER OG : rot -110:sc= -3.3! USER MOD Single : A 118 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 5.093 10.679 3.291 1.00 0.00 N ATOM 133 CA LEU A 9 5.922 9.490 2.936 1.00 0.00 C ATOM 134 C LEU A 9 5.437 8.871 1.614 1.00 0.00 C ATOM 135 O LEU A 9 5.142 9.574 0.673 1.00 0.00 O ATOM 136 CB LEU A 9 5.731 8.524 4.108 1.00 0.00 C ATOM 137 CG LEU A 9 6.392 9.104 5.357 1.00 0.00 C ATOM 138 CD1 LEU A 9 5.775 8.463 6.603 1.00 0.00 C ATOM 139 CD2 LEU A 9 7.892 8.805 5.321 1.00 0.00 C ATOM 0 HA LEU A 9 6.972 9.740 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.669 8.360 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.168 7.554 3.869 1.00 0.00 H new ATOM 0 HG LEU A 9 6.235 10.182 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.246 8.876 7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.705 8.671 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.934 7.385 6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.367 9.218 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.047 7.726 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.332 9.258 4.432 1.00 0.00 H new ATOM 151 N ARG A 10 5.355 7.567 1.523 1.00 0.00 N ATOM 152 CA ARG A 10 4.894 6.945 0.248 1.00 0.00 C ATOM 153 C ARG A 10 4.335 5.551 0.499 1.00 0.00 C ATOM 154 O ARG A 10 4.327 5.053 1.598 1.00 0.00 O ATOM 155 CB ARG A 10 6.126 6.844 -0.640 1.00 0.00 C ATOM 156 CG ARG A 10 5.889 7.308 -2.116 1.00 0.00 C ATOM 157 CD ARG A 10 4.421 7.652 -2.460 1.00 0.00 C ATOM 158 NE ARG A 10 3.897 6.479 -3.207 1.00 0.00 N ATOM 159 CZ ARG A 10 2.721 6.549 -3.771 1.00 0.00 C ATOM 160 NH1 ARG A 10 1.782 7.278 -3.232 1.00 0.00 N ATOM 161 NH2 ARG A 10 2.487 5.898 -4.876 1.00 0.00 N ATOM 0 H ARG A 10 5.586 6.913 2.271 1.00 0.00 H new ATOM 0 HA ARG A 10 4.104 7.539 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.924 7.445 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.472 5.811 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.508 8.184 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.230 6.521 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.839 7.832 -1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.362 8.558 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 10 4.451 5.626 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.967 7.793 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.863 7.333 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.223 5.333 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.568 5.953 -5.316 1.00 0.00 H new ATOM 175 N VAL A 11 3.859 4.931 -0.529 1.00 0.00 N ATOM 176 CA VAL A 11 3.271 3.570 -0.391 1.00 0.00 C ATOM 177 C VAL A 11 4.282 2.464 -0.712 1.00 0.00 C ATOM 178 O VAL A 11 4.941 2.471 -1.740 1.00 0.00 O ATOM 179 CB VAL A 11 2.157 3.563 -1.425 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.296 4.809 -1.230 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.787 3.589 -2.819 1.00 0.00 C ATOM 0 H VAL A 11 3.849 5.309 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 11 2.937 3.375 0.628 1.00 0.00 H new ATOM 0 HB VAL A 11 1.539 2.672 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.493 4.815 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.869 4.803 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.911 5.700 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.001 3.584 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.390 4.490 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.420 2.711 -2.949 1.00 0.00 H new ATOM 191 N LEU A 12 4.377 1.487 0.143 1.00 0.00 N ATOM 192 CA LEU A 12 5.295 0.356 -0.129 1.00 0.00 C ATOM 193 C LEU A 12 4.453 -0.800 -0.674 1.00 0.00 C ATOM 194 O LEU A 12 3.814 -1.516 0.069 1.00 0.00 O ATOM 195 CB LEU A 12 5.909 -0.005 1.222 1.00 0.00 C ATOM 196 CG LEU A 12 7.037 0.970 1.577 1.00 0.00 C ATOM 197 CD1 LEU A 12 8.296 0.600 0.793 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.621 2.402 1.227 1.00 0.00 C ATOM 0 H LEU A 12 3.857 1.425 1.018 1.00 0.00 H new ATOM 0 HA LEU A 12 6.076 0.588 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.141 0.021 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.297 -1.023 1.191 1.00 0.00 H new ATOM 0 HG LEU A 12 7.239 0.908 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.098 1.293 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.599 -0.415 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.089 0.658 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.428 3.088 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.412 2.469 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.726 2.669 1.790 1.00 0.00 H new ATOM 210 N VAL A 13 4.421 -0.975 -1.962 1.00 0.00 N ATOM 211 CA VAL A 13 3.584 -2.067 -2.536 1.00 0.00 C ATOM 212 C VAL A 13 4.466 -3.186 -3.055 1.00 0.00 C ATOM 213 O VAL A 13 5.578 -2.962 -3.489 1.00 0.00 O ATOM 214 CB VAL A 13 2.821 -1.427 -3.691 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.075 -0.188 -3.196 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.809 -1.030 -4.783 1.00 0.00 C ATOM 0 H VAL A 13 4.934 -0.414 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 13 2.915 -2.498 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 13 2.099 -2.139 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.532 0.265 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.371 -0.475 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.789 0.531 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.270 -0.572 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.529 -0.318 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.335 -1.916 -5.138 1.00 0.00 H new ATOM 226 N VAL A 14 3.993 -4.396 -3.008 1.00 0.00 N ATOM 227 CA VAL A 14 4.829 -5.514 -3.492 1.00 0.00 C ATOM 228 C VAL A 14 3.961 -6.654 -4.057 1.00 0.00 C ATOM 229 O VAL A 14 3.036 -7.138 -3.423 1.00 0.00 O ATOM 230 CB VAL A 14 5.626 -5.963 -2.259 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.080 -4.748 -1.442 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.757 -6.861 -1.390 1.00 0.00 C ATOM 0 H VAL A 14 3.071 -4.654 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 14 5.484 -5.218 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 14 6.507 -6.512 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.643 -5.085 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.713 -4.110 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.207 -4.184 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.324 -7.179 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.872 -6.311 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.452 -7.737 -1.963 1.00 0.00 H new ATOM 242 N GLU A 15 4.275 -7.078 -5.253 1.00 0.00 N ATOM 243 CA GLU A 15 3.525 -8.191 -5.907 1.00 0.00 C ATOM 244 C GLU A 15 4.477 -8.933 -6.857 1.00 0.00 C ATOM 245 O GLU A 15 5.342 -8.349 -7.462 1.00 0.00 O ATOM 246 CB GLU A 15 2.378 -7.528 -6.669 1.00 0.00 C ATOM 247 CG GLU A 15 2.943 -6.563 -7.709 1.00 0.00 C ATOM 248 CD GLU A 15 2.019 -6.539 -8.922 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.083 -7.319 -8.943 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.269 -5.752 -9.819 1.00 0.00 O ATOM 0 H GLU A 15 5.034 -6.692 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 15 3.136 -8.920 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.766 -8.287 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.729 -6.992 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.032 -5.563 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.945 -6.874 -8.006 1.00 0.00 H new ATOM 257 N ASP A 16 4.348 -10.219 -6.953 1.00 0.00 N ATOM 258 CA ASP A 16 5.272 -11.030 -7.813 1.00 0.00 C ATOM 259 C ASP A 16 5.760 -10.313 -9.088 1.00 0.00 C ATOM 260 O ASP A 16 6.800 -10.655 -9.613 1.00 0.00 O ATOM 261 CB ASP A 16 4.464 -12.261 -8.199 1.00 0.00 C ATOM 262 CG ASP A 16 3.179 -11.828 -8.906 1.00 0.00 C ATOM 263 OD1 ASP A 16 2.310 -11.292 -8.238 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.086 -12.038 -10.104 1.00 0.00 O ATOM 0 H ASP A 16 3.633 -10.761 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 16 6.184 -11.246 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.052 -12.904 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.224 -12.844 -7.310 1.00 0.00 H new ATOM 269 N GLU A 17 5.042 -9.365 -9.629 1.00 0.00 N ATOM 270 CA GLU A 17 5.541 -8.730 -10.894 1.00 0.00 C ATOM 271 C GLU A 17 6.160 -7.345 -10.655 1.00 0.00 C ATOM 272 O GLU A 17 6.065 -6.777 -9.586 1.00 0.00 O ATOM 273 CB GLU A 17 4.319 -8.621 -11.804 1.00 0.00 C ATOM 274 CG GLU A 17 3.426 -7.479 -11.331 1.00 0.00 C ATOM 275 CD GLU A 17 1.977 -7.964 -11.277 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.778 -9.153 -11.090 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.092 -7.137 -11.417 1.00 0.00 O ATOM 0 H GLU A 17 4.158 -9.008 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 17 6.337 -9.331 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.634 -8.447 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.762 -9.558 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.744 -7.136 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.513 -6.629 -12.008 1.00 0.00 H new ATOM 284 N SER A 18 6.805 -6.810 -11.667 1.00 0.00 N ATOM 285 CA SER A 18 7.455 -5.469 -11.544 1.00 0.00 C ATOM 286 C SER A 18 6.528 -4.364 -12.057 1.00 0.00 C ATOM 287 O SER A 18 6.764 -3.195 -11.823 1.00 0.00 O ATOM 288 CB SER A 18 8.707 -5.555 -12.421 1.00 0.00 C ATOM 289 OG SER A 18 9.725 -6.263 -11.725 1.00 0.00 O ATOM 0 H SER A 18 6.908 -7.252 -12.581 1.00 0.00 H new ATOM 0 HA SER A 18 7.688 -5.227 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.474 -6.060 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.055 -4.554 -12.676 1.00 0.00 H new ATOM 0 HG SER A 18 10.526 -6.320 -12.286 1.00 0.00 H new ATOM 295 N MET A 19 5.470 -4.709 -12.741 1.00 0.00 N ATOM 296 CA MET A 19 4.551 -3.645 -13.236 1.00 0.00 C ATOM 297 C MET A 19 4.188 -2.744 -12.079 1.00 0.00 C ATOM 298 O MET A 19 3.798 -1.606 -12.251 1.00 0.00 O ATOM 299 CB MET A 19 3.302 -4.364 -13.728 1.00 0.00 C ATOM 300 CG MET A 19 3.694 -5.387 -14.774 1.00 0.00 C ATOM 301 SD MET A 19 3.093 -4.849 -16.396 1.00 0.00 S ATOM 302 CE MET A 19 2.898 -6.492 -17.128 1.00 0.00 C ATOM 0 H MET A 19 5.205 -5.666 -12.975 1.00 0.00 H new ATOM 0 HA MET A 19 5.003 -3.044 -14.025 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.798 -4.854 -12.895 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.598 -3.647 -14.150 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.777 -5.504 -14.796 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.273 -6.360 -14.522 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.529 -6.394 -18.149 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.861 -7.003 -17.137 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.186 -7.070 -16.539 1.00 0.00 H new ATOM 312 N ILE A 20 4.300 -3.256 -10.892 1.00 0.00 N ATOM 313 CA ILE A 20 3.948 -2.442 -9.718 1.00 0.00 C ATOM 314 C ILE A 20 5.130 -1.575 -9.297 1.00 0.00 C ATOM 315 O ILE A 20 5.041 -0.790 -8.374 1.00 0.00 O ATOM 316 CB ILE A 20 3.619 -3.445 -8.623 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.433 -2.691 -7.309 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.759 -4.461 -8.477 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.495 -3.473 -6.388 1.00 0.00 C ATOM 0 H ILE A 20 4.620 -4.203 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 20 3.115 -1.770 -9.925 1.00 0.00 H new ATOM 0 HB ILE A 20 2.705 -3.981 -8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.398 -2.547 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.023 -1.700 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.512 -5.174 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.895 -4.993 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.680 -3.939 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.367 -2.929 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.526 -3.594 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.922 -4.454 -6.182 1.00 0.00 H new ATOM 331 N ALA A 21 6.241 -1.728 -9.952 1.00 0.00 N ATOM 332 CA ALA A 21 7.439 -0.935 -9.578 1.00 0.00 C ATOM 333 C ALA A 21 7.451 0.413 -10.293 1.00 0.00 C ATOM 334 O ALA A 21 7.177 1.442 -9.704 1.00 0.00 O ATOM 335 CB ALA A 21 8.615 -1.802 -10.018 1.00 0.00 C ATOM 0 H ALA A 21 6.372 -2.370 -10.733 1.00 0.00 H new ATOM 0 HA ALA A 21 7.469 -0.704 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.550 -1.294 -9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.578 -2.758 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.558 -1.974 -11.093 1.00 0.00 H new ATOM 341 N MET A 22 7.766 0.434 -11.553 1.00 0.00 N ATOM 342 CA MET A 22 7.785 1.742 -12.258 1.00 0.00 C ATOM 343 C MET A 22 6.440 2.432 -12.056 1.00 0.00 C ATOM 344 O MET A 22 6.325 3.638 -12.150 1.00 0.00 O ATOM 345 CB MET A 22 8.041 1.419 -13.731 1.00 0.00 C ATOM 346 CG MET A 22 9.126 2.352 -14.278 1.00 0.00 C ATOM 347 SD MET A 22 10.753 1.590 -14.054 1.00 0.00 S ATOM 348 CE MET A 22 11.618 3.058 -13.441 1.00 0.00 C ATOM 0 H MET A 22 8.007 -0.380 -12.118 1.00 0.00 H new ATOM 0 HA MET A 22 8.554 2.417 -11.882 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.352 0.380 -13.838 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.122 1.537 -14.305 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.949 2.551 -15.335 1.00 0.00 H new ATOM 0 HG3 MET A 22 9.089 3.311 -13.762 1.00 0.00 H new ATOM 0 HE1 MET A 22 12.659 2.808 -13.235 1.00 0.00 H new ATOM 0 HE2 MET A 22 11.576 3.846 -14.193 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.140 3.406 -12.525 1.00 0.00 H new ATOM 358 N LEU A 23 5.429 1.675 -11.741 1.00 0.00 N ATOM 359 CA LEU A 23 4.097 2.283 -11.487 1.00 0.00 C ATOM 360 C LEU A 23 4.153 3.047 -10.160 1.00 0.00 C ATOM 361 O LEU A 23 3.226 3.738 -9.787 1.00 0.00 O ATOM 362 CB LEU A 23 3.133 1.087 -11.404 1.00 0.00 C ATOM 363 CG LEU A 23 1.801 1.485 -10.743 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.979 1.585 -9.226 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.308 2.831 -11.291 1.00 0.00 C ATOM 0 H LEU A 23 5.468 0.660 -11.648 1.00 0.00 H new ATOM 0 HA LEU A 23 3.783 2.989 -12.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.943 0.701 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.597 0.282 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 23 1.061 0.718 -10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.032 1.867 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.300 0.620 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.732 2.339 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.365 3.096 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.050 3.602 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.158 2.753 -12.368 1.00 0.00 H new ATOM 377 N ILE A 24 5.242 2.920 -9.439 1.00 0.00 N ATOM 378 CA ILE A 24 5.361 3.625 -8.131 1.00 0.00 C ATOM 379 C ILE A 24 6.173 4.917 -8.265 1.00 0.00 C ATOM 380 O ILE A 24 5.795 5.955 -7.759 1.00 0.00 O ATOM 381 CB ILE A 24 6.076 2.625 -7.201 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.574 2.833 -5.769 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.599 2.834 -7.224 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.680 1.522 -4.983 1.00 0.00 C ATOM 0 H ILE A 24 6.051 2.358 -9.703 1.00 0.00 H new ATOM 0 HA ILE A 24 4.386 3.922 -7.745 1.00 0.00 H new ATOM 0 HB ILE A 24 5.858 1.615 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.160 3.610 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.539 3.176 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.075 2.114 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.971 2.691 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.833 3.845 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.321 1.678 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.074 0.757 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.720 1.198 -4.955 1.00 0.00 H new ATOM 396 N GLU A 25 7.302 4.852 -8.914 1.00 0.00 N ATOM 397 CA GLU A 25 8.153 6.070 -9.044 1.00 0.00 C ATOM 398 C GLU A 25 7.477 7.123 -9.930 1.00 0.00 C ATOM 399 O GLU A 25 7.828 8.286 -9.899 1.00 0.00 O ATOM 400 CB GLU A 25 9.455 5.576 -9.672 1.00 0.00 C ATOM 401 CG GLU A 25 10.289 4.852 -8.608 1.00 0.00 C ATOM 402 CD GLU A 25 11.724 5.382 -8.638 1.00 0.00 C ATOM 403 OE1 GLU A 25 11.890 6.589 -8.590 1.00 0.00 O ATOM 404 OE2 GLU A 25 12.633 4.570 -8.709 1.00 0.00 O ATOM 0 H GLU A 25 7.672 4.012 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 25 8.323 6.553 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.239 4.903 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.016 6.416 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.853 5.007 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.283 3.778 -8.794 1.00 0.00 H new ATOM 411 N ASP A 26 6.506 6.736 -10.712 1.00 0.00 N ATOM 412 CA ASP A 26 5.820 7.735 -11.581 1.00 0.00 C ATOM 413 C ASP A 26 4.780 8.505 -10.763 1.00 0.00 C ATOM 414 O ASP A 26 4.685 9.715 -10.839 1.00 0.00 O ATOM 415 CB ASP A 26 5.152 6.916 -12.693 1.00 0.00 C ATOM 416 CG ASP A 26 3.828 6.329 -12.191 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.851 7.060 -12.165 1.00 0.00 O ATOM 418 OD2 ASP A 26 3.815 5.160 -11.843 1.00 0.00 O ATOM 0 H ASP A 26 6.160 5.779 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 26 6.509 8.472 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.972 7.548 -13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.816 6.114 -13.014 1.00 0.00 H new ATOM 423 N THR A 27 4.005 7.811 -9.975 1.00 0.00 N ATOM 424 CA THR A 27 2.978 8.498 -9.145 1.00 0.00 C ATOM 425 C THR A 27 3.664 9.463 -8.177 1.00 0.00 C ATOM 426 O THR A 27 3.271 10.605 -8.040 1.00 0.00 O ATOM 427 CB THR A 27 2.257 7.384 -8.383 1.00 0.00 C ATOM 428 OG1 THR A 27 2.864 6.132 -8.677 1.00 0.00 O ATOM 429 CG2 THR A 27 0.788 7.354 -8.806 1.00 0.00 C ATOM 0 H THR A 27 4.040 6.797 -9.871 1.00 0.00 H new ATOM 0 HA THR A 27 2.280 9.082 -9.745 1.00 0.00 H new ATOM 0 HB THR A 27 2.326 7.572 -7.311 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.315 5.647 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.270 6.562 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.324 8.313 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.722 7.166 -9.878 1.00 0.00 H new ATOM 437 N LEU A 28 4.697 9.017 -7.516 1.00 0.00 N ATOM 438 CA LEU A 28 5.418 9.915 -6.574 1.00 0.00 C ATOM 439 C LEU A 28 6.008 11.089 -7.366 1.00 0.00 C ATOM 440 O LEU A 28 6.163 12.181 -6.858 1.00 0.00 O ATOM 441 CB LEU A 28 6.490 9.007 -5.922 1.00 0.00 C ATOM 442 CG LEU A 28 7.897 9.636 -5.945 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.411 9.720 -7.384 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.863 11.036 -5.324 1.00 0.00 C ATOM 0 H LEU A 28 5.071 8.071 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 28 4.792 10.364 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.206 8.800 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.516 8.050 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 28 8.569 9.007 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.406 10.166 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.460 8.719 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.734 10.335 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.863 11.469 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.181 11.669 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.521 10.968 -4.291 1.00 0.00 H new ATOM 456 N CYS A 29 6.321 10.874 -8.615 1.00 0.00 N ATOM 457 CA CYS A 29 6.883 11.979 -9.443 1.00 0.00 C ATOM 458 C CYS A 29 5.896 13.148 -9.479 1.00 0.00 C ATOM 459 O CYS A 29 6.273 14.296 -9.606 1.00 0.00 O ATOM 460 CB CYS A 29 7.044 11.379 -10.840 1.00 0.00 C ATOM 461 SG CYS A 29 8.701 11.748 -11.470 1.00 0.00 S ATOM 0 H CYS A 29 6.212 9.982 -9.097 1.00 0.00 H new ATOM 0 HA CYS A 29 7.826 12.359 -9.050 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.889 10.301 -10.804 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.289 11.787 -11.512 1.00 0.00 H new ATOM 0 HG CYS A 29 8.838 11.236 -12.657 1.00 0.00 H new ATOM 467 N GLU A 30 4.629 12.855 -9.372 1.00 0.00 N ATOM 468 CA GLU A 30 3.604 13.928 -9.405 1.00 0.00 C ATOM 469 C GLU A 30 3.293 14.412 -7.987 1.00 0.00 C ATOM 470 O GLU A 30 2.932 15.553 -7.778 1.00 0.00 O ATOM 471 CB GLU A 30 2.372 13.270 -10.034 1.00 0.00 C ATOM 472 CG GLU A 30 1.127 14.116 -9.749 1.00 0.00 C ATOM 473 CD GLU A 30 -0.128 13.321 -10.117 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.206 12.165 -9.734 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.990 13.882 -10.773 1.00 0.00 O ATOM 0 H GLU A 30 4.261 11.910 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 30 3.935 14.801 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.514 13.166 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.240 12.266 -9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.097 14.395 -8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.165 15.042 -10.323 1.00 0.00 H new ATOM 482 N LEU A 31 3.418 13.552 -7.013 1.00 0.00 N ATOM 483 CA LEU A 31 3.114 13.969 -5.616 1.00 0.00 C ATOM 484 C LEU A 31 4.391 14.394 -4.887 1.00 0.00 C ATOM 485 O LEU A 31 4.393 15.338 -4.122 1.00 0.00 O ATOM 486 CB LEU A 31 2.518 12.726 -4.954 1.00 0.00 C ATOM 487 CG LEU A 31 1.340 12.216 -5.786 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.818 10.912 -5.180 1.00 0.00 C ATOM 489 CD2 LEU A 31 0.223 13.263 -5.785 1.00 0.00 C ATOM 0 H LEU A 31 3.716 12.583 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 31 2.436 14.822 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.277 11.949 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.186 12.964 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 31 1.667 12.037 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.022 10.547 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.613 10.167 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.490 11.092 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.617 12.900 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.106 13.443 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.595 14.193 -6.215 1.00 0.00 H new ATOM 501 N GLY A 32 5.474 13.702 -5.109 1.00 0.00 N ATOM 502 CA GLY A 32 6.740 14.065 -4.412 1.00 0.00 C ATOM 503 C GLY A 32 6.745 13.403 -3.034 1.00 0.00 C ATOM 504 O GLY A 32 7.295 13.921 -2.083 1.00 0.00 O ATOM 0 H GLY A 32 5.537 12.904 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.600 13.734 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.820 15.147 -4.312 1.00 0.00 H new ATOM 508 N HIS A 33 6.123 12.260 -2.927 1.00 0.00 N ATOM 509 CA HIS A 33 6.067 11.539 -1.622 1.00 0.00 C ATOM 510 C HIS A 33 7.495 11.248 -1.109 1.00 0.00 C ATOM 511 O HIS A 33 8.301 12.150 -1.012 1.00 0.00 O ATOM 512 CB HIS A 33 5.278 10.272 -1.950 1.00 0.00 C ATOM 513 CG HIS A 33 3.810 10.541 -1.744 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.840 10.132 -2.649 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.133 11.177 -0.733 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.646 10.525 -2.167 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.768 11.166 -1.002 1.00 0.00 N ATOM 0 H HIS A 33 5.646 11.790 -3.696 1.00 0.00 H new ATOM 0 HA HIS A 33 5.595 12.105 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.464 9.969 -2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.603 9.450 -1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.591 11.619 0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.704 10.344 -2.663 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.021 11.562 -0.432 1.00 0.00 H new ATOM 525 N GLU A 34 7.839 10.028 -0.755 1.00 0.00 N ATOM 526 CA GLU A 34 9.229 9.807 -0.246 1.00 0.00 C ATOM 527 C GLU A 34 9.865 8.538 -0.823 1.00 0.00 C ATOM 528 O GLU A 34 10.782 8.605 -1.616 1.00 0.00 O ATOM 529 CB GLU A 34 9.079 9.689 1.270 1.00 0.00 C ATOM 530 CG GLU A 34 10.339 10.231 1.950 1.00 0.00 C ATOM 531 CD GLU A 34 10.551 11.692 1.544 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.572 12.344 1.218 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.688 12.133 1.566 1.00 0.00 O ATOM 0 H GLU A 34 7.239 9.204 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 34 9.888 10.623 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.204 10.246 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.920 8.648 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.242 10.154 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.205 9.634 1.664 1.00 0.00 H new ATOM 540 N VAL A 35 9.410 7.382 -0.422 1.00 0.00 N ATOM 541 CA VAL A 35 10.026 6.127 -0.945 1.00 0.00 C ATOM 542 C VAL A 35 8.989 5.310 -1.704 1.00 0.00 C ATOM 543 O VAL A 35 7.952 5.801 -2.068 1.00 0.00 O ATOM 544 CB VAL A 35 10.489 5.366 0.298 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.578 6.166 1.015 1.00 0.00 C ATOM 546 CG2 VAL A 35 9.301 5.166 1.241 1.00 0.00 C ATOM 0 H VAL A 35 8.645 7.251 0.240 1.00 0.00 H new ATOM 0 HA VAL A 35 10.846 6.328 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 35 10.889 4.397 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.906 5.621 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.424 6.311 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.180 7.136 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.628 4.624 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.903 6.137 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.525 4.595 0.732 1.00 0.00 H new ATOM 556 N ALA A 36 9.261 4.066 -1.948 1.00 0.00 N ATOM 557 CA ALA A 36 8.281 3.225 -2.675 1.00 0.00 C ATOM 558 C ALA A 36 8.800 1.793 -2.763 1.00 0.00 C ATOM 559 O ALA A 36 9.985 1.564 -2.907 1.00 0.00 O ATOM 560 CB ALA A 36 8.170 3.854 -4.065 1.00 0.00 C ATOM 0 H ALA A 36 10.122 3.593 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 36 7.312 3.183 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.460 3.286 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.824 4.884 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.147 3.842 -4.549 1.00 0.00 H new ATOM 566 N ALA A 37 7.930 0.824 -2.689 1.00 0.00 N ATOM 567 CA ALA A 37 8.406 -0.589 -2.782 1.00 0.00 C ATOM 568 C ALA A 37 7.752 -1.260 -3.984 1.00 0.00 C ATOM 569 O ALA A 37 6.652 -0.919 -4.375 1.00 0.00 O ATOM 570 CB ALA A 37 7.980 -1.274 -1.483 1.00 0.00 C ATOM 0 H ALA A 37 6.924 0.944 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 37 9.487 -0.650 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.304 -2.315 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.437 -0.763 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.895 -1.233 -1.389 1.00 0.00 H new ATOM 576 N THR A 38 8.436 -2.186 -4.595 1.00 0.00 N ATOM 577 CA THR A 38 7.867 -2.846 -5.803 1.00 0.00 C ATOM 578 C THR A 38 8.049 -4.361 -5.764 1.00 0.00 C ATOM 579 O THR A 38 8.817 -4.892 -4.988 1.00 0.00 O ATOM 580 CB THR A 38 8.652 -2.265 -6.977 1.00 0.00 C ATOM 581 OG1 THR A 38 9.885 -2.961 -7.107 1.00 0.00 O ATOM 582 CG2 THR A 38 8.930 -0.774 -6.746 1.00 0.00 C ATOM 0 H THR A 38 9.360 -2.513 -4.312 1.00 0.00 H new ATOM 0 HA THR A 38 6.794 -2.667 -5.875 1.00 0.00 H new ATOM 0 HB THR A 38 8.064 -2.377 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.391 -2.592 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.490 -0.373 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.986 -0.238 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.512 -0.650 -5.833 1.00 0.00 H new ATOM 590 N ALA A 39 7.324 -5.047 -6.610 1.00 0.00 N ATOM 591 CA ALA A 39 7.392 -6.533 -6.659 1.00 0.00 C ATOM 592 C ALA A 39 7.140 -7.083 -5.267 1.00 0.00 C ATOM 593 O ALA A 39 7.269 -6.382 -4.302 1.00 0.00 O ATOM 594 CB ALA A 39 8.792 -6.897 -7.129 1.00 0.00 C ATOM 0 H ALA A 39 6.677 -4.630 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 39 6.645 -6.951 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.888 -7.982 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.967 -6.470 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.526 -6.500 -6.427 1.00 0.00 H new ATOM 600 N SER A 40 6.755 -8.315 -5.150 1.00 0.00 N ATOM 601 CA SER A 40 6.488 -8.860 -3.789 1.00 0.00 C ATOM 602 C SER A 40 7.799 -9.302 -3.136 1.00 0.00 C ATOM 603 O SER A 40 8.343 -10.343 -3.450 1.00 0.00 O ATOM 604 CB SER A 40 5.552 -10.043 -3.998 1.00 0.00 C ATOM 605 OG SER A 40 6.204 -11.035 -4.783 1.00 0.00 O ATOM 0 H SER A 40 6.613 -8.965 -5.923 1.00 0.00 H new ATOM 0 HA SER A 40 6.041 -8.118 -3.128 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.258 -10.462 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.639 -9.714 -4.494 1.00 0.00 H new ATOM 0 HG SER A 40 7.158 -11.053 -4.561 1.00 0.00 H new ATOM 611 N ARG A 41 8.316 -8.507 -2.235 1.00 0.00 N ATOM 612 CA ARG A 41 9.593 -8.862 -1.567 1.00 0.00 C ATOM 613 C ARG A 41 9.383 -9.037 -0.061 1.00 0.00 C ATOM 614 O ARG A 41 8.779 -8.210 0.593 1.00 0.00 O ATOM 615 CB ARG A 41 10.521 -7.677 -1.836 1.00 0.00 C ATOM 616 CG ARG A 41 11.970 -8.165 -1.908 1.00 0.00 C ATOM 617 CD ARG A 41 12.117 -9.163 -3.059 1.00 0.00 C ATOM 618 NE ARG A 41 13.566 -9.138 -3.407 1.00 0.00 N ATOM 619 CZ ARG A 41 13.942 -9.244 -4.653 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.412 -8.472 -5.563 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.848 -10.121 -4.990 1.00 0.00 N ATOM 0 H ARG A 41 7.903 -7.624 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 41 10.001 -9.801 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.244 -7.190 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.416 -6.933 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.642 -7.320 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.254 -8.635 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.800 -10.162 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.501 -8.876 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 41 14.265 -9.038 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.704 -7.786 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.706 -8.555 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.263 -10.724 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.141 -10.203 -5.964 1.00 0.00 H new ATOM 635 N MET A 42 9.886 -10.104 0.493 1.00 0.00 N ATOM 636 CA MET A 42 9.728 -10.331 1.954 1.00 0.00 C ATOM 637 C MET A 42 10.596 -9.337 2.728 1.00 0.00 C ATOM 638 O MET A 42 10.216 -8.846 3.773 1.00 0.00 O ATOM 639 CB MET A 42 10.207 -11.765 2.185 1.00 0.00 C ATOM 640 CG MET A 42 9.164 -12.745 1.647 1.00 0.00 C ATOM 641 SD MET A 42 9.316 -14.325 2.514 1.00 0.00 S ATOM 642 CE MET A 42 8.209 -15.271 1.444 1.00 0.00 C ATOM 0 H MET A 42 10.401 -10.830 -0.005 1.00 0.00 H new ATOM 0 HA MET A 42 8.702 -10.190 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.163 -11.925 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.370 -11.938 3.249 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.162 -12.338 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.305 -12.891 0.576 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.150 -16.300 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.215 -14.824 1.462 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.593 -15.261 0.424 1.00 0.00 H new ATOM 652 N GLN A 43 11.756 -9.029 2.215 1.00 0.00 N ATOM 653 CA GLN A 43 12.646 -8.060 2.912 1.00 0.00 C ATOM 654 C GLN A 43 11.961 -6.696 2.988 1.00 0.00 C ATOM 655 O GLN A 43 11.903 -6.077 4.031 1.00 0.00 O ATOM 656 CB GLN A 43 13.904 -7.987 2.047 1.00 0.00 C ATOM 657 CG GLN A 43 14.526 -9.380 1.933 1.00 0.00 C ATOM 658 CD GLN A 43 14.610 -10.013 3.323 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.057 -9.385 4.262 1.00 0.00 O ATOM 660 NE2 GLN A 43 14.192 -11.236 3.496 1.00 0.00 N ATOM 0 H GLN A 43 12.125 -9.407 1.343 1.00 0.00 H new ATOM 0 HA GLN A 43 12.877 -8.361 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.656 -7.606 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.620 -7.292 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.926 -10.005 1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.520 -9.312 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.817 -11.763 2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.240 -11.666 4.420 1.00 0.00 H new ATOM 669 N GLU A 44 11.437 -6.227 1.890 1.00 0.00 N ATOM 670 CA GLU A 44 10.750 -4.910 1.898 1.00 0.00 C ATOM 671 C GLU A 44 9.369 -5.045 2.543 1.00 0.00 C ATOM 672 O GLU A 44 8.992 -4.263 3.393 1.00 0.00 O ATOM 673 CB GLU A 44 10.621 -4.516 0.426 1.00 0.00 C ATOM 674 CG GLU A 44 12.011 -4.444 -0.210 1.00 0.00 C ATOM 675 CD GLU A 44 12.245 -3.040 -0.771 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.511 -2.651 -1.665 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.154 -2.377 -0.299 1.00 0.00 O ATOM 0 H GLU A 44 11.456 -6.701 0.987 1.00 0.00 H new ATOM 0 HA GLU A 44 11.298 -4.161 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.005 -5.243 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.120 -3.552 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.774 -4.683 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.097 -5.184 -1.006 1.00 0.00 H new ATOM 684 N ALA A 45 8.615 -6.036 2.148 1.00 0.00 N ATOM 685 CA ALA A 45 7.260 -6.228 2.742 1.00 0.00 C ATOM 686 C ALA A 45 7.326 -6.022 4.257 1.00 0.00 C ATOM 687 O ALA A 45 6.817 -5.056 4.786 1.00 0.00 O ATOM 688 CB ALA A 45 6.890 -7.674 2.416 1.00 0.00 C ATOM 0 H ALA A 45 8.879 -6.721 1.440 1.00 0.00 H new ATOM 0 HA ALA A 45 6.527 -5.522 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.902 -7.897 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.879 -7.812 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.624 -8.346 2.860 1.00 0.00 H new ATOM 694 N LEU A 46 7.970 -6.920 4.947 1.00 0.00 N ATOM 695 CA LEU A 46 8.105 -6.795 6.423 1.00 0.00 C ATOM 696 C LEU A 46 8.386 -5.347 6.780 1.00 0.00 C ATOM 697 O LEU A 46 7.906 -4.823 7.765 1.00 0.00 O ATOM 698 CB LEU A 46 9.313 -7.662 6.765 1.00 0.00 C ATOM 699 CG LEU A 46 9.798 -7.330 8.174 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.324 -8.598 8.849 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.920 -6.293 8.087 1.00 0.00 C ATOM 0 H LEU A 46 8.414 -7.746 4.545 1.00 0.00 H new ATOM 0 HA LEU A 46 7.208 -7.100 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.046 -8.717 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.112 -7.490 6.044 1.00 0.00 H new ATOM 0 HG LEU A 46 8.971 -6.929 8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.670 -8.358 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.525 -9.338 8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.152 -9.003 8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.271 -6.052 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.745 -6.698 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.544 -5.390 7.607 1.00 0.00 H new ATOM 713 N ASP A 47 9.169 -4.702 5.972 1.00 0.00 N ATOM 714 CA ASP A 47 9.502 -3.284 6.236 1.00 0.00 C ATOM 715 C ASP A 47 8.243 -2.422 6.136 1.00 0.00 C ATOM 716 O ASP A 47 7.892 -1.723 7.058 1.00 0.00 O ATOM 717 CB ASP A 47 10.504 -2.901 5.148 1.00 0.00 C ATOM 718 CG ASP A 47 11.733 -2.257 5.791 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.061 -2.633 6.904 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.325 -1.398 5.158 1.00 0.00 O ATOM 0 H ASP A 47 9.595 -5.099 5.135 1.00 0.00 H new ATOM 0 HA ASP A 47 9.912 -3.134 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.798 -3.785 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.044 -2.209 4.443 1.00 0.00 H new ATOM 725 N ILE A 48 7.558 -2.472 5.025 1.00 0.00 N ATOM 726 CA ILE A 48 6.318 -1.636 4.882 1.00 0.00 C ATOM 727 C ILE A 48 5.512 -1.707 6.175 1.00 0.00 C ATOM 728 O ILE A 48 4.778 -0.806 6.505 1.00 0.00 O ATOM 729 CB ILE A 48 5.507 -2.200 3.695 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.552 -3.307 4.166 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.448 -2.754 2.632 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.082 -4.135 2.963 1.00 0.00 C ATOM 0 H ILE A 48 7.795 -3.046 4.216 1.00 0.00 H new ATOM 0 HA ILE A 48 6.564 -0.591 4.694 1.00 0.00 H new ATOM 0 HB ILE A 48 4.919 -1.388 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.055 -3.951 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.694 -2.868 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.865 -3.149 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.100 -1.958 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.053 -3.552 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.405 -4.919 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.562 -3.488 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.944 -4.588 2.474 1.00 0.00 H new ATOM 744 N ALA A 49 5.644 -2.775 6.912 1.00 0.00 N ATOM 745 CA ALA A 49 4.879 -2.885 8.183 1.00 0.00 C ATOM 746 C ALA A 49 5.687 -2.301 9.349 1.00 0.00 C ATOM 747 O ALA A 49 5.304 -1.317 9.949 1.00 0.00 O ATOM 748 CB ALA A 49 4.647 -4.382 8.388 1.00 0.00 C ATOM 0 H ALA A 49 6.244 -3.570 6.691 1.00 0.00 H new ATOM 0 HA ALA A 49 3.941 -2.332 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.087 -4.541 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.081 -4.781 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.607 -4.893 8.455 1.00 0.00 H new ATOM 754 N ARG A 50 6.795 -2.907 9.684 1.00 0.00 N ATOM 755 CA ARG A 50 7.617 -2.395 10.819 1.00 0.00 C ATOM 756 C ARG A 50 8.276 -1.060 10.458 1.00 0.00 C ATOM 757 O ARG A 50 8.708 -0.319 11.319 1.00 0.00 O ATOM 758 CB ARG A 50 8.672 -3.474 11.054 1.00 0.00 C ATOM 759 CG ARG A 50 7.978 -4.782 11.437 1.00 0.00 C ATOM 760 CD ARG A 50 8.766 -5.966 10.874 1.00 0.00 C ATOM 761 NE ARG A 50 9.432 -6.576 12.058 1.00 0.00 N ATOM 762 CZ ARG A 50 10.694 -6.338 12.288 1.00 0.00 C ATOM 763 NH1 ARG A 50 11.581 -6.576 11.361 1.00 0.00 N ATOM 764 NH2 ARG A 50 11.070 -5.861 13.445 1.00 0.00 N ATOM 0 H ARG A 50 7.167 -3.736 9.220 1.00 0.00 H new ATOM 0 HA ARG A 50 7.015 -2.207 11.708 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.271 -3.616 10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.355 -3.165 11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.906 -4.863 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.960 -4.792 11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.108 -6.680 10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.496 -5.639 10.134 1.00 0.00 H new ATOM 0 HE ARG A 50 8.903 -7.179 12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.287 -6.948 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.568 -6.390 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.377 -5.674 14.169 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.057 -5.675 13.624 1.00 0.00 H new ATOM 778 N LYS A 51 8.354 -0.748 9.195 1.00 0.00 N ATOM 779 CA LYS A 51 8.981 0.540 8.782 1.00 0.00 C ATOM 780 C LYS A 51 8.275 1.704 9.476 1.00 0.00 C ATOM 781 O LYS A 51 8.901 2.594 10.017 1.00 0.00 O ATOM 782 CB LYS A 51 8.776 0.612 7.269 1.00 0.00 C ATOM 783 CG LYS A 51 9.106 2.014 6.766 1.00 0.00 C ATOM 784 CD LYS A 51 10.613 2.250 6.883 1.00 0.00 C ATOM 785 CE LYS A 51 11.262 2.094 5.507 1.00 0.00 C ATOM 786 NZ LYS A 51 11.483 3.486 5.028 1.00 0.00 N ATOM 0 H LYS A 51 8.011 -1.329 8.430 1.00 0.00 H new ATOM 0 HA LYS A 51 10.036 0.597 9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.411 -0.121 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.745 0.361 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.788 2.125 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.563 2.759 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.806 3.248 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.050 1.540 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.201 1.545 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.616 1.540 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.783 3.467 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.599 4.027 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.222 3.938 5.603 1.00 0.00 H new ATOM 800 N GLY A 52 6.970 1.696 9.471 1.00 0.00 N ATOM 801 CA GLY A 52 6.211 2.791 10.135 1.00 0.00 C ATOM 802 C GLY A 52 6.216 4.042 9.251 1.00 0.00 C ATOM 803 O GLY A 52 5.179 4.590 8.935 1.00 0.00 O ATOM 0 H GLY A 52 6.396 0.975 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.186 2.472 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.656 3.018 11.104 1.00 0.00 H new ATOM 807 N GLN A 53 7.373 4.500 8.849 1.00 0.00 N ATOM 808 CA GLN A 53 7.433 5.719 7.986 1.00 0.00 C ATOM 809 C GLN A 53 7.210 5.340 6.516 1.00 0.00 C ATOM 810 O GLN A 53 7.939 5.748 5.634 1.00 0.00 O ATOM 811 CB GLN A 53 8.836 6.289 8.200 1.00 0.00 C ATOM 812 CG GLN A 53 9.872 5.358 7.570 1.00 0.00 C ATOM 813 CD GLN A 53 10.787 6.165 6.649 1.00 0.00 C ATOM 814 OE1 GLN A 53 10.320 6.884 5.788 1.00 0.00 O ATOM 815 NE2 GLN A 53 12.080 6.075 6.794 1.00 0.00 N ATOM 0 H GLN A 53 8.276 4.085 9.079 1.00 0.00 H new ATOM 0 HA GLN A 53 6.662 6.446 8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.907 7.282 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.035 6.402 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.459 4.870 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.373 4.570 7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.471 5.471 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.700 6.608 6.184 1.00 0.00 H new ATOM 824 N PHE A 54 6.196 4.562 6.262 1.00 0.00 N ATOM 825 CA PHE A 54 5.880 4.131 4.868 1.00 0.00 C ATOM 826 C PHE A 54 4.397 4.400 4.579 1.00 0.00 C ATOM 827 O PHE A 54 3.901 4.061 3.537 1.00 0.00 O ATOM 828 CB PHE A 54 6.151 2.622 4.871 1.00 0.00 C ATOM 829 CG PHE A 54 4.943 1.914 5.439 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.736 1.873 6.821 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.013 1.335 4.576 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.599 1.249 7.338 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.879 0.709 5.091 1.00 0.00 C ATOM 834 CZ PHE A 54 2.668 0.666 6.471 1.00 0.00 C ATOM 0 H PHE A 54 5.561 4.199 6.973 1.00 0.00 H new ATOM 0 HA PHE A 54 6.464 4.657 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.353 2.272 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.035 2.398 5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.455 2.324 7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.171 1.372 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.438 1.216 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.162 0.256 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.787 0.183 6.869 1.00 0.00 H new ATOM 844 N ASP A 55 3.708 4.993 5.521 1.00 0.00 N ATOM 845 CA ASP A 55 2.248 5.305 5.384 1.00 0.00 C ATOM 846 C ASP A 55 1.426 4.157 4.770 1.00 0.00 C ATOM 847 O ASP A 55 0.535 3.639 5.408 1.00 0.00 O ATOM 848 CB ASP A 55 2.149 6.573 4.523 1.00 0.00 C ATOM 849 CG ASP A 55 2.999 6.446 3.263 1.00 0.00 C ATOM 850 OD1 ASP A 55 4.202 6.594 3.369 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.429 6.215 2.210 1.00 0.00 O ATOM 0 H ASP A 55 4.111 5.285 6.412 1.00 0.00 H new ATOM 0 HA ASP A 55 1.819 5.451 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.109 6.750 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.477 7.436 5.102 1.00 0.00 H new ATOM 856 N ILE A 56 1.667 3.777 3.543 1.00 0.00 N ATOM 857 CA ILE A 56 0.822 2.699 2.927 1.00 0.00 C ATOM 858 C ILE A 56 1.628 1.468 2.487 1.00 0.00 C ATOM 859 O ILE A 56 2.770 1.571 2.093 1.00 0.00 O ATOM 860 CB ILE A 56 0.202 3.375 1.706 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.328 4.760 2.107 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.928 2.499 1.167 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.218 5.327 0.999 1.00 0.00 C ATOM 0 H ILE A 56 2.400 4.157 2.944 1.00 0.00 H new ATOM 0 HA ILE A 56 0.097 2.317 3.646 1.00 0.00 H new ATOM 0 HB ILE A 56 0.951 3.501 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.894 4.686 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.506 5.436 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.374 2.977 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.529 1.525 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.687 2.369 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.587 6.309 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.640 5.419 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.062 4.657 0.832 1.00 0.00 H new ATOM 875 N ALA A 57 1.011 0.300 2.513 1.00 0.00 N ATOM 876 CA ALA A 57 1.728 -0.941 2.069 1.00 0.00 C ATOM 877 C ALA A 57 0.777 -1.815 1.260 1.00 0.00 C ATOM 878 O ALA A 57 -0.396 -1.875 1.544 1.00 0.00 O ATOM 879 CB ALA A 57 2.137 -1.673 3.347 1.00 0.00 C ATOM 0 H ALA A 57 0.049 0.158 2.821 1.00 0.00 H new ATOM 0 HA ALA A 57 2.592 -0.708 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.666 -2.590 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.790 -1.033 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.247 -1.919 3.926 1.00 0.00 H new ATOM 885 N ILE A 58 1.245 -2.500 0.258 1.00 0.00 N ATOM 886 CA ILE A 58 0.295 -3.342 -0.513 1.00 0.00 C ATOM 887 C ILE A 58 0.891 -4.696 -0.899 1.00 0.00 C ATOM 888 O ILE A 58 1.504 -4.850 -1.937 1.00 0.00 O ATOM 889 CB ILE A 58 -0.041 -2.527 -1.760 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.976 -1.381 -1.374 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.739 -3.424 -2.783 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.154 -0.210 -0.842 1.00 0.00 C ATOM 0 H ILE A 58 2.216 -2.515 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.586 -3.576 0.085 1.00 0.00 H new ATOM 0 HB ILE A 58 0.876 -2.126 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.559 -1.066 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.685 -1.715 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.979 -2.842 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.079 -4.248 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.657 -3.822 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.821 0.607 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.409 -0.530 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.537 0.130 -1.613 1.00 0.00 H new ATOM 904 N ILE A 59 0.639 -5.690 -0.098 1.00 0.00 N ATOM 905 CA ILE A 59 1.095 -7.068 -0.427 1.00 0.00 C ATOM 906 C ILE A 59 -0.061 -7.708 -1.162 1.00 0.00 C ATOM 907 O ILE A 59 -0.877 -8.393 -0.577 1.00 0.00 O ATOM 908 CB ILE A 59 1.303 -7.763 0.918 1.00 0.00 C ATOM 909 CG1 ILE A 59 1.966 -6.812 1.917 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.174 -8.988 0.716 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.076 -6.040 1.231 1.00 0.00 C ATOM 0 H ILE A 59 0.130 -5.606 0.782 1.00 0.00 H new ATOM 0 HA ILE A 59 2.005 -7.115 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 59 0.334 -8.061 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.226 -6.121 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.369 -7.376 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.326 -9.488 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.685 -9.672 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.138 -8.686 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.545 -5.364 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.821 -6.737 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.661 -5.463 0.405 1.00 0.00 H new ATOM 923 N ASP A 60 -0.192 -7.435 -2.418 1.00 0.00 N ATOM 924 CA ASP A 60 -1.367 -7.978 -3.136 1.00 0.00 C ATOM 925 C ASP A 60 -1.161 -9.427 -3.555 1.00 0.00 C ATOM 926 O ASP A 60 -0.238 -10.095 -3.130 1.00 0.00 O ATOM 927 CB ASP A 60 -1.570 -7.039 -4.341 1.00 0.00 C ATOM 928 CG ASP A 60 -1.193 -7.730 -5.659 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.032 -8.070 -5.818 1.00 0.00 O ATOM 930 OD2 ASP A 60 -2.075 -7.902 -6.484 1.00 0.00 O ATOM 0 H ASP A 60 0.450 -6.870 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.252 -8.005 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.610 -6.717 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.964 -6.143 -4.212 1.00 0.00 H new ATOM 935 N VAL A 61 -2.043 -9.913 -4.377 1.00 0.00 N ATOM 936 CA VAL A 61 -1.945 -11.315 -4.824 1.00 0.00 C ATOM 937 C VAL A 61 -2.009 -12.227 -3.587 1.00 0.00 C ATOM 938 O VAL A 61 -1.020 -12.545 -2.957 1.00 0.00 O ATOM 939 CB VAL A 61 -0.616 -11.372 -5.606 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.428 -12.245 -4.902 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.889 -11.946 -6.997 1.00 0.00 C ATOM 0 H VAL A 61 -2.832 -9.391 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.754 -11.659 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.217 -10.360 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.347 -12.256 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.634 -11.839 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.047 -13.262 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.043 -11.992 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.305 -12.949 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.599 -11.307 -7.521 1.00 0.00 H new ATOM 951 N ASN A 62 -3.198 -12.616 -3.215 1.00 0.00 N ATOM 952 CA ASN A 62 -3.363 -13.476 -2.011 1.00 0.00 C ATOM 953 C ASN A 62 -4.330 -14.622 -2.309 1.00 0.00 C ATOM 954 O ASN A 62 -5.478 -14.596 -1.915 1.00 0.00 O ATOM 955 CB ASN A 62 -3.948 -12.551 -0.942 1.00 0.00 C ATOM 956 CG ASN A 62 -2.873 -12.225 0.096 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.655 -12.984 1.021 1.00 0.00 O ATOM 958 ND2 ASN A 62 -2.185 -11.122 -0.020 1.00 0.00 N ATOM 0 H ASN A 62 -4.065 -12.374 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.422 -13.926 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.315 -11.633 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.801 -13.029 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.464 -10.896 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.368 -10.486 -0.796 1.00 0.00 H new ATOM 965 N LEU A 63 -3.874 -15.629 -2.996 1.00 0.00 N ATOM 966 CA LEU A 63 -4.768 -16.775 -3.311 1.00 0.00 C ATOM 967 C LEU A 63 -3.961 -18.071 -3.294 1.00 0.00 C ATOM 968 O LEU A 63 -2.790 -18.076 -2.972 1.00 0.00 O ATOM 969 CB LEU A 63 -5.320 -16.489 -4.708 1.00 0.00 C ATOM 970 CG LEU A 63 -4.178 -16.101 -5.646 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.601 -16.361 -7.092 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.859 -14.612 -5.473 1.00 0.00 C ATOM 0 H LEU A 63 -2.922 -15.708 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.574 -16.889 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.836 -17.369 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.054 -15.684 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.295 -16.694 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.788 -16.085 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.833 -17.418 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.483 -15.765 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.044 -14.334 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.743 -14.020 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.563 -14.421 -4.442 1.00 0.00 H new ATOM 984 N ASP A 64 -4.575 -19.172 -3.621 1.00 0.00 N ATOM 985 CA ASP A 64 -3.831 -20.462 -3.605 1.00 0.00 C ATOM 986 C ASP A 64 -3.055 -20.594 -2.290 1.00 0.00 C ATOM 987 O ASP A 64 -2.087 -21.322 -2.199 1.00 0.00 O ATOM 988 CB ASP A 64 -2.867 -20.380 -4.790 1.00 0.00 C ATOM 989 CG ASP A 64 -2.870 -21.711 -5.543 1.00 0.00 C ATOM 990 OD1 ASP A 64 -3.934 -22.119 -5.980 1.00 0.00 O ATOM 991 OD2 ASP A 64 -1.809 -22.300 -5.669 1.00 0.00 O ATOM 0 H ASP A 64 -5.555 -19.236 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.491 -21.326 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.163 -19.571 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.861 -20.151 -4.439 1.00 0.00 H new ATOM 996 N GLY A 65 -3.475 -19.888 -1.273 1.00 0.00 N ATOM 997 CA GLY A 65 -2.766 -19.959 0.036 1.00 0.00 C ATOM 998 C GLY A 65 -2.680 -18.557 0.635 1.00 0.00 C ATOM 999 O GLY A 65 -2.439 -18.385 1.813 1.00 0.00 O ATOM 0 H GLY A 65 -4.281 -19.264 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.297 -20.626 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.766 -20.372 -0.100 1.00 0.00 H new ATOM 1003 N GLU A 66 -2.880 -17.555 -0.171 1.00 0.00 N ATOM 1004 CA GLU A 66 -2.817 -16.157 0.339 1.00 0.00 C ATOM 1005 C GLU A 66 -1.487 -15.909 1.060 1.00 0.00 C ATOM 1006 O GLU A 66 -1.446 -15.801 2.271 1.00 0.00 O ATOM 1007 CB GLU A 66 -3.993 -16.036 1.309 1.00 0.00 C ATOM 1008 CG GLU A 66 -5.297 -16.359 0.578 1.00 0.00 C ATOM 1009 CD GLU A 66 -6.442 -15.556 1.196 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -7.014 -16.027 2.164 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -6.725 -14.482 0.692 1.00 0.00 O ATOM 0 H GLU A 66 -3.085 -17.643 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.876 -15.422 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.857 -16.718 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.035 -15.028 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.201 -16.120 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.509 -17.426 0.646 1.00 0.00 H new ATOM 1018 N PRO A 67 -0.440 -15.828 0.282 1.00 0.00 N ATOM 1019 CA PRO A 67 0.914 -15.590 0.841 1.00 0.00 C ATOM 1020 C PRO A 67 1.085 -14.118 1.236 1.00 0.00 C ATOM 1021 O PRO A 67 1.752 -13.357 0.564 1.00 0.00 O ATOM 1022 CB PRO A 67 1.843 -15.948 -0.314 1.00 0.00 C ATOM 1023 CG PRO A 67 1.025 -15.751 -1.553 1.00 0.00 C ATOM 1024 CD PRO A 67 -0.421 -15.955 -1.179 1.00 0.00 C ATOM 0 HA PRO A 67 1.111 -16.171 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.727 -15.310 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.193 -16.977 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.179 -14.751 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.324 -16.458 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.063 -15.211 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.780 -16.934 -1.498 1.00 0.00 H new ATOM 1032 N SER A 68 0.489 -13.716 2.323 1.00 0.00 N ATOM 1033 CA SER A 68 0.615 -12.298 2.769 1.00 0.00 C ATOM 1034 C SER A 68 1.556 -12.206 3.973 1.00 0.00 C ATOM 1035 O SER A 68 1.735 -11.155 4.555 1.00 0.00 O ATOM 1036 CB SER A 68 -0.803 -11.896 3.174 1.00 0.00 C ATOM 1037 OG SER A 68 -0.751 -10.730 3.982 1.00 0.00 O ATOM 0 H SER A 68 -0.082 -14.309 2.925 1.00 0.00 H new ATOM 0 HA SER A 68 1.025 -11.651 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.407 -11.710 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.281 -12.709 3.720 1.00 0.00 H new ATOM 0 HG SER A 68 -1.660 -10.471 4.241 1.00 0.00 H new ATOM 1043 N TYR A 69 2.146 -13.309 4.351 1.00 0.00 N ATOM 1044 CA TYR A 69 3.062 -13.333 5.528 1.00 0.00 C ATOM 1045 C TYR A 69 2.387 -12.662 6.721 1.00 0.00 C ATOM 1046 O TYR A 69 1.330 -12.079 6.596 1.00 0.00 O ATOM 1047 CB TYR A 69 4.362 -12.582 5.161 1.00 0.00 C ATOM 1048 CG TYR A 69 4.313 -11.944 3.786 1.00 0.00 C ATOM 1049 CD1 TYR A 69 4.051 -12.718 2.651 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.566 -10.572 3.648 1.00 0.00 C ATOM 1051 CE1 TYR A 69 4.045 -12.124 1.386 1.00 0.00 C ATOM 1052 CE2 TYR A 69 4.552 -9.977 2.385 1.00 0.00 C ATOM 1053 CZ TYR A 69 4.293 -10.757 1.251 1.00 0.00 C ATOM 1054 OH TYR A 69 4.300 -10.183 -0.005 1.00 0.00 O ATOM 0 H TYR A 69 2.029 -14.209 3.886 1.00 0.00 H new ATOM 0 HA TYR A 69 3.297 -14.363 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.551 -11.810 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.200 -13.277 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.853 -13.775 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.773 -9.973 4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.848 -12.724 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.740 -8.918 2.283 1.00 0.00 H new ATOM 0 HH TYR A 69 4.913 -9.419 -0.012 1.00 0.00 H new ATOM 1064 N PRO A 70 3.023 -12.769 7.847 1.00 0.00 N ATOM 1065 CA PRO A 70 2.480 -12.158 9.073 1.00 0.00 C ATOM 1066 C PRO A 70 2.732 -10.650 9.067 1.00 0.00 C ATOM 1067 O PRO A 70 2.383 -9.956 9.998 1.00 0.00 O ATOM 1068 CB PRO A 70 3.263 -12.834 10.189 1.00 0.00 C ATOM 1069 CG PRO A 70 4.550 -13.269 9.559 1.00 0.00 C ATOM 1070 CD PRO A 70 4.291 -13.464 8.085 1.00 0.00 C ATOM 0 HA PRO A 70 1.403 -12.289 9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.442 -12.147 11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.716 -13.685 10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.326 -12.520 9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.905 -14.195 10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.095 -13.044 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.220 -14.521 7.830 1.00 0.00 H new ATOM 1078 N VAL A 71 3.331 -10.126 8.028 1.00 0.00 N ATOM 1079 CA VAL A 71 3.579 -8.657 8.010 1.00 0.00 C ATOM 1080 C VAL A 71 2.348 -7.941 7.450 1.00 0.00 C ATOM 1081 O VAL A 71 1.832 -7.034 8.064 1.00 0.00 O ATOM 1082 CB VAL A 71 4.854 -8.405 7.166 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.706 -9.675 7.086 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.497 -7.943 5.746 1.00 0.00 C ATOM 0 H VAL A 71 3.653 -10.641 7.208 1.00 0.00 H new ATOM 0 HA VAL A 71 3.744 -8.261 9.012 1.00 0.00 H new ATOM 0 HB VAL A 71 5.423 -7.617 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.597 -9.479 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.002 -9.979 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.127 -10.473 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.412 -7.774 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.900 -8.710 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.926 -7.016 5.798 1.00 0.00 H new ATOM 1094 N ALA A 72 1.850 -8.354 6.313 1.00 0.00 N ATOM 1095 CA ALA A 72 0.635 -7.699 5.765 1.00 0.00 C ATOM 1096 C ALA A 72 -0.565 -8.092 6.613 1.00 0.00 C ATOM 1097 O ALA A 72 -1.321 -7.257 7.068 1.00 0.00 O ATOM 1098 CB ALA A 72 0.478 -8.261 4.362 1.00 0.00 C ATOM 0 H ALA A 72 2.232 -9.112 5.747 1.00 0.00 H new ATOM 0 HA ALA A 72 0.710 -6.612 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.402 -7.823 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.363 -8.021 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.360 -9.343 4.415 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.738 -9.364 6.840 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.881 -9.806 7.671 1.00 0.00 C ATOM 1106 C ASP A 73 -1.906 -8.986 8.953 1.00 0.00 C ATOM 1107 O ASP A 73 -2.895 -8.368 9.298 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.606 -11.269 7.980 1.00 0.00 C ATOM 1109 CG ASP A 73 -2.261 -12.154 6.917 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -3.355 -11.822 6.490 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.658 -13.149 6.548 1.00 0.00 O ATOM 0 H ASP A 73 -0.139 -10.110 6.486 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.842 -9.678 7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.531 -11.449 8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.995 -11.521 8.967 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.805 -8.959 9.648 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.738 -8.157 10.898 1.00 0.00 C ATOM 1118 C ILE A 74 -1.016 -6.702 10.551 1.00 0.00 C ATOM 1119 O ILE A 74 -1.727 -6.004 11.246 1.00 0.00 O ATOM 1120 CB ILE A 74 0.690 -8.327 11.411 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.840 -9.726 12.017 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.974 -7.272 12.481 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.215 -9.867 12.674 1.00 0.00 C ATOM 0 H ILE A 74 0.051 -9.458 9.404 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.463 -8.470 11.649 1.00 0.00 H new ATOM 0 HB ILE A 74 1.395 -8.206 10.589 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.056 -9.898 12.755 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.719 -10.482 11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.993 -7.392 12.849 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.858 -6.277 12.051 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.274 -7.394 13.307 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.313 -10.865 13.102 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.993 -9.715 11.926 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.320 -9.122 13.463 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.470 -6.251 9.455 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.710 -4.853 9.026 1.00 0.00 C ATOM 1137 C LEU A 75 -2.215 -4.605 8.970 1.00 0.00 C ATOM 1138 O LEU A 75 -2.676 -3.490 9.061 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.085 -4.760 7.634 1.00 0.00 C ATOM 1140 CG LEU A 75 0.308 -3.315 7.350 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.680 -3.048 7.965 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.384 -3.098 5.838 1.00 0.00 C ATOM 0 H LEU A 75 0.133 -6.796 8.839 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.283 -4.113 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.791 -5.405 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.792 -5.111 6.882 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.432 -2.639 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.972 -2.017 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.635 -3.213 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.414 -3.723 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.665 -2.065 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.130 -3.769 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.588 -3.305 5.391 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.981 -5.653 8.835 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.454 -5.507 8.788 1.00 0.00 C ATOM 1156 C ALA A 76 -5.032 -5.716 10.190 1.00 0.00 C ATOM 1157 O ALA A 76 -5.955 -5.040 10.599 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.934 -6.599 7.832 1.00 0.00 C ATOM 0 H ALA A 76 -2.641 -6.611 8.755 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.769 -4.519 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.020 -6.555 7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.485 -6.447 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.640 -7.575 8.218 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.488 -6.644 10.933 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.999 -6.887 12.311 1.00 0.00 C ATOM 1166 C GLU A 77 -4.872 -5.596 13.132 1.00 0.00 C ATOM 1167 O GLU A 77 -5.786 -5.197 13.825 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.128 -8.036 12.857 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.161 -7.546 13.943 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.455 -8.751 14.567 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.139 -9.704 14.904 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.243 -8.703 14.695 1.00 0.00 O ATOM 0 H GLU A 77 -3.714 -7.242 10.645 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.053 -7.162 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.769 -8.817 13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.562 -8.484 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.429 -6.862 13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.705 -6.991 14.708 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.753 -4.927 13.032 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.575 -3.650 13.769 1.00 0.00 C ATOM 1181 C ARG A 78 -3.996 -2.501 12.852 1.00 0.00 C ATOM 1182 O ARG A 78 -4.368 -1.433 13.294 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.084 -3.573 14.096 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.272 -3.749 12.814 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.321 -2.563 12.650 1.00 0.00 C ATOM 1186 NE ARG A 78 0.986 -3.172 12.285 1.00 0.00 N ATOM 1187 CZ ARG A 78 2.096 -2.530 12.525 1.00 0.00 C ATOM 1188 NH1 ARG A 78 2.117 -1.226 12.486 1.00 0.00 N ATOM 1189 NH2 ARG A 78 3.185 -3.190 12.810 1.00 0.00 N ATOM 0 H ARG A 78 -2.954 -5.215 12.468 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.173 -3.590 14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.851 -2.614 14.558 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.818 -4.346 14.817 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.707 -4.680 12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.939 -3.817 11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.670 -1.881 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.245 -1.986 13.572 1.00 0.00 H new ATOM 0 HE ARG A 78 1.014 -4.093 11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.266 -0.709 12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.985 -0.724 12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.169 -4.209 12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.052 -2.687 12.997 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.959 -2.748 11.567 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.371 -1.729 10.560 1.00 0.00 C ATOM 1205 C ASN A 79 -4.060 -0.305 11.021 1.00 0.00 C ATOM 1206 O ASN A 79 -4.785 0.298 11.788 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.879 -1.931 10.390 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.530 -2.174 11.754 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.071 -1.266 12.353 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.499 -3.372 12.272 1.00 0.00 N ATOM 0 H ASN A 79 -3.653 -3.635 11.167 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.825 -1.854 9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.321 -1.054 9.918 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.069 -2.778 9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.929 -3.546 13.180 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.045 -4.134 11.768 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.992 0.234 10.515 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.588 1.626 10.847 1.00 0.00 C ATOM 1219 C VAL A 80 -2.859 2.478 9.591 1.00 0.00 C ATOM 1220 O VAL A 80 -3.349 1.944 8.616 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.090 1.467 11.180 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.207 1.983 10.035 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.761 2.213 12.476 1.00 0.00 C ATOM 0 H VAL A 80 -2.365 -0.244 9.868 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.112 2.113 11.670 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.883 0.405 11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.843 1.857 10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.422 1.419 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.414 3.039 9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.298 2.096 12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.991 3.271 12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.356 1.803 13.293 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.530 3.750 9.600 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.768 4.559 8.382 1.00 0.00 C ATOM 1235 C PRO A 81 -2.037 3.891 7.227 1.00 0.00 C ATOM 1236 O PRO A 81 -0.843 3.679 7.275 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.211 5.935 8.745 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.261 5.655 9.860 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.911 4.553 10.657 1.00 0.00 C ATOM 0 HA PRO A 81 -3.809 4.647 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.706 6.398 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.002 6.617 9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.287 5.346 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.098 6.542 10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.184 3.981 11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.647 4.937 11.363 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.763 3.505 6.215 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.132 2.777 5.075 1.00 0.00 C ATOM 1249 C PHE A 82 -3.170 2.410 4.012 1.00 0.00 C ATOM 1250 O PHE A 82 -4.081 3.159 3.718 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.576 1.495 5.710 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.703 0.569 6.159 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.035 1.022 6.258 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.400 -0.754 6.505 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.042 0.154 6.699 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.412 -1.617 6.953 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.730 -1.162 7.049 1.00 0.00 C ATOM 0 H PHE A 82 -3.767 3.662 6.127 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.372 3.381 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.940 0.977 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.950 1.751 6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.279 2.040 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.384 -1.111 6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.062 0.503 6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.172 -2.634 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.507 -1.828 7.394 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.026 1.244 3.453 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.967 0.756 2.421 1.00 0.00 C ATOM 1269 C ILE A 83 -3.470 -0.609 1.974 1.00 0.00 C ATOM 1270 O ILE A 83 -2.330 -0.963 2.229 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.903 1.795 1.306 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.270 2.465 1.161 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.507 1.152 -0.031 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.102 3.826 0.485 1.00 0.00 C ATOM 0 H ILE A 83 -2.273 0.594 3.678 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.998 0.640 2.757 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.146 2.534 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.935 1.834 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.732 2.588 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.470 1.918 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.527 0.686 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.243 0.396 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.076 4.304 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.452 4.456 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.658 3.690 -0.501 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.307 -1.378 1.343 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.882 -2.732 0.914 1.00 0.00 C ATOM 1288 C PHE A 84 -4.741 -3.223 -0.259 1.00 0.00 C ATOM 1289 O PHE A 84 -5.757 -2.640 -0.612 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.132 -3.563 2.162 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.202 -4.755 2.232 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.938 -4.633 2.828 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.624 -5.998 1.744 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.107 -5.753 2.933 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.785 -7.111 1.844 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.534 -6.990 2.440 1.00 0.00 C ATOM 0 H PHE A 84 -5.267 -1.127 1.106 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.852 -2.780 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.996 -2.942 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.166 -3.907 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.607 -3.676 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.599 -6.096 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.135 -5.662 3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.108 -8.066 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.891 -7.854 2.522 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.350 -4.298 -0.866 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.147 -4.821 -1.999 1.00 0.00 C ATOM 1308 C ALA A 85 -4.683 -6.225 -2.356 1.00 0.00 C ATOM 1309 O ALA A 85 -3.514 -6.456 -2.541 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.874 -3.859 -3.154 1.00 0.00 C ATOM 0 H ALA A 85 -3.517 -4.836 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.210 -4.883 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.431 -4.180 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.188 -2.854 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.808 -3.856 -3.381 1.00 0.00 H new ATOM 1316 N THR A 86 -5.582 -7.164 -2.453 1.00 0.00 N ATOM 1317 CA THR A 86 -5.161 -8.552 -2.799 1.00 0.00 C ATOM 1318 C THR A 86 -6.325 -9.305 -3.445 1.00 0.00 C ATOM 1319 O THR A 86 -7.287 -8.715 -3.894 1.00 0.00 O ATOM 1320 CB THR A 86 -4.743 -9.239 -1.482 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.764 -10.142 -1.080 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.504 -8.219 -0.359 1.00 0.00 C ATOM 0 H THR A 86 -6.583 -7.033 -2.309 1.00 0.00 H new ATOM 0 HA THR A 86 -4.334 -8.545 -3.509 1.00 0.00 H new ATOM 0 HB THR A 86 -3.808 -9.770 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.224 -9.786 -0.291 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.212 -8.742 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.710 -7.532 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.420 -7.658 -0.176 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.237 -10.604 -3.506 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.327 -11.398 -4.137 1.00 0.00 C ATOM 1332 C GLY A 87 -8.622 -11.285 -3.327 1.00 0.00 C ATOM 1333 O GLY A 87 -9.700 -11.480 -3.855 1.00 0.00 O ATOM 0 H GLY A 87 -5.455 -11.151 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.497 -11.046 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.027 -12.444 -4.208 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.549 -10.992 -2.054 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.815 -10.903 -1.269 1.00 0.00 C ATOM 1339 C TYR A 88 -10.321 -9.455 -1.151 1.00 0.00 C ATOM 1340 O TYR A 88 -11.364 -9.207 -0.579 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.523 -11.546 0.099 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.555 -10.732 0.932 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.890 -9.622 0.403 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.336 -11.103 2.263 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.011 -8.885 1.204 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.454 -10.372 3.060 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.792 -9.261 2.532 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.928 -8.531 3.322 1.00 0.00 O ATOM 0 H TYR A 88 -7.689 -10.814 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.625 -11.433 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.458 -11.664 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.114 -12.545 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.055 -9.333 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.851 -11.958 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.501 -8.025 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.283 -10.665 4.085 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.928 -7.596 3.029 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.617 -8.496 -1.700 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.101 -7.091 -1.620 1.00 0.00 C ATOM 1360 C GLY A 89 -10.194 -6.672 -0.160 1.00 0.00 C ATOM 1361 O GLY A 89 -11.252 -6.347 0.343 1.00 0.00 O ATOM 0 H GLY A 89 -8.735 -8.627 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.422 -6.429 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.077 -7.003 -2.098 1.00 0.00 H new ATOM 1365 N SER A 90 -9.090 -6.676 0.523 1.00 0.00 N ATOM 1366 CA SER A 90 -9.090 -6.278 1.956 1.00 0.00 C ATOM 1367 C SER A 90 -9.789 -7.339 2.812 1.00 0.00 C ATOM 1368 O SER A 90 -10.798 -7.897 2.426 1.00 0.00 O ATOM 1369 CB SER A 90 -9.857 -4.955 2.011 1.00 0.00 C ATOM 1370 OG SER A 90 -11.067 -5.134 2.741 1.00 0.00 O ATOM 0 H SER A 90 -8.179 -6.940 0.149 1.00 0.00 H new ATOM 0 HA SER A 90 -8.077 -6.177 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.245 -4.188 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.077 -4.609 1.001 1.00 0.00 H new ATOM 0 HG SER A 90 -11.703 -5.645 2.199 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.262 -7.617 3.974 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.889 -8.635 4.858 1.00 0.00 C ATOM 1378 C LYS A 91 -10.805 -7.955 5.888 1.00 0.00 C ATOM 1379 O LYS A 91 -11.507 -8.606 6.636 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.698 -9.345 5.526 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.481 -8.840 6.955 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.246 -9.519 7.548 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.948 -8.918 8.922 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.728 -9.742 9.889 1.00 0.00 N ATOM 0 H LYS A 91 -8.420 -7.179 4.349 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.523 -9.339 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.874 -10.421 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.796 -9.178 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.351 -7.758 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.357 -9.055 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.415 -10.592 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.390 -9.384 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.882 -8.955 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.247 -7.871 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.571 -9.386 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.740 -9.683 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.417 -10.733 9.831 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.789 -6.652 5.934 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.640 -5.920 6.915 1.00 0.00 C ATOM 1400 C GLY A 92 -10.807 -4.820 7.576 1.00 0.00 C ATOM 1401 O GLY A 92 -11.314 -4.003 8.318 1.00 0.00 O ATOM 0 H GLY A 92 -10.220 -6.059 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.505 -5.487 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.021 -6.608 7.670 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.529 -4.794 7.301 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.644 -3.750 7.894 1.00 0.00 C ATOM 1407 C LEU A 93 -9.359 -2.392 7.975 1.00 0.00 C ATOM 1408 O LEU A 93 -9.995 -1.944 7.044 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.410 -3.708 6.970 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.614 -2.790 5.745 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -8.945 -3.082 5.046 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -7.569 -1.323 6.174 1.00 0.00 C ATOM 0 H LEU A 93 -9.058 -5.457 6.686 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.363 -3.980 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.547 -3.362 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.182 -4.718 6.628 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.806 -2.989 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.058 -2.419 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.959 -4.118 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.766 -2.917 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.714 -0.684 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.360 -1.132 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.601 -1.106 6.626 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.262 -1.739 9.099 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.927 -0.412 9.257 1.00 0.00 C ATOM 1426 C ASP A 94 -8.878 0.697 9.349 1.00 0.00 C ATOM 1427 O ASP A 94 -7.758 0.472 9.766 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.730 -0.516 10.556 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.791 -0.842 11.719 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.188 0.080 12.244 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.693 -2.007 12.067 1.00 0.00 O ATOM 0 H ASP A 94 -8.750 -2.066 9.918 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.567 -0.167 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.251 0.422 10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.491 -1.290 10.463 1.00 0.00 H new ATOM 1436 N THR A 95 -9.227 1.892 8.966 1.00 0.00 N ATOM 1437 CA THR A 95 -8.244 3.008 9.037 1.00 0.00 C ATOM 1438 C THR A 95 -8.919 4.338 8.723 1.00 0.00 C ATOM 1439 O THR A 95 -10.117 4.414 8.540 1.00 0.00 O ATOM 1440 CB THR A 95 -7.201 2.685 7.968 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.219 3.709 7.938 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.877 2.579 6.602 1.00 0.00 C ATOM 0 H THR A 95 -10.148 2.144 8.608 1.00 0.00 H new ATOM 0 HA THR A 95 -7.806 3.100 10.031 1.00 0.00 H new ATOM 0 HB THR A 95 -6.724 1.734 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.550 3.501 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.129 2.349 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.625 1.787 6.627 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.359 3.526 6.360 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.152 5.385 8.645 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.740 6.710 8.325 1.00 0.00 C ATOM 1452 C ARG A 96 -9.105 6.761 6.841 1.00 0.00 C ATOM 1453 O ARG A 96 -9.616 7.748 6.354 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.636 7.720 8.641 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.053 7.431 10.026 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.446 8.551 10.992 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.238 9.416 11.094 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.367 10.686 11.372 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.472 11.127 11.908 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.386 11.512 11.121 1.00 0.00 N ATOM 0 H ARG A 96 -7.142 5.380 8.789 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.648 6.915 8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.851 7.663 7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.037 8.733 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.421 6.473 10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.967 7.353 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.302 9.112 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.728 8.151 11.966 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.311 9.017 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.235 10.480 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.573 12.118 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.520 11.165 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.486 12.504 11.338 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.839 5.703 6.115 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.166 5.702 4.659 1.00 0.00 C ATOM 1476 C TYR A 97 -10.630 5.311 4.428 1.00 0.00 C ATOM 1477 O TYR A 97 -11.341 6.008 3.737 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.230 4.666 4.041 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.802 5.169 4.110 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.111 5.175 5.330 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.171 5.636 2.952 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.794 5.649 5.388 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.855 6.107 3.010 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.167 6.115 4.228 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.871 6.583 4.286 1.00 0.00 O ATOM 0 H TYR A 97 -8.412 4.846 6.467 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.036 6.689 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.319 3.718 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.511 4.479 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.594 4.814 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.701 5.633 2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.263 5.655 6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.370 6.465 2.114 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.586 6.868 3.393 1.00 0.00 H new ATOM 1495 N SER A 98 -11.058 4.198 5.006 1.00 0.00 N ATOM 1496 CA SER A 98 -12.476 3.680 4.872 1.00 0.00 C ATOM 1497 C SER A 98 -12.479 2.337 4.140 1.00 0.00 C ATOM 1498 O SER A 98 -13.515 1.747 3.914 1.00 0.00 O ATOM 1499 CB SER A 98 -13.296 4.698 4.091 1.00 0.00 C ATOM 1500 OG SER A 98 -14.662 4.305 4.092 1.00 0.00 O ATOM 0 H SER A 98 -10.461 3.607 5.585 1.00 0.00 H new ATOM 0 HA SER A 98 -12.909 3.535 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.190 5.686 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.928 4.770 3.068 1.00 0.00 H new ATOM 0 HG SER A 98 -14.722 3.331 4.000 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.326 1.842 3.791 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.249 0.522 3.096 1.00 0.00 C ATOM 1508 C ASN A 99 -11.886 0.575 1.700 1.00 0.00 C ATOM 1509 O ASN A 99 -12.219 -0.445 1.129 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.016 -0.443 4.002 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.640 -0.179 5.462 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.372 -0.533 6.365 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -10.519 0.433 5.731 1.00 0.00 N ATOM 0 H ASN A 99 -10.427 2.295 3.957 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.215 0.215 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.089 -0.314 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.781 -1.473 3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.257 0.614 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.905 0.730 4.972 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.052 1.741 1.135 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.660 1.809 -0.233 1.00 0.00 C ATOM 1522 C ILE A 100 -11.603 1.719 -1.352 1.00 0.00 C ATOM 1523 O ILE A 100 -11.929 1.316 -2.450 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.418 3.140 -0.325 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.437 4.326 -0.449 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.328 3.295 0.897 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.260 5.053 0.890 1.00 0.00 C ATOM 0 H ILE A 100 -11.799 2.638 1.550 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.326 0.958 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.036 3.138 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.470 3.964 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.805 5.027 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.867 4.240 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.042 2.472 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.724 3.283 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.563 5.882 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.223 5.437 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.868 4.358 1.632 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.375 2.102 -1.072 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.331 2.045 -2.118 1.00 0.00 C ATOM 1541 C PRO A 101 -8.693 0.656 -2.176 1.00 0.00 C ATOM 1542 O PRO A 101 -7.787 0.413 -2.948 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.308 3.067 -1.650 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.475 3.157 -0.161 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.840 2.615 0.195 1.00 0.00 C ATOM 0 HA PRO A 101 -9.723 2.246 -3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.297 2.757 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.477 4.035 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.696 2.586 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.378 4.191 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.771 1.827 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.480 3.394 0.610 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.142 -0.253 -1.356 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.538 -1.617 -1.358 1.00 0.00 C ATOM 1555 C LEU A 102 -9.047 -2.428 -2.550 1.00 0.00 C ATOM 1556 O LEU A 102 -10.148 -2.230 -3.023 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.974 -2.255 -0.035 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.928 -1.215 1.094 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.857 -1.933 2.436 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -7.693 -0.317 0.941 1.00 0.00 C ATOM 0 H LEU A 102 -9.898 -0.112 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.452 -1.583 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.984 -2.655 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.321 -3.094 0.206 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.826 -0.599 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.824 -1.198 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.737 -2.565 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.959 -2.550 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.673 0.415 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.791 -0.928 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.736 0.200 -0.017 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.243 -3.326 -3.053 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.686 -4.129 -4.239 1.00 0.00 C ATOM 1574 C LEU A 103 -7.687 -5.248 -4.558 1.00 0.00 C ATOM 1575 O LEU A 103 -6.737 -5.467 -3.845 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.683 -3.099 -5.379 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.851 -3.275 -6.372 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.828 -4.370 -5.941 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.598 -1.950 -6.460 1.00 0.00 C ATOM 0 H LEU A 103 -7.309 -3.540 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.649 -4.613 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.727 -2.097 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.741 -3.173 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.438 -3.572 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.630 -4.452 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.301 -5.322 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.251 -4.118 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.430 -2.047 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.979 -1.681 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.920 -1.172 -6.811 1.00 0.00 H new ATOM 1591 N THR A 104 -7.872 -5.926 -5.659 1.00 0.00 N ATOM 1592 CA THR A 104 -6.901 -6.983 -6.050 1.00 0.00 C ATOM 1593 C THR A 104 -5.909 -6.364 -7.017 1.00 0.00 C ATOM 1594 O THR A 104 -5.271 -7.036 -7.803 1.00 0.00 O ATOM 1595 CB THR A 104 -7.687 -8.126 -6.715 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.835 -8.797 -7.634 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.906 -7.584 -7.463 1.00 0.00 C ATOM 0 H THR A 104 -8.653 -5.792 -6.302 1.00 0.00 H new ATOM 0 HA THR A 104 -6.359 -7.382 -5.193 1.00 0.00 H new ATOM 0 HB THR A 104 -8.031 -8.813 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.900 -8.607 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.446 -8.410 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.563 -7.068 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.579 -6.887 -8.235 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.769 -5.071 -6.939 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.811 -4.366 -7.815 1.00 0.00 C ATOM 1607 C LYS A 105 -5.202 -4.544 -9.302 1.00 0.00 C ATOM 1608 O LYS A 105 -4.375 -4.745 -10.163 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.454 -4.992 -7.418 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.478 -5.034 -8.583 1.00 0.00 C ATOM 1611 CD LYS A 105 -2.566 -6.416 -9.235 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.527 -6.519 -10.355 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.457 -7.968 -10.689 1.00 0.00 N ATOM 0 H LYS A 105 -6.286 -4.471 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.785 -3.283 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.017 -4.419 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.617 -6.004 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.719 -4.256 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.463 -4.842 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.392 -7.193 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.566 -6.577 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.823 -5.929 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.557 -6.143 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.548 -8.174 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.538 -8.529 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.236 -8.214 -11.333 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.474 -4.406 -9.572 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.946 -4.491 -10.973 1.00 0.00 C ATOM 1629 C PRO A 106 -6.446 -3.256 -11.736 1.00 0.00 C ATOM 1630 O PRO A 106 -6.476 -3.206 -12.949 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.468 -4.506 -10.845 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.748 -3.850 -9.533 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.578 -4.166 -8.634 1.00 0.00 C ATOM 0 HA PRO A 106 -6.586 -5.363 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.939 -3.965 -11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.857 -5.524 -10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.863 -2.773 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.678 -4.223 -9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.357 -3.339 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.774 -5.041 -8.014 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.966 -2.270 -11.013 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.428 -1.027 -11.648 1.00 0.00 C ATOM 1643 C PHE A 107 -6.512 -0.277 -12.427 1.00 0.00 C ATOM 1644 O PHE A 107 -6.742 0.891 -12.197 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.305 -1.500 -12.569 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.032 -1.601 -11.766 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.081 -2.029 -10.434 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.808 -1.263 -12.348 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.903 -2.120 -9.684 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.630 -1.353 -11.599 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.676 -1.782 -10.267 1.00 0.00 C ATOM 0 H PHE A 107 -5.925 -2.276 -9.994 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.067 -0.320 -10.901 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.555 -2.468 -13.004 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.176 -0.802 -13.396 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.028 -2.289 -9.985 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.771 -0.932 -13.376 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.940 -2.451 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.316 -1.091 -12.049 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.234 -1.852 -9.690 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.177 -0.928 -13.341 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.247 -0.237 -14.120 1.00 0.00 C ATOM 1663 C LEU A 108 -9.058 0.686 -13.193 1.00 0.00 C ATOM 1664 O LEU A 108 -9.389 1.801 -13.544 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.099 -1.383 -14.682 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.467 -0.879 -15.158 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -11.430 -0.850 -13.975 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.342 0.528 -15.750 1.00 0.00 C ATOM 0 H LEU A 108 -7.027 -1.907 -13.583 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.864 0.403 -14.915 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.574 -1.856 -15.512 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.237 -2.146 -13.916 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.845 -1.551 -15.929 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.404 -0.492 -14.308 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.533 -1.855 -13.565 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.042 -0.182 -13.206 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.322 0.871 -16.083 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.958 1.209 -14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.658 0.506 -16.598 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.350 0.240 -11.998 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.110 1.099 -11.035 1.00 0.00 C ATOM 1682 C ASP A 109 -9.473 1.014 -9.644 1.00 0.00 C ATOM 1683 O ASP A 109 -10.032 1.462 -8.662 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.530 0.538 -10.999 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.508 1.663 -10.661 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.844 2.418 -11.559 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.901 1.754 -9.510 1.00 0.00 O ATOM 0 H ASP A 109 -9.095 -0.683 -11.645 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.103 2.146 -11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.784 0.097 -11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.601 -0.257 -10.256 1.00 0.00 H new ATOM 1692 N SER A 110 -8.320 0.416 -9.550 1.00 0.00 N ATOM 1693 CA SER A 110 -7.657 0.272 -8.223 1.00 0.00 C ATOM 1694 C SER A 110 -6.666 1.417 -7.962 1.00 0.00 C ATOM 1695 O SER A 110 -6.951 2.324 -7.205 1.00 0.00 O ATOM 1696 CB SER A 110 -6.933 -1.065 -8.314 1.00 0.00 C ATOM 1697 OG SER A 110 -6.793 -1.612 -7.009 1.00 0.00 O ATOM 0 H SER A 110 -7.806 0.019 -10.336 1.00 0.00 H new ATOM 0 HA SER A 110 -8.370 0.310 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.491 -1.751 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.953 -0.931 -8.772 1.00 0.00 H new ATOM 0 HG SER A 110 -5.850 -1.584 -6.742 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.505 1.375 -8.570 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.491 2.450 -8.347 1.00 0.00 C ATOM 1705 C GLU A 111 -5.170 3.814 -8.210 1.00 0.00 C ATOM 1706 O GLU A 111 -4.826 4.612 -7.357 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.613 2.418 -9.599 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.462 3.413 -9.447 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.028 3.909 -10.827 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.241 3.226 -11.460 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.493 4.963 -11.228 1.00 0.00 O ATOM 0 H GLU A 111 -5.216 0.638 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.920 2.292 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.220 1.413 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.207 2.666 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.774 4.254 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.622 2.939 -8.939 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.127 4.089 -9.051 1.00 0.00 N ATOM 1719 CA LEU A 112 -6.822 5.410 -8.976 1.00 0.00 C ATOM 1720 C LEU A 112 -7.363 5.665 -7.562 1.00 0.00 C ATOM 1721 O LEU A 112 -6.937 6.581 -6.889 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.964 5.360 -10.002 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.570 3.958 -10.088 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.096 4.065 -10.093 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.110 3.291 -11.384 1.00 0.00 C ATOM 0 H LEU A 112 -6.459 3.462 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.135 6.227 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.737 6.077 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.590 5.658 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.246 3.366 -9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.531 3.067 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.430 4.550 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.417 4.654 -10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.539 2.291 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.440 3.885 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.022 3.220 -11.391 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.297 4.876 -7.101 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.844 5.103 -5.730 1.00 0.00 C ATOM 1739 C GLU A 113 -7.706 5.323 -4.734 1.00 0.00 C ATOM 1740 O GLU A 113 -7.583 6.383 -4.153 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.619 3.828 -5.387 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.982 4.203 -4.796 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.089 3.833 -5.785 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.021 2.748 -6.339 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.986 4.639 -5.971 1.00 0.00 O ATOM 0 H GLU A 113 -8.703 4.090 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 113 -9.480 5.987 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.753 3.219 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.054 3.227 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.136 3.682 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.015 5.271 -4.580 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.882 4.328 -4.535 1.00 0.00 N ATOM 1753 CA ALA A 114 -5.746 4.457 -3.571 1.00 0.00 C ATOM 1754 C ALA A 114 -5.172 5.878 -3.570 1.00 0.00 C ATOM 1755 O ALA A 114 -4.676 6.352 -2.567 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.694 3.464 -4.066 1.00 0.00 C ATOM 0 H ALA A 114 -6.947 3.424 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.066 4.255 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.825 3.498 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.113 2.458 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.393 3.728 -5.080 1.00 0.00 H new ATOM 1762 N VAL A 115 -5.225 6.560 -4.680 1.00 0.00 N ATOM 1763 CA VAL A 115 -4.667 7.944 -4.720 1.00 0.00 C ATOM 1764 C VAL A 115 -5.783 8.995 -4.636 1.00 0.00 C ATOM 1765 O VAL A 115 -5.565 10.106 -4.195 1.00 0.00 O ATOM 1766 CB VAL A 115 -3.947 8.041 -6.066 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.049 9.279 -6.076 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.091 6.789 -6.282 1.00 0.00 C ATOM 0 H VAL A 115 -5.627 6.224 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.002 8.133 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.684 8.119 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.536 9.348 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.657 10.171 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.313 9.201 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.579 6.860 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.355 6.709 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.730 5.906 -6.276 1.00 0.00 H new ATOM 1778 N LEU A 116 -6.970 8.663 -5.067 1.00 0.00 N ATOM 1779 CA LEU A 116 -8.084 9.659 -5.024 1.00 0.00 C ATOM 1780 C LEU A 116 -8.930 9.498 -3.744 1.00 0.00 C ATOM 1781 O LEU A 116 -9.805 10.295 -3.469 1.00 0.00 O ATOM 1782 CB LEU A 116 -8.894 9.400 -6.307 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.104 8.506 -6.028 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -11.299 9.375 -5.631 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -10.450 7.715 -7.295 1.00 0.00 C ATOM 0 H LEU A 116 -7.218 7.749 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.723 10.687 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.229 10.349 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.255 8.929 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.870 7.817 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.161 8.739 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.053 9.944 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.535 10.062 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.312 7.076 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.686 8.407 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.599 7.098 -7.583 1.00 0.00 H new ATOM 1797 N VAL A 117 -8.670 8.483 -2.961 1.00 0.00 N ATOM 1798 CA VAL A 117 -9.460 8.283 -1.700 1.00 0.00 C ATOM 1799 C VAL A 117 -8.975 9.251 -0.609 1.00 0.00 C ATOM 1800 O VAL A 117 -9.692 10.140 -0.224 1.00 0.00 O ATOM 1801 CB VAL A 117 -9.248 6.811 -1.268 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -7.795 6.364 -1.498 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -9.568 6.671 0.222 1.00 0.00 C ATOM 0 H VAL A 117 -7.948 7.784 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.519 8.486 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.908 6.185 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -7.680 5.326 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.550 6.453 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.124 6.996 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.420 5.636 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.908 7.319 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.604 6.958 0.400 1.00 0.00 H new ATOM 1813 N GLN A 118 -7.762 9.068 -0.134 1.00 0.00 N ATOM 1814 CA GLN A 118 -7.152 9.942 0.927 1.00 0.00 C ATOM 1815 C GLN A 118 -8.159 10.825 1.676 1.00 0.00 C ATOM 1816 O GLN A 118 -8.383 10.653 2.858 1.00 0.00 O ATOM 1817 CB GLN A 118 -6.152 10.810 0.168 1.00 0.00 C ATOM 1818 CG GLN A 118 -4.762 10.176 0.259 1.00 0.00 C ATOM 1819 CD GLN A 118 -3.756 11.050 -0.490 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -2.654 11.264 -0.026 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -4.093 11.567 -1.638 1.00 0.00 N ATOM 0 H GLN A 118 -7.146 8.319 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 118 -6.707 9.326 1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.454 10.905 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -6.134 11.816 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.465 10.073 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.779 9.173 -0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.019 11.387 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.431 12.152 -2.148 1.00 0.00 H new