USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 65 LYS NZ :NH3+ 149:sc= 0.197 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 24:sc= 0.949 USER MOD Set 2.1: A 55 HIS : no HD1:sc= -0.576 K(o=-0.32,f=-2.7!) USER MOD Set 2.2: A 69 SER OG : rot 84:sc= 0.255 USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.711 (180deg=0.389) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -43:sc= 0.00573 USER MOD Single : A 45 THR OG1 : rot 37:sc= 0.635 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -76:sc= 1.23 USER MOD Single : A 57 THR OG1 : rot 101:sc= 0.285 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 0.167 (180deg=0.00274) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0.275 (180deg=0.256) USER MOD Single : A 95 THR OG1 : rot -72:sc= 0.129 USER MOD Single : A 96 MET CE :methyl -153:sc= -0.268 (180deg=-1.64!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 89:sc= -6.29! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -21:sc= -1.08 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 167:sc= 0.312 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 106:sc= 0.00539 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.6) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -2.255 11.552 7.764 1.00 0.00 N ATOM 149 CA GLY A 31 -1.302 11.420 6.646 1.00 0.00 C ATOM 150 C GLY A 31 -1.471 10.304 5.628 1.00 0.00 C ATOM 151 O GLY A 31 -0.856 10.420 4.567 1.00 0.00 O ATOM 0 HA2 GLY A 31 -1.313 12.362 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.307 11.315 7.079 1.00 0.00 H new ATOM 155 N VAL A 32 -2.220 9.227 5.926 1.00 0.00 N ATOM 156 CA VAL A 32 -2.228 8.042 4.965 1.00 0.00 C ATOM 157 C VAL A 32 -3.530 7.216 4.796 1.00 0.00 C ATOM 158 O VAL A 32 -4.249 6.923 5.748 1.00 0.00 O ATOM 159 CB VAL A 32 -1.082 6.968 5.224 1.00 0.00 C ATOM 160 CG1 VAL A 32 -0.806 5.976 4.057 1.00 0.00 C ATOM 161 CG2 VAL A 32 0.258 7.582 5.522 1.00 0.00 C ATOM 0 H VAL A 32 -2.800 9.125 6.758 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.075 8.617 4.052 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.499 6.435 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.008 5.291 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.711 5.408 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.506 6.533 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.991 6.793 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.572 8.197 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.184 8.202 6.416 1.00 0.00 H new ATOM 171 N LEU A 33 -3.800 6.812 3.543 1.00 0.00 N ATOM 172 CA LEU A 33 -4.850 5.814 3.218 1.00 0.00 C ATOM 173 C LEU A 33 -4.526 5.114 1.851 1.00 0.00 C ATOM 174 O LEU A 33 -3.347 4.849 1.547 1.00 0.00 O ATOM 175 CB LEU A 33 -6.342 6.112 3.614 1.00 0.00 C ATOM 176 CG LEU A 33 -7.183 4.850 3.981 1.00 0.00 C ATOM 177 CD1 LEU A 33 -6.807 4.242 5.347 1.00 0.00 C ATOM 178 CD2 LEU A 33 -8.687 5.157 3.976 1.00 0.00 C ATOM 0 H LEU A 33 -3.302 7.163 2.725 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.783 5.030 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.349 6.796 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.828 6.627 2.785 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.948 4.117 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.429 3.368 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.758 3.945 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.967 4.982 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.243 4.256 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.901 5.939 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.986 5.495 2.984 1.00 0.00 H new ATOM 190 N LYS A 34 -5.535 4.804 1.021 1.00 0.00 N ATOM 191 CA LYS A 34 -5.318 3.958 -0.176 1.00 0.00 C ATOM 192 C LYS A 34 -6.323 4.197 -1.340 1.00 0.00 C ATOM 193 O LYS A 34 -7.426 4.727 -1.182 1.00 0.00 O ATOM 194 CB LYS A 34 -5.337 2.459 0.294 1.00 0.00 C ATOM 195 CG LYS A 34 -6.703 1.900 0.776 1.00 0.00 C ATOM 196 CD LYS A 34 -6.649 0.444 1.266 1.00 0.00 C ATOM 197 CE LYS A 34 -8.037 -0.053 1.700 1.00 0.00 C ATOM 198 NZ LYS A 34 -7.986 -1.496 1.997 1.00 0.00 N ATOM 0 H LYS A 34 -6.497 5.118 1.149 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.355 4.233 -0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.987 1.839 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.617 2.347 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.076 2.530 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.421 1.970 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.264 -0.195 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.955 0.365 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.370 0.496 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.764 0.139 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.929 -1.913 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.306 -1.958 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.688 -1.637 2.983 1.00 0.00 H new ATOM 211 N VAL A 35 -5.908 3.712 -2.510 1.00 0.00 N ATOM 212 CA VAL A 35 -6.735 3.749 -3.758 1.00 0.00 C ATOM 213 C VAL A 35 -7.217 2.292 -4.045 1.00 0.00 C ATOM 214 O VAL A 35 -6.408 1.479 -4.503 1.00 0.00 O ATOM 215 CB VAL A 35 -5.953 4.340 -4.986 1.00 0.00 C ATOM 216 CG1 VAL A 35 -6.850 4.536 -6.232 1.00 0.00 C ATOM 217 CG2 VAL A 35 -5.237 5.678 -4.732 1.00 0.00 C ATOM 0 H VAL A 35 -4.994 3.279 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.584 4.416 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.197 3.574 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.255 4.947 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.267 3.576 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.661 5.224 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.729 5.997 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.968 6.432 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.506 5.554 -3.933 1.00 0.00 H new ATOM 227 N ILE A 36 -8.495 1.929 -3.797 1.00 0.00 N ATOM 228 CA ILE A 36 -8.967 0.530 -4.091 1.00 0.00 C ATOM 229 C ILE A 36 -9.218 0.291 -5.615 1.00 0.00 C ATOM 230 O ILE A 36 -10.046 0.948 -6.249 1.00 0.00 O ATOM 231 CB ILE A 36 -10.089 -0.076 -3.140 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.465 -0.791 -1.904 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.103 -1.082 -3.770 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.606 -2.043 -2.218 1.00 0.00 C ATOM 0 H ILE A 36 -9.206 2.549 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.111 -0.083 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.655 0.819 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.846 -0.073 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.271 -1.085 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.809 -1.413 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.646 -0.593 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.564 -1.944 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.221 -2.462 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.220 -2.788 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.773 -1.761 -2.861 1.00 0.00 H new ATOM 246 N LYS A 37 -8.482 -0.686 -6.157 1.00 0.00 N ATOM 247 CA LYS A 37 -8.661 -1.179 -7.544 1.00 0.00 C ATOM 248 C LYS A 37 -9.597 -2.436 -7.535 1.00 0.00 C ATOM 249 O LYS A 37 -10.598 -2.482 -8.253 1.00 0.00 O ATOM 250 CB LYS A 37 -7.237 -1.405 -8.120 1.00 0.00 C ATOM 251 CG LYS A 37 -7.162 -2.035 -9.525 1.00 0.00 C ATOM 252 CD LYS A 37 -7.814 -1.192 -10.639 1.00 0.00 C ATOM 253 CE LYS A 37 -7.495 -1.736 -12.037 1.00 0.00 C ATOM 254 NZ LYS A 37 -8.103 -0.852 -13.051 1.00 0.00 N ATOM 0 H LYS A 37 -7.738 -1.165 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.168 -0.471 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.722 -0.445 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.685 -2.042 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.115 -2.202 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.644 -3.012 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.894 -1.175 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.466 -0.162 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.416 -1.788 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.881 -2.750 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.890 -1.216 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.134 -0.824 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.714 0.108 -12.953 1.00 0.00 H new ATOM 267 N ARG A 38 -9.258 -3.452 -6.724 1.00 0.00 N ATOM 268 CA ARG A 38 -10.072 -4.677 -6.553 1.00 0.00 C ATOM 269 C ARG A 38 -9.801 -5.122 -5.073 1.00 0.00 C ATOM 270 O ARG A 38 -8.684 -5.589 -4.831 1.00 0.00 O ATOM 271 CB ARG A 38 -9.623 -5.728 -7.613 1.00 0.00 C ATOM 272 CG ARG A 38 -10.446 -7.040 -7.655 1.00 0.00 C ATOM 273 CD ARG A 38 -11.848 -6.880 -8.264 1.00 0.00 C ATOM 274 NE ARG A 38 -12.508 -8.209 -8.269 1.00 0.00 N ATOM 275 CZ ARG A 38 -13.729 -8.463 -8.716 1.00 0.00 C ATOM 276 NH1 ARG A 38 -14.526 -7.570 -9.224 1.00 0.00 N ATOM 277 NH2 ARG A 38 -14.146 -9.677 -8.637 1.00 0.00 N ATOM 0 H ARG A 38 -8.406 -3.451 -6.163 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.142 -4.539 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.666 -5.263 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.580 -5.982 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.895 -7.784 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.544 -7.428 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.435 -6.167 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.779 -6.487 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.976 -8.995 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.223 -6.599 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.455 -7.841 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.543 -10.399 -8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.080 -9.918 -8.969 1.00 0.00 H new ATOM 290 N GLU A 39 -10.684 -4.937 -4.053 1.00 0.00 N ATOM 291 CA GLU A 39 -10.368 -5.430 -2.672 1.00 0.00 C ATOM 292 C GLU A 39 -10.546 -6.989 -2.480 1.00 0.00 C ATOM 293 O GLU A 39 -11.145 -7.679 -3.309 1.00 0.00 O ATOM 294 CB GLU A 39 -11.034 -4.602 -1.546 1.00 0.00 C ATOM 295 CG GLU A 39 -12.560 -4.679 -1.319 1.00 0.00 C ATOM 296 CD GLU A 39 -13.018 -3.811 -0.142 1.00 0.00 C ATOM 297 OE1 GLU A 39 -12.461 -2.773 0.202 1.00 0.00 O ATOM 298 OE2 GLU A 39 -14.114 -4.313 0.484 1.00 0.00 O ATOM 0 H GLU A 39 -11.586 -4.470 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.297 -5.256 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.554 -4.886 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.787 -3.556 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.076 -4.361 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.846 -5.715 -1.136 1.00 0.00 H new ATOM 306 N GLY A 40 -10.013 -7.550 -1.376 1.00 0.00 N ATOM 307 CA GLY A 40 -10.041 -9.009 -1.113 1.00 0.00 C ATOM 308 C GLY A 40 -11.195 -9.579 -0.265 1.00 0.00 C ATOM 309 O GLY A 40 -12.268 -8.980 -0.149 1.00 0.00 O ATOM 0 H GLY A 40 -9.552 -7.010 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.053 -9.520 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.105 -9.276 -0.622 1.00 0.00 H new ATOM 313 N THR A 41 -10.964 -10.769 0.314 1.00 0.00 N ATOM 314 CA THR A 41 -11.994 -11.470 1.144 1.00 0.00 C ATOM 315 C THR A 41 -11.342 -12.415 2.207 1.00 0.00 C ATOM 316 O THR A 41 -11.256 -12.021 3.372 1.00 0.00 O ATOM 317 CB THR A 41 -13.168 -12.072 0.286 1.00 0.00 C ATOM 318 OG1 THR A 41 -14.066 -12.809 1.107 1.00 0.00 O ATOM 319 CG2 THR A 41 -12.832 -12.980 -0.910 1.00 0.00 C ATOM 0 H THR A 41 -10.082 -11.275 0.231 1.00 0.00 H new ATOM 0 HA THR A 41 -12.510 -10.724 1.749 1.00 0.00 H new ATOM 0 HB THR A 41 -13.585 -11.163 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.789 -13.174 0.555 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.755 -13.307 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.227 -12.427 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.276 -13.850 -0.561 1.00 0.00 H new ATOM 327 N GLY A 42 -10.864 -13.611 1.801 1.00 0.00 N ATOM 328 CA GLY A 42 -10.232 -14.663 2.668 1.00 0.00 C ATOM 329 C GLY A 42 -10.328 -14.633 4.214 1.00 0.00 C ATOM 330 O GLY A 42 -11.176 -15.287 4.819 1.00 0.00 O ATOM 0 H GLY A 42 -10.903 -13.894 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.644 -15.620 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.170 -14.675 2.421 1.00 0.00 H new ATOM 334 N THR A 43 -9.404 -13.892 4.823 1.00 0.00 N ATOM 335 CA THR A 43 -9.360 -13.674 6.302 1.00 0.00 C ATOM 336 C THR A 43 -8.883 -12.215 6.648 1.00 0.00 C ATOM 337 O THR A 43 -7.853 -12.005 7.293 1.00 0.00 O ATOM 338 CB THR A 43 -8.610 -14.808 7.068 1.00 0.00 C ATOM 339 OG1 THR A 43 -8.452 -14.745 8.476 1.00 0.00 O ATOM 340 CG2 THR A 43 -7.161 -15.097 6.609 1.00 0.00 C ATOM 0 H THR A 43 -8.655 -13.417 4.320 1.00 0.00 H new ATOM 0 HA THR A 43 -10.380 -13.748 6.678 1.00 0.00 H new ATOM 0 HB THR A 43 -9.346 -15.566 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.202 -13.834 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.742 -15.902 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.164 -15.393 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.555 -14.199 6.731 1.00 0.00 H new ATOM 348 N GLU A 44 -9.656 -11.218 6.171 1.00 0.00 N ATOM 349 CA GLU A 44 -9.465 -9.751 6.393 1.00 0.00 C ATOM 350 C GLU A 44 -8.018 -9.160 6.653 1.00 0.00 C ATOM 351 O GLU A 44 -7.176 -9.199 5.749 1.00 0.00 O ATOM 352 CB GLU A 44 -10.638 -9.252 7.304 1.00 0.00 C ATOM 353 CG GLU A 44 -10.847 -10.022 8.638 1.00 0.00 C ATOM 354 CD GLU A 44 -11.678 -9.322 9.709 1.00 0.00 C ATOM 355 OE1 GLU A 44 -11.492 -8.171 10.085 1.00 0.00 O ATOM 356 OE2 GLU A 44 -12.636 -10.137 10.228 1.00 0.00 O ATOM 0 H GLU A 44 -10.472 -11.412 5.591 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.525 -9.277 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.467 -8.201 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.563 -9.304 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.321 -10.977 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.867 -10.245 9.059 1.00 0.00 H new ATOM 364 N THR A 45 -7.748 -8.606 7.847 1.00 0.00 N ATOM 365 CA THR A 45 -6.455 -7.958 8.210 1.00 0.00 C ATOM 366 C THR A 45 -5.990 -8.308 9.674 1.00 0.00 C ATOM 367 O THR A 45 -6.711 -7.971 10.623 1.00 0.00 O ATOM 368 CB THR A 45 -6.481 -6.403 8.158 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.446 -5.854 9.054 1.00 0.00 O ATOM 370 CG2 THR A 45 -6.770 -5.795 6.787 1.00 0.00 C ATOM 0 H THR A 45 -8.428 -8.590 8.607 1.00 0.00 H new ATOM 0 HA THR A 45 -5.775 -8.354 7.456 1.00 0.00 H new ATOM 0 HB THR A 45 -5.461 -6.143 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.471 -6.388 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.765 -4.708 6.863 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.004 -6.113 6.079 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.747 -6.130 6.439 1.00 0.00 H new ATOM 378 N PRO A 46 -4.795 -8.912 9.901 1.00 0.00 N ATOM 379 CA PRO A 46 -4.230 -9.098 11.263 1.00 0.00 C ATOM 380 C PRO A 46 -3.750 -7.774 11.967 1.00 0.00 C ATOM 381 O PRO A 46 -4.585 -6.917 12.268 1.00 0.00 O ATOM 382 CB PRO A 46 -3.143 -10.151 10.973 1.00 0.00 C ATOM 383 CG PRO A 46 -3.700 -11.005 9.856 1.00 0.00 C ATOM 384 CD PRO A 46 -4.259 -9.909 8.967 1.00 0.00 C ATOM 0 HA PRO A 46 -4.950 -9.421 12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.207 -9.678 10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.931 -10.751 11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.933 -11.599 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.467 -11.699 10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.484 -9.480 8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.037 -10.292 8.307 1.00 0.00 H new ATOM 392 N MET A 47 -2.440 -7.573 12.236 1.00 0.00 N ATOM 393 CA MET A 47 -1.941 -6.403 13.031 1.00 0.00 C ATOM 394 C MET A 47 -0.370 -6.211 13.034 1.00 0.00 C ATOM 395 O MET A 47 0.410 -6.966 12.430 1.00 0.00 O ATOM 396 CB MET A 47 -2.491 -6.544 14.499 1.00 0.00 C ATOM 397 CG MET A 47 -2.157 -7.886 15.187 1.00 0.00 C ATOM 398 SD MET A 47 -2.394 -7.770 16.970 1.00 0.00 S ATOM 399 CE MET A 47 -0.813 -7.063 17.452 1.00 0.00 C ATOM 0 H MET A 47 -1.701 -8.200 11.919 1.00 0.00 H new ATOM 0 HA MET A 47 -2.315 -5.502 12.544 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.088 -5.731 15.103 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.574 -6.420 14.480 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.791 -8.675 14.782 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.125 -8.164 14.970 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.791 -6.925 18.533 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.008 -7.736 17.156 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.680 -6.099 16.960 1.00 0.00 H new ATOM 409 N ILE A 48 0.099 -5.154 13.749 1.00 0.00 N ATOM 410 CA ILE A 48 1.551 -4.837 13.947 1.00 0.00 C ATOM 411 C ILE A 48 2.353 -6.107 14.449 1.00 0.00 C ATOM 412 O ILE A 48 1.824 -6.933 15.204 1.00 0.00 O ATOM 413 CB ILE A 48 1.692 -3.542 14.854 1.00 0.00 C ATOM 414 CG1 ILE A 48 2.750 -2.484 14.418 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.976 -3.846 16.347 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.587 -1.912 13.002 1.00 0.00 C ATOM 0 H ILE A 48 -0.521 -4.488 14.211 1.00 0.00 H new ATOM 0 HA ILE A 48 2.021 -4.588 12.995 1.00 0.00 H new ATOM 0 HB ILE A 48 0.700 -3.115 14.710 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.722 -1.657 15.128 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.739 -2.936 14.494 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.059 -2.910 16.900 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.160 -4.440 16.759 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.909 -4.402 16.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.378 -1.187 12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.650 -2.720 12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.617 -1.422 12.917 1.00 0.00 H new ATOM 428 N GLY A 49 3.601 -6.272 14.014 1.00 0.00 N ATOM 429 CA GLY A 49 4.391 -7.497 14.339 1.00 0.00 C ATOM 430 C GLY A 49 4.205 -8.727 13.406 1.00 0.00 C ATOM 431 O GLY A 49 4.990 -9.668 13.512 1.00 0.00 O ATOM 0 H GLY A 49 4.098 -5.591 13.440 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.447 -7.228 14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.140 -7.802 15.355 1.00 0.00 H new ATOM 435 N ASP A 50 3.221 -8.775 12.478 1.00 0.00 N ATOM 436 CA ASP A 50 2.981 -9.983 11.647 1.00 0.00 C ATOM 437 C ASP A 50 3.869 -10.036 10.357 1.00 0.00 C ATOM 438 O ASP A 50 4.228 -9.001 9.785 1.00 0.00 O ATOM 439 CB ASP A 50 1.448 -10.002 11.402 1.00 0.00 C ATOM 440 CG ASP A 50 0.543 -10.273 12.618 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.621 -9.908 12.672 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.152 -10.970 13.618 1.00 0.00 O ATOM 0 H ASP A 50 2.585 -8.001 12.285 1.00 0.00 H new ATOM 0 HA ASP A 50 3.290 -10.899 12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.162 -9.040 10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.236 -10.760 10.648 1.00 0.00 H new ATOM 448 N ARG A 51 4.231 -11.250 9.891 1.00 0.00 N ATOM 449 CA ARG A 51 5.094 -11.414 8.679 1.00 0.00 C ATOM 450 C ARG A 51 4.231 -11.248 7.404 1.00 0.00 C ATOM 451 O ARG A 51 3.177 -11.865 7.293 1.00 0.00 O ATOM 452 CB ARG A 51 5.837 -12.774 8.784 1.00 0.00 C ATOM 453 CG ARG A 51 6.955 -13.033 7.742 1.00 0.00 C ATOM 454 CD ARG A 51 8.208 -12.156 7.934 1.00 0.00 C ATOM 455 NE ARG A 51 9.284 -12.583 7.001 1.00 0.00 N ATOM 456 CZ ARG A 51 9.518 -12.080 5.794 1.00 0.00 C ATOM 457 NH1 ARG A 51 8.822 -11.136 5.245 1.00 0.00 N ATOM 458 NH2 ARG A 51 10.499 -12.568 5.123 1.00 0.00 N ATOM 0 H ARG A 51 3.948 -12.129 10.324 1.00 0.00 H new ATOM 0 HA ARG A 51 5.862 -10.643 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.275 -12.848 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.100 -13.573 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.247 -14.082 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.553 -12.861 6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.958 -11.110 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.559 -12.231 8.963 1.00 0.00 H new ATOM 0 HE ARG A 51 9.900 -13.332 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.033 -10.727 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.063 -10.801 4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.067 -13.316 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.710 -12.208 4.192 1.00 0.00 H new ATOM 471 N VAL A 52 4.676 -10.418 6.459 1.00 0.00 N ATOM 472 CA VAL A 52 3.878 -9.973 5.302 1.00 0.00 C ATOM 473 C VAL A 52 4.656 -10.217 3.966 1.00 0.00 C ATOM 474 O VAL A 52 5.872 -10.016 3.883 1.00 0.00 O ATOM 475 CB VAL A 52 3.723 -8.440 5.683 1.00 0.00 C ATOM 476 CG1 VAL A 52 3.556 -7.474 4.517 1.00 0.00 C ATOM 477 CG2 VAL A 52 2.614 -8.172 6.725 1.00 0.00 C ATOM 0 H VAL A 52 5.618 -10.026 6.471 1.00 0.00 H new ATOM 0 HA VAL A 52 2.931 -10.484 5.130 1.00 0.00 H new ATOM 0 HB VAL A 52 4.697 -8.229 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.459 -6.457 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.427 -7.536 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.661 -7.736 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.565 -7.104 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.655 -8.508 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.839 -8.715 7.643 1.00 0.00 H new ATOM 487 N PHE A 53 3.934 -10.542 2.884 1.00 0.00 N ATOM 488 CA PHE A 53 4.515 -10.763 1.552 1.00 0.00 C ATOM 489 C PHE A 53 3.645 -10.009 0.502 1.00 0.00 C ATOM 490 O PHE A 53 2.452 -10.270 0.307 1.00 0.00 O ATOM 491 CB PHE A 53 4.778 -12.264 1.396 1.00 0.00 C ATOM 492 CG PHE A 53 3.714 -13.351 1.496 1.00 0.00 C ATOM 493 CD1 PHE A 53 3.403 -13.909 2.741 1.00 0.00 C ATOM 494 CD2 PHE A 53 3.292 -13.980 0.330 1.00 0.00 C ATOM 495 CE1 PHE A 53 2.690 -15.103 2.809 1.00 0.00 C ATOM 496 CE2 PHE A 53 2.560 -15.163 0.396 1.00 0.00 C ATOM 497 CZ PHE A 53 2.275 -15.733 1.635 1.00 0.00 C ATOM 0 H PHE A 53 2.921 -10.660 2.909 1.00 0.00 H new ATOM 0 HA PHE A 53 5.501 -10.327 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.241 -12.387 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.534 -12.515 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.716 -13.414 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.533 -13.549 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.459 -15.541 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.214 -15.637 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.731 -16.665 1.687 1.00 0.00 H new ATOM 507 N VAL A 54 4.284 -9.013 -0.121 1.00 0.00 N ATOM 508 CA VAL A 54 3.632 -8.062 -1.044 1.00 0.00 C ATOM 509 C VAL A 54 4.269 -8.044 -2.480 1.00 0.00 C ATOM 510 O VAL A 54 5.202 -8.769 -2.831 1.00 0.00 O ATOM 511 CB VAL A 54 3.603 -6.657 -0.287 1.00 0.00 C ATOM 512 CG1 VAL A 54 4.719 -5.648 -0.633 1.00 0.00 C ATOM 513 CG2 VAL A 54 2.176 -6.204 -0.014 1.00 0.00 C ATOM 0 H VAL A 54 5.282 -8.838 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 54 2.611 -8.367 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 54 3.986 -6.795 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.581 -4.738 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.690 -6.085 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.676 -5.408 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.191 -5.244 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.641 -6.100 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.673 -6.943 0.609 1.00 0.00 H new ATOM 523 N HIS A 55 3.691 -7.192 -3.318 1.00 0.00 N ATOM 524 CA HIS A 55 4.233 -6.885 -4.695 1.00 0.00 C ATOM 525 C HIS A 55 4.106 -5.355 -4.945 1.00 0.00 C ATOM 526 O HIS A 55 2.969 -4.884 -5.025 1.00 0.00 O ATOM 527 CB HIS A 55 3.611 -7.729 -5.850 1.00 0.00 C ATOM 528 CG HIS A 55 4.499 -8.220 -6.993 1.00 0.00 C ATOM 529 ND1 HIS A 55 5.871 -8.078 -7.102 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.012 -9.046 -8.017 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.105 -8.901 -8.177 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.054 -9.529 -8.789 1.00 0.00 N ATOM 0 H HIS A 55 2.837 -6.682 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 55 5.281 -7.184 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.147 -8.606 -5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.810 -7.136 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.969 -9.273 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.112 -9.052 -8.537 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.042 -10.168 -9.584 1.00 0.00 H new ATOM 540 N TYR A 56 5.205 -4.573 -5.071 1.00 0.00 N ATOM 541 CA TYR A 56 5.081 -3.083 -5.225 1.00 0.00 C ATOM 542 C TYR A 56 5.564 -2.387 -6.560 1.00 0.00 C ATOM 543 O TYR A 56 6.546 -2.763 -7.204 1.00 0.00 O ATOM 544 CB TYR A 56 5.657 -2.284 -4.004 1.00 0.00 C ATOM 545 CG TYR A 56 7.158 -1.969 -3.975 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.629 -0.788 -4.557 1.00 0.00 C ATOM 547 CD2 TYR A 56 8.057 -2.844 -3.379 1.00 0.00 C ATOM 548 CE1 TYR A 56 8.978 -0.464 -4.500 1.00 0.00 C ATOM 549 CE2 TYR A 56 9.410 -2.515 -3.312 1.00 0.00 C ATOM 550 CZ TYR A 56 9.869 -1.327 -3.869 1.00 0.00 C ATOM 551 OH TYR A 56 11.200 -1.028 -3.815 1.00 0.00 O ATOM 0 H TYR A 56 6.163 -4.924 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 56 3.994 -3.023 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.119 -1.338 -3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.419 -2.844 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.939 -0.123 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.708 -3.779 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.334 0.454 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.104 -3.185 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 56 11.609 -1.198 -4.689 1.00 0.00 H new ATOM 561 N THR A 57 4.880 -1.275 -6.859 1.00 0.00 N ATOM 562 CA THR A 57 5.322 -0.216 -7.829 1.00 0.00 C ATOM 563 C THR A 57 5.354 1.112 -6.994 1.00 0.00 C ATOM 564 O THR A 57 4.544 1.286 -6.080 1.00 0.00 O ATOM 565 CB THR A 57 4.461 -0.009 -9.114 1.00 0.00 C ATOM 566 OG1 THR A 57 4.254 -1.244 -9.786 1.00 0.00 O ATOM 567 CG2 THR A 57 5.130 0.959 -10.112 1.00 0.00 C ATOM 0 H THR A 57 3.978 -1.064 -6.432 1.00 0.00 H new ATOM 0 HA THR A 57 6.280 -0.534 -8.240 1.00 0.00 H new ATOM 0 HB THR A 57 3.513 0.413 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.355 -1.579 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.495 1.072 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.271 1.930 -9.638 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.098 0.559 -10.414 1.00 0.00 H new ATOM 575 N GLY A 58 6.252 2.070 -7.260 1.00 0.00 N ATOM 576 CA GLY A 58 6.280 3.341 -6.497 1.00 0.00 C ATOM 577 C GLY A 58 6.851 4.587 -7.218 1.00 0.00 C ATOM 578 O GLY A 58 7.798 4.544 -8.004 1.00 0.00 O ATOM 0 H GLY A 58 6.964 1.998 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.261 3.569 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.863 3.178 -5.591 1.00 0.00 H new ATOM 582 N TRP A 59 6.199 5.706 -6.903 1.00 0.00 N ATOM 583 CA TRP A 59 6.397 7.035 -7.501 1.00 0.00 C ATOM 584 C TRP A 59 6.484 8.205 -6.482 1.00 0.00 C ATOM 585 O TRP A 59 5.944 8.157 -5.374 1.00 0.00 O ATOM 586 CB TRP A 59 5.199 7.422 -8.443 1.00 0.00 C ATOM 587 CG TRP A 59 4.627 6.365 -9.409 1.00 0.00 C ATOM 588 CD1 TRP A 59 4.955 6.418 -10.760 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.810 5.240 -9.272 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.491 5.307 -11.480 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.766 4.605 -10.542 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.066 4.687 -8.183 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.037 3.417 -10.714 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.246 3.589 -8.432 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.246 2.950 -9.672 1.00 0.00 C ATOM 0 H TRP A 59 5.476 5.714 -6.183 1.00 0.00 H new ATOM 0 HA TRP A 59 7.347 6.927 -8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.381 7.763 -7.809 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.516 8.276 -9.042 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.509 7.230 -11.208 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.651 5.075 -12.460 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.138 5.110 -7.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.091 2.873 -11.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.597 3.225 -7.649 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.623 2.081 -9.824 1.00 0.00 H new ATOM 606 N LEU A 60 7.157 9.293 -6.880 1.00 0.00 N ATOM 607 CA LEU A 60 7.031 10.580 -6.148 1.00 0.00 C ATOM 608 C LEU A 60 5.707 11.259 -6.652 1.00 0.00 C ATOM 609 O LEU A 60 5.172 10.987 -7.737 1.00 0.00 O ATOM 610 CB LEU A 60 8.245 11.519 -6.399 1.00 0.00 C ATOM 611 CG LEU A 60 8.609 12.558 -5.312 1.00 0.00 C ATOM 612 CD1 LEU A 60 8.935 11.925 -3.951 1.00 0.00 C ATOM 613 CD2 LEU A 60 9.814 13.387 -5.783 1.00 0.00 C ATOM 0 H LEU A 60 7.783 9.319 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 60 7.006 10.393 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.121 10.892 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.060 12.060 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 60 7.730 13.187 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.182 12.709 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.070 11.366 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.785 11.251 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.072 14.120 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.664 12.727 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.561 13.903 -6.709 1.00 0.00 H new ATOM 625 N LEU A 61 5.229 12.224 -5.881 1.00 0.00 N ATOM 626 CA LEU A 61 4.002 12.998 -6.215 1.00 0.00 C ATOM 627 C LEU A 61 4.063 13.832 -7.544 1.00 0.00 C ATOM 628 O LEU A 61 3.039 13.985 -8.211 1.00 0.00 O ATOM 629 CB LEU A 61 3.554 13.709 -4.906 1.00 0.00 C ATOM 630 CG LEU A 61 2.413 14.762 -4.869 1.00 0.00 C ATOM 631 CD1 LEU A 61 2.935 16.145 -5.282 1.00 0.00 C ATOM 632 CD2 LEU A 61 1.121 14.367 -5.599 1.00 0.00 C ATOM 0 H LEU A 61 5.666 12.506 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 61 3.192 12.338 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.273 12.922 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.440 14.197 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 61 2.096 14.808 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.119 16.867 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.723 16.456 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.335 16.095 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.392 15.173 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.338 14.188 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.714 13.459 -5.153 1.00 0.00 H new ATOM 644 N ASP A 62 5.243 14.307 -7.990 1.00 0.00 N ATOM 645 CA ASP A 62 5.381 14.932 -9.345 1.00 0.00 C ATOM 646 C ASP A 62 5.177 13.930 -10.573 1.00 0.00 C ATOM 647 O ASP A 62 5.220 14.364 -11.726 1.00 0.00 O ATOM 648 CB ASP A 62 6.775 15.618 -9.327 1.00 0.00 C ATOM 649 CG ASP A 62 7.036 16.568 -10.490 1.00 0.00 C ATOM 650 OD1 ASP A 62 6.579 17.703 -10.559 1.00 0.00 O ATOM 651 OD2 ASP A 62 7.836 16.016 -11.440 1.00 0.00 O ATOM 0 H ASP A 62 6.108 14.277 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 62 4.577 15.647 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.880 16.171 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.544 14.846 -9.328 1.00 0.00 H new ATOM 657 N GLY A 63 4.943 12.615 -10.349 1.00 0.00 N ATOM 658 CA GLY A 63 4.775 11.594 -11.436 1.00 0.00 C ATOM 659 C GLY A 63 6.102 11.031 -11.976 1.00 0.00 C ATOM 660 O GLY A 63 6.328 10.981 -13.184 1.00 0.00 O ATOM 0 H GLY A 63 4.864 12.222 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.170 10.770 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.221 12.043 -12.260 1.00 0.00 H new ATOM 664 N THR A 64 6.973 10.593 -11.061 1.00 0.00 N ATOM 665 CA THR A 64 8.312 10.051 -11.394 1.00 0.00 C ATOM 666 C THR A 64 8.441 8.677 -10.681 1.00 0.00 C ATOM 667 O THR A 64 8.434 8.615 -9.447 1.00 0.00 O ATOM 668 CB THR A 64 9.365 11.099 -10.932 1.00 0.00 C ATOM 669 OG1 THR A 64 9.209 12.316 -11.656 1.00 0.00 O ATOM 670 CG2 THR A 64 10.803 10.651 -11.177 1.00 0.00 C ATOM 0 H THR A 64 6.776 10.601 -10.060 1.00 0.00 H new ATOM 0 HA THR A 64 8.468 9.883 -12.460 1.00 0.00 H new ATOM 0 HB THR A 64 9.192 11.224 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.877 12.965 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.489 11.425 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.995 9.728 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.954 10.479 -12.243 1.00 0.00 H new ATOM 678 N LYS A 65 8.560 7.582 -11.447 1.00 0.00 N ATOM 679 CA LYS A 65 8.658 6.218 -10.863 1.00 0.00 C ATOM 680 C LYS A 65 10.113 5.944 -10.292 1.00 0.00 C ATOM 681 O LYS A 65 11.058 5.898 -11.087 1.00 0.00 O ATOM 682 CB LYS A 65 8.286 5.166 -11.939 1.00 0.00 C ATOM 683 CG LYS A 65 8.002 3.762 -11.343 1.00 0.00 C ATOM 684 CD LYS A 65 7.863 2.652 -12.403 1.00 0.00 C ATOM 685 CE LYS A 65 9.207 2.212 -13.005 1.00 0.00 C ATOM 686 NZ LYS A 65 9.003 1.014 -13.842 1.00 0.00 N ATOM 0 H LYS A 65 8.591 7.604 -12.466 1.00 0.00 H new ATOM 0 HA LYS A 65 7.958 6.142 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.406 5.508 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.099 5.090 -12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.808 3.499 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.086 3.806 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.375 1.788 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.212 3.004 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.631 3.019 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.920 1.996 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.692 1.013 -14.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.133 0.160 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.039 1.024 -14.233 1.00 0.00 H new ATOM 699 N PHE A 66 10.354 5.797 -8.969 1.00 0.00 N ATOM 700 CA PHE A 66 11.693 5.483 -8.415 1.00 0.00 C ATOM 701 C PHE A 66 12.013 3.956 -8.333 1.00 0.00 C ATOM 702 O PHE A 66 13.175 3.583 -8.516 1.00 0.00 O ATOM 703 CB PHE A 66 11.838 6.208 -7.050 1.00 0.00 C ATOM 704 CG PHE A 66 10.832 5.908 -5.919 1.00 0.00 C ATOM 705 CD1 PHE A 66 10.981 4.803 -5.071 1.00 0.00 C ATOM 706 CD2 PHE A 66 9.765 6.785 -5.719 1.00 0.00 C ATOM 707 CE1 PHE A 66 10.075 4.585 -4.032 1.00 0.00 C ATOM 708 CE2 PHE A 66 8.883 6.578 -4.668 1.00 0.00 C ATOM 709 CZ PHE A 66 9.036 5.493 -3.823 1.00 0.00 C ATOM 0 H PHE A 66 9.630 5.892 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 66 12.446 5.855 -9.110 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.835 5.988 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.801 7.280 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.801 4.116 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.626 7.625 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.177 3.720 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.070 7.270 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.351 5.349 -3.001 1.00 0.00 H new ATOM 719 N ASP A 67 11.037 3.079 -8.010 1.00 0.00 N ATOM 720 CA ASP A 67 11.292 1.614 -7.951 1.00 0.00 C ATOM 721 C ASP A 67 10.006 0.809 -8.271 1.00 0.00 C ATOM 722 O ASP A 67 8.867 1.260 -8.127 1.00 0.00 O ATOM 723 CB ASP A 67 11.955 1.192 -6.611 1.00 0.00 C ATOM 724 CG ASP A 67 12.722 -0.126 -6.644 1.00 0.00 C ATOM 725 OD1 ASP A 67 12.266 -1.189 -6.237 1.00 0.00 O ATOM 726 OD2 ASP A 67 13.958 0.006 -7.191 1.00 0.00 O ATOM 0 H ASP A 67 10.079 3.349 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 67 12.016 1.370 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.638 1.982 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.179 1.122 -5.848 1.00 0.00 H new ATOM 732 N SER A 68 10.232 -0.419 -8.730 1.00 0.00 N ATOM 733 CA SER A 68 9.139 -1.334 -9.130 1.00 0.00 C ATOM 734 C SER A 68 9.643 -2.802 -9.132 1.00 0.00 C ATOM 735 O SER A 68 10.379 -3.211 -10.041 1.00 0.00 O ATOM 736 CB SER A 68 8.583 -0.890 -10.511 1.00 0.00 C ATOM 737 OG SER A 68 9.539 -1.090 -11.552 1.00 0.00 O ATOM 0 H SER A 68 11.165 -0.816 -8.839 1.00 0.00 H new ATOM 0 HA SER A 68 8.321 -1.285 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.676 -1.451 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.304 0.163 -10.470 1.00 0.00 H new ATOM 0 HG SER A 68 10.169 -1.792 -11.287 1.00 0.00 H new ATOM 743 N SER A 69 9.260 -3.592 -8.120 1.00 0.00 N ATOM 744 CA SER A 69 9.635 -5.036 -8.040 1.00 0.00 C ATOM 745 C SER A 69 9.117 -5.930 -9.233 1.00 0.00 C ATOM 746 O SER A 69 9.845 -6.799 -9.718 1.00 0.00 O ATOM 747 CB SER A 69 9.264 -5.526 -6.619 1.00 0.00 C ATOM 748 OG SER A 69 7.858 -5.729 -6.437 1.00 0.00 O ATOM 0 H SER A 69 8.690 -3.268 -7.338 1.00 0.00 H new ATOM 0 HA SER A 69 10.710 -5.146 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.788 -6.460 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.616 -4.798 -5.888 1.00 0.00 H new ATOM 0 HG SER A 69 7.610 -6.617 -6.770 1.00 0.00 H new ATOM 754 N LEU A 70 7.898 -5.658 -9.741 1.00 0.00 N ATOM 755 CA LEU A 70 7.277 -6.318 -10.917 1.00 0.00 C ATOM 756 C LEU A 70 8.072 -6.274 -12.275 1.00 0.00 C ATOM 757 O LEU A 70 8.001 -7.217 -13.064 1.00 0.00 O ATOM 758 CB LEU A 70 5.885 -5.625 -11.095 1.00 0.00 C ATOM 759 CG LEU A 70 4.771 -5.991 -10.079 1.00 0.00 C ATOM 760 CD1 LEU A 70 4.815 -5.269 -8.729 1.00 0.00 C ATOM 761 CD2 LEU A 70 3.381 -5.655 -10.592 1.00 0.00 C ATOM 0 H LEU A 70 7.293 -4.947 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 70 7.237 -7.386 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.038 -4.547 -11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.519 -5.857 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 70 4.964 -7.056 -9.952 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.987 -5.609 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.758 -5.489 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.731 -4.194 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.640 -5.931 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.315 -4.585 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.189 -6.207 -11.512 1.00 0.00 H new ATOM 773 N ASP A 71 8.796 -5.179 -12.542 1.00 0.00 N ATOM 774 CA ASP A 71 9.570 -4.964 -13.794 1.00 0.00 C ATOM 775 C ASP A 71 10.852 -5.852 -13.952 1.00 0.00 C ATOM 776 O ASP A 71 10.965 -6.560 -14.955 1.00 0.00 O ATOM 777 CB ASP A 71 9.886 -3.442 -13.897 1.00 0.00 C ATOM 778 CG ASP A 71 8.688 -2.558 -14.257 1.00 0.00 C ATOM 779 OD1 ASP A 71 7.706 -2.407 -13.539 1.00 0.00 O ATOM 780 OD2 ASP A 71 8.842 -1.937 -15.456 1.00 0.00 O ATOM 0 H ASP A 71 8.868 -4.398 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 71 8.951 -5.293 -14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.294 -3.105 -12.944 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.664 -3.297 -14.646 1.00 0.00 H new ATOM 786 N ARG A 72 11.830 -5.789 -13.024 1.00 0.00 N ATOM 787 CA ARG A 72 13.080 -6.598 -13.119 1.00 0.00 C ATOM 788 C ARG A 72 13.799 -6.785 -11.737 1.00 0.00 C ATOM 789 O ARG A 72 14.880 -6.236 -11.502 1.00 0.00 O ATOM 790 CB ARG A 72 14.008 -5.981 -14.219 1.00 0.00 C ATOM 791 CG ARG A 72 15.227 -6.839 -14.640 1.00 0.00 C ATOM 792 CD ARG A 72 16.132 -6.101 -15.639 1.00 0.00 C ATOM 793 NE ARG A 72 17.292 -6.970 -15.964 1.00 0.00 N ATOM 794 CZ ARG A 72 18.363 -6.599 -16.654 1.00 0.00 C ATOM 795 NH1 ARG A 72 18.542 -5.412 -17.153 1.00 0.00 N ATOM 796 NH2 ARG A 72 19.282 -7.479 -16.835 1.00 0.00 N ATOM 0 H ARG A 72 11.786 -5.190 -12.200 1.00 0.00 H new ATOM 0 HA ARG A 72 12.816 -7.612 -13.419 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.405 -5.783 -15.105 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.373 -5.019 -13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.805 -7.106 -13.756 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.878 -7.770 -15.086 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.576 -5.859 -16.545 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.474 -5.158 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 72 17.263 -7.933 -15.629 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.831 -4.692 -17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.394 -5.201 -17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.170 -8.419 -16.454 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.123 -7.238 -17.360 1.00 0.00 H new ATOM 809 N LYS A 73 13.220 -7.567 -10.803 1.00 0.00 N ATOM 810 CA LYS A 73 13.847 -7.871 -9.503 1.00 0.00 C ATOM 811 C LYS A 73 13.267 -9.230 -8.979 1.00 0.00 C ATOM 812 O LYS A 73 13.871 -10.293 -9.127 1.00 0.00 O ATOM 813 CB LYS A 73 13.704 -6.630 -8.554 1.00 0.00 C ATOM 814 CG LYS A 73 14.321 -6.746 -7.138 1.00 0.00 C ATOM 815 CD LYS A 73 13.811 -5.626 -6.208 1.00 0.00 C ATOM 816 CE LYS A 73 14.327 -5.778 -4.770 1.00 0.00 C ATOM 817 NZ LYS A 73 13.771 -4.704 -3.924 1.00 0.00 N ATOM 0 H LYS A 73 12.307 -8.004 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 73 14.923 -8.029 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.157 -5.772 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.642 -6.411 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.073 -7.717 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.408 -6.696 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.124 -4.659 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.721 -5.631 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.041 -6.752 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.416 -5.736 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.123 -4.811 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.065 -3.779 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.733 -4.764 -3.925 1.00 0.00 H new ATOM 830 N ASP A 74 12.081 -9.158 -8.360 1.00 0.00 N ATOM 831 CA ASP A 74 11.356 -10.258 -7.665 1.00 0.00 C ATOM 832 C ASP A 74 10.006 -9.679 -7.089 1.00 0.00 C ATOM 833 O ASP A 74 9.458 -8.674 -7.551 1.00 0.00 O ATOM 834 CB ASP A 74 12.298 -10.737 -6.505 1.00 0.00 C ATOM 835 CG ASP A 74 12.375 -12.246 -6.345 1.00 0.00 C ATOM 836 OD1 ASP A 74 11.413 -12.940 -6.031 1.00 0.00 O ATOM 837 OD2 ASP A 74 13.619 -12.737 -6.583 1.00 0.00 O ATOM 0 H ASP A 74 11.561 -8.281 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 74 11.116 -11.089 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.301 -10.351 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.952 -10.301 -5.568 1.00 0.00 H new ATOM 843 N LYS A 75 9.443 -10.342 -6.072 1.00 0.00 N ATOM 844 CA LYS A 75 8.324 -9.827 -5.271 1.00 0.00 C ATOM 845 C LYS A 75 8.885 -8.989 -4.057 1.00 0.00 C ATOM 846 O LYS A 75 10.098 -8.767 -3.930 1.00 0.00 O ATOM 847 CB LYS A 75 7.438 -11.010 -4.798 1.00 0.00 C ATOM 848 CG LYS A 75 6.942 -12.053 -5.830 1.00 0.00 C ATOM 849 CD LYS A 75 6.152 -13.202 -5.167 1.00 0.00 C ATOM 850 CE LYS A 75 5.585 -14.236 -6.155 1.00 0.00 C ATOM 851 NZ LYS A 75 4.427 -13.694 -6.895 1.00 0.00 N ATOM 0 H LYS A 75 9.757 -11.267 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 75 7.702 -9.165 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.995 -11.549 -4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.558 -10.586 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.310 -11.559 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.797 -12.465 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.804 -13.714 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.329 -12.777 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.362 -14.533 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.285 -15.133 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.745 -14.457 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.970 -12.951 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.750 -13.291 -7.798 1.00 0.00 H new ATOM 864 N PHE A 76 8.020 -8.481 -3.164 1.00 0.00 N ATOM 865 CA PHE A 76 8.469 -7.813 -1.921 1.00 0.00 C ATOM 866 C PHE A 76 7.912 -8.574 -0.658 1.00 0.00 C ATOM 867 O PHE A 76 6.999 -9.401 -0.722 1.00 0.00 O ATOM 868 CB PHE A 76 8.238 -6.272 -2.050 1.00 0.00 C ATOM 869 CG PHE A 76 9.200 -5.510 -1.117 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.549 -5.398 -1.484 1.00 0.00 C ATOM 871 CD2 PHE A 76 8.805 -5.096 0.157 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.481 -4.867 -0.597 1.00 0.00 C ATOM 873 CE2 PHE A 76 9.747 -4.590 1.054 1.00 0.00 C ATOM 874 CZ PHE A 76 11.079 -4.467 0.673 1.00 0.00 C ATOM 0 H PHE A 76 7.007 -8.518 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 76 9.545 -7.882 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.396 -5.958 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.206 -6.029 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.867 -5.726 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.768 -5.168 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.514 -4.766 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.441 -4.293 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.802 -4.060 1.364 1.00 0.00 H new ATOM 884 N SER A 77 8.538 -8.364 0.505 1.00 0.00 N ATOM 885 CA SER A 77 8.172 -9.042 1.785 1.00 0.00 C ATOM 886 C SER A 77 8.849 -8.294 2.973 1.00 0.00 C ATOM 887 O SER A 77 10.031 -7.936 2.920 1.00 0.00 O ATOM 888 CB SER A 77 8.550 -10.551 1.770 1.00 0.00 C ATOM 889 OG SER A 77 9.957 -10.774 1.880 1.00 0.00 O ATOM 0 H SER A 77 9.321 -7.717 0.601 1.00 0.00 H new ATOM 0 HA SER A 77 7.090 -8.999 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.042 -11.056 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.187 -11.002 0.846 1.00 0.00 H new ATOM 0 HG SER A 77 10.138 -11.737 1.867 1.00 0.00 H new ATOM 895 N PHE A 78 8.093 -8.038 4.042 1.00 0.00 N ATOM 896 CA PHE A 78 8.597 -7.320 5.250 1.00 0.00 C ATOM 897 C PHE A 78 7.876 -7.837 6.557 1.00 0.00 C ATOM 898 O PHE A 78 7.062 -8.765 6.489 1.00 0.00 O ATOM 899 CB PHE A 78 8.457 -5.806 4.926 1.00 0.00 C ATOM 900 CG PHE A 78 7.070 -5.163 5.078 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.754 -4.586 6.307 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.205 -4.995 3.992 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.585 -3.861 6.464 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.034 -4.249 4.147 1.00 0.00 C ATOM 905 CZ PHE A 78 4.730 -3.688 5.391 1.00 0.00 C ATOM 0 H PHE A 78 7.114 -8.315 4.111 1.00 0.00 H new ATOM 0 HA PHE A 78 9.645 -7.516 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.150 -5.261 5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.786 -5.652 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.427 -4.705 7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.441 -5.440 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.341 -3.431 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.367 -4.106 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.822 -3.116 5.515 1.00 0.00 H new ATOM 915 N ASP A 79 8.154 -7.307 7.771 1.00 0.00 N ATOM 916 CA ASP A 79 7.381 -7.684 8.985 1.00 0.00 C ATOM 917 C ASP A 79 6.703 -6.340 9.434 1.00 0.00 C ATOM 918 O ASP A 79 7.374 -5.304 9.540 1.00 0.00 O ATOM 919 CB ASP A 79 8.373 -8.436 9.901 1.00 0.00 C ATOM 920 CG ASP A 79 7.722 -9.340 10.941 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.444 -10.510 10.712 1.00 0.00 O ATOM 922 OD2 ASP A 79 7.489 -8.717 12.125 1.00 0.00 O ATOM 0 H ASP A 79 8.896 -6.627 7.939 1.00 0.00 H new ATOM 0 HA ASP A 79 6.553 -8.390 8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.035 -9.039 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.997 -7.705 10.415 1.00 0.00 H new ATOM 928 N LEU A 80 5.372 -6.332 9.632 1.00 0.00 N ATOM 929 CA LEU A 80 4.556 -5.103 9.897 1.00 0.00 C ATOM 930 C LEU A 80 5.100 -4.147 11.033 1.00 0.00 C ATOM 931 O LEU A 80 4.981 -4.435 12.225 1.00 0.00 O ATOM 932 CB LEU A 80 3.087 -5.572 10.141 1.00 0.00 C ATOM 933 CG LEU A 80 2.016 -4.848 9.296 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.641 -5.480 9.522 1.00 0.00 C ATOM 935 CD2 LEU A 80 1.889 -3.360 9.569 1.00 0.00 C ATOM 0 H LEU A 80 4.812 -7.185 9.615 1.00 0.00 H new ATOM 0 HA LEU A 80 4.622 -4.456 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.025 -6.641 9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.849 -5.434 11.196 1.00 0.00 H new ATOM 0 HG LEU A 80 2.356 -4.964 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.103 -4.958 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.671 -6.530 9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.374 -5.402 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.113 -2.938 8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.623 -3.203 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.839 -2.869 9.359 1.00 0.00 H new ATOM 947 N GLY A 81 5.721 -3.013 10.646 1.00 0.00 N ATOM 948 CA GLY A 81 6.386 -2.058 11.618 1.00 0.00 C ATOM 949 C GLY A 81 7.521 -2.673 12.492 1.00 0.00 C ATOM 950 O GLY A 81 7.570 -2.462 13.702 1.00 0.00 O ATOM 0 H GLY A 81 5.787 -2.718 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.798 -1.222 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.622 -1.650 12.280 1.00 0.00 H new ATOM 954 N LYS A 82 8.439 -3.402 11.836 1.00 0.00 N ATOM 955 CA LYS A 82 9.447 -4.256 12.508 1.00 0.00 C ATOM 956 C LYS A 82 10.890 -4.080 11.938 1.00 0.00 C ATOM 957 O LYS A 82 11.689 -3.363 12.543 1.00 0.00 O ATOM 958 CB LYS A 82 8.737 -5.652 12.377 1.00 0.00 C ATOM 959 CG LYS A 82 8.253 -6.175 13.722 1.00 0.00 C ATOM 960 CD LYS A 82 9.154 -7.172 14.463 1.00 0.00 C ATOM 961 CE LYS A 82 10.342 -6.527 15.194 1.00 0.00 C ATOM 962 NZ LYS A 82 10.809 -7.466 16.231 1.00 0.00 N ATOM 0 H LYS A 82 8.508 -3.419 10.818 1.00 0.00 H new ATOM 0 HA LYS A 82 9.686 -4.026 13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.890 -5.565 11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.428 -6.370 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.090 -5.319 14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.283 -6.648 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.551 -7.720 15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.535 -7.901 13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.146 -6.306 14.492 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.043 -5.581 15.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.615 -7.049 16.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.037 -7.655 16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.105 -8.357 15.784 1.00 0.00 H new ATOM 975 N GLY A 83 11.245 -4.681 10.783 1.00 0.00 N ATOM 976 CA GLY A 83 12.538 -4.343 10.082 1.00 0.00 C ATOM 977 C GLY A 83 12.081 -3.424 8.932 1.00 0.00 C ATOM 978 O GLY A 83 11.927 -3.774 7.762 1.00 0.00 O ATOM 0 H GLY A 83 10.681 -5.388 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.238 -3.838 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.040 -5.236 9.710 1.00 0.00 H new ATOM 982 N GLU A 84 11.715 -2.269 9.456 1.00 0.00 N ATOM 983 CA GLU A 84 10.823 -1.327 8.830 1.00 0.00 C ATOM 984 C GLU A 84 11.263 -0.604 7.527 1.00 0.00 C ATOM 985 O GLU A 84 12.368 -0.165 7.216 1.00 0.00 O ATOM 986 CB GLU A 84 10.071 -0.511 9.935 1.00 0.00 C ATOM 987 CG GLU A 84 10.895 0.200 11.045 1.00 0.00 C ATOM 988 CD GLU A 84 11.731 1.366 10.521 1.00 0.00 C ATOM 989 OE1 GLU A 84 11.280 2.487 10.311 1.00 0.00 O ATOM 990 OE2 GLU A 84 13.022 1.014 10.287 1.00 0.00 O ATOM 0 H GLU A 84 12.048 -1.954 10.367 1.00 0.00 H new ATOM 0 HA GLU A 84 10.076 -1.915 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.474 0.249 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.374 -1.190 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.215 0.566 11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.554 -0.526 11.521 1.00 0.00 H new ATOM 998 N VAL A 85 10.157 -0.562 6.833 1.00 0.00 N ATOM 999 CA VAL A 85 9.894 -0.066 5.489 1.00 0.00 C ATOM 1000 C VAL A 85 9.776 1.474 5.628 1.00 0.00 C ATOM 1001 O VAL A 85 10.732 2.206 5.898 1.00 0.00 O ATOM 1002 CB VAL A 85 8.663 -0.997 5.064 1.00 0.00 C ATOM 1003 CG1 VAL A 85 9.083 -2.492 4.873 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.383 -1.016 5.953 1.00 0.00 C ATOM 0 H VAL A 85 9.297 -0.922 7.246 1.00 0.00 H new ATOM 0 HA VAL A 85 10.617 -0.143 4.677 1.00 0.00 H new ATOM 0 HB VAL A 85 8.382 -0.496 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.212 -3.081 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.841 -2.560 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.489 -2.878 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.650 -1.698 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.642 -1.351 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.960 -0.013 6.003 1.00 0.00 H new ATOM 1014 N ILE A 86 8.570 1.931 5.434 1.00 0.00 N ATOM 1015 CA ILE A 86 8.121 3.287 5.750 1.00 0.00 C ATOM 1016 C ILE A 86 6.882 3.127 6.672 1.00 0.00 C ATOM 1017 O ILE A 86 6.113 2.154 6.639 1.00 0.00 O ATOM 1018 CB ILE A 86 7.835 4.196 4.515 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.842 3.567 3.510 1.00 0.00 C ATOM 1020 CG2 ILE A 86 9.156 4.697 3.917 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.490 4.437 2.297 1.00 0.00 C ATOM 0 H ILE A 86 7.830 1.354 5.034 1.00 0.00 H new ATOM 0 HA ILE A 86 8.930 3.823 6.246 1.00 0.00 H new ATOM 0 HB ILE A 86 7.296 5.084 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.262 2.627 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.921 3.323 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.948 5.331 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.700 5.271 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.760 3.845 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.788 3.902 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.035 5.368 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.396 4.660 1.734 1.00 0.00 H new ATOM 1033 N LYS A 87 6.632 4.180 7.438 1.00 0.00 N ATOM 1034 CA LYS A 87 5.430 4.211 8.325 1.00 0.00 C ATOM 1035 C LYS A 87 4.077 4.266 7.560 1.00 0.00 C ATOM 1036 O LYS A 87 3.064 3.753 8.038 1.00 0.00 O ATOM 1037 CB LYS A 87 5.509 5.253 9.470 1.00 0.00 C ATOM 1038 CG LYS A 87 6.660 5.133 10.497 1.00 0.00 C ATOM 1039 CD LYS A 87 8.011 5.699 10.000 1.00 0.00 C ATOM 1040 CE LYS A 87 9.059 5.916 11.105 1.00 0.00 C ATOM 1041 NZ LYS A 87 9.564 4.637 11.645 1.00 0.00 N ATOM 0 H LYS A 87 7.216 5.015 7.479 1.00 0.00 H new ATOM 0 HA LYS A 87 5.451 3.238 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.572 6.242 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.568 5.214 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.374 5.655 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.792 4.083 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.423 5.018 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.829 6.649 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.892 6.496 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.619 6.502 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.149 4.822 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.761 4.030 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.138 4.157 10.922 1.00 0.00 H new ATOM 1054 N ALA A 88 4.081 4.858 6.357 1.00 0.00 N ATOM 1055 CA ALA A 88 2.961 4.775 5.418 1.00 0.00 C ATOM 1056 C ALA A 88 2.638 3.327 4.997 1.00 0.00 C ATOM 1057 O ALA A 88 1.447 3.042 4.835 1.00 0.00 O ATOM 1058 CB ALA A 88 3.319 5.612 4.182 1.00 0.00 C ATOM 0 H ALA A 88 4.866 5.409 6.010 1.00 0.00 H new ATOM 0 HA ALA A 88 2.068 5.157 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.501 5.568 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.486 6.647 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.225 5.216 3.724 1.00 0.00 H new ATOM 1064 N TRP A 89 3.632 2.412 4.829 1.00 0.00 N ATOM 1065 CA TRP A 89 3.261 1.014 4.574 1.00 0.00 C ATOM 1066 C TRP A 89 2.709 0.308 5.823 1.00 0.00 C ATOM 1067 O TRP A 89 1.713 -0.385 5.669 1.00 0.00 O ATOM 1068 CB TRP A 89 4.381 0.188 3.990 1.00 0.00 C ATOM 1069 CG TRP A 89 4.908 0.525 2.613 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.478 1.526 1.744 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.701 -0.294 1.883 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.946 1.310 0.439 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.698 0.155 0.547 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.401 -1.444 2.272 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.367 -0.596 -0.446 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.092 -2.149 1.295 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.072 -1.742 -0.049 1.00 0.00 C ATOM 0 H TRP A 89 4.632 2.609 4.864 1.00 0.00 H new ATOM 0 HA TRP A 89 2.469 1.082 3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.221 0.237 4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.046 -0.849 3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.862 2.363 2.038 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.772 1.873 -0.394 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.403 -1.772 3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.336 -0.296 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.656 -3.027 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.607 -2.320 -0.788 1.00 0.00 H new ATOM 1088 N ASP A 90 3.310 0.427 7.023 1.00 0.00 N ATOM 1089 CA ASP A 90 2.656 -0.177 8.228 1.00 0.00 C ATOM 1090 C ASP A 90 1.188 0.312 8.519 1.00 0.00 C ATOM 1091 O ASP A 90 0.354 -0.503 8.919 1.00 0.00 O ATOM 1092 CB ASP A 90 3.571 -0.193 9.467 1.00 0.00 C ATOM 1093 CG ASP A 90 4.211 1.066 10.020 1.00 0.00 C ATOM 1094 OD1 ASP A 90 5.423 1.219 10.118 1.00 0.00 O ATOM 1095 OD2 ASP A 90 3.299 1.968 10.457 1.00 0.00 O ATOM 0 H ASP A 90 4.195 0.904 7.194 1.00 0.00 H new ATOM 0 HA ASP A 90 2.510 -1.222 7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.990 -0.631 10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.383 -0.886 9.247 1.00 0.00 H new ATOM 1101 N ILE A 91 0.852 1.590 8.259 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.556 2.084 8.355 1.00 0.00 C ATOM 1103 C ILE A 91 -1.469 1.432 7.241 1.00 0.00 C ATOM 1104 O ILE A 91 -2.480 0.772 7.530 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.612 3.662 8.497 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.558 4.116 9.987 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -1.897 4.302 7.908 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.737 3.801 10.749 1.00 0.00 C ATOM 0 H ILE A 91 1.525 2.304 7.981 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.006 1.738 9.285 1.00 0.00 H new ATOM 0 HB ILE A 91 0.261 3.998 7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.722 5.193 10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.389 3.649 10.517 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.860 5.383 8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.964 4.072 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.771 3.901 8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.654 4.165 11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.900 2.723 10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.577 4.291 10.257 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.097 1.612 5.965 1.00 0.00 N ATOM 1121 CA ALA A 92 -1.845 1.040 4.827 1.00 0.00 C ATOM 1122 C ALA A 92 -1.892 -0.527 4.731 1.00 0.00 C ATOM 1123 O ALA A 92 -2.921 -1.060 4.330 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.318 1.733 3.582 1.00 0.00 C ATOM 0 H ALA A 92 -0.277 2.153 5.690 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.907 1.239 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.837 1.348 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.489 2.806 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.249 1.542 3.484 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.824 -1.265 5.091 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.832 -2.766 5.182 1.00 0.00 C ATOM 1132 C VAL A 93 -1.729 -3.267 6.365 1.00 0.00 C ATOM 1133 O VAL A 93 -2.452 -4.248 6.182 1.00 0.00 O ATOM 1134 CB VAL A 93 0.620 -3.356 5.126 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.776 -4.802 5.634 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.173 -3.355 3.685 1.00 0.00 C ATOM 0 H VAL A 93 0.077 -0.851 5.330 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.315 -3.173 4.294 1.00 0.00 H new ATOM 0 HB VAL A 93 1.169 -2.694 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.819 -5.107 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.465 -4.857 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.154 -5.467 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.181 -3.770 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.529 -3.961 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.200 -2.333 3.306 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.705 -2.625 7.555 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.681 -2.920 8.638 1.00 0.00 C ATOM 1148 C ALA A 94 -4.197 -2.771 8.193 1.00 0.00 C ATOM 1149 O ALA A 94 -5.063 -3.478 8.703 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.327 -2.029 9.841 1.00 0.00 C ATOM 0 H ALA A 94 -1.026 -1.902 7.793 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.598 -3.972 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.026 -2.222 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.313 -2.252 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.391 -0.981 9.549 1.00 0.00 H new ATOM 1156 N THR A 95 -4.490 -1.848 7.252 1.00 0.00 N ATOM 1157 CA THR A 95 -5.840 -1.676 6.618 1.00 0.00 C ATOM 1158 C THR A 95 -6.047 -2.401 5.215 1.00 0.00 C ATOM 1159 O THR A 95 -7.167 -2.369 4.698 1.00 0.00 O ATOM 1160 CB THR A 95 -6.186 -0.151 6.535 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.166 0.597 5.882 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.409 0.533 7.893 1.00 0.00 C ATOM 0 H THR A 95 -3.797 -1.188 6.899 1.00 0.00 H new ATOM 0 HA THR A 95 -6.542 -2.193 7.273 1.00 0.00 H new ATOM 0 HB THR A 95 -7.119 -0.147 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.385 0.669 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.643 1.586 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.237 0.051 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.505 0.448 8.496 1.00 0.00 H new ATOM 1170 N MET A 96 -5.045 -3.075 4.602 1.00 0.00 N ATOM 1171 CA MET A 96 -5.162 -3.782 3.283 1.00 0.00 C ATOM 1172 C MET A 96 -5.280 -5.330 3.484 1.00 0.00 C ATOM 1173 O MET A 96 -4.487 -5.941 4.207 1.00 0.00 O ATOM 1174 CB MET A 96 -3.952 -3.368 2.406 1.00 0.00 C ATOM 1175 CG MET A 96 -3.903 -3.966 0.984 1.00 0.00 C ATOM 1176 SD MET A 96 -2.850 -2.942 -0.066 1.00 0.00 S ATOM 1177 CE MET A 96 -1.284 -3.811 0.065 1.00 0.00 C ATOM 0 H MET A 96 -4.113 -3.150 5.009 1.00 0.00 H new ATOM 0 HA MET A 96 -6.076 -3.489 2.767 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.947 -2.281 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.038 -3.651 2.928 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.518 -4.985 1.020 1.00 0.00 H new ATOM 0 HG3 MET A 96 -4.908 -4.020 0.566 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.465 -3.110 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A 96 -1.195 -4.253 1.057 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.240 -4.598 -0.688 1.00 0.00 H new ATOM 1187 N LYS A 97 -6.245 -5.978 2.803 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.563 -7.416 3.030 1.00 0.00 C ATOM 1189 C LYS A 97 -5.880 -8.510 2.113 1.00 0.00 C ATOM 1190 O LYS A 97 -5.517 -8.311 0.944 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.110 -7.520 3.156 1.00 0.00 C ATOM 1192 CG LYS A 97 -8.982 -7.254 1.904 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.205 -6.346 2.156 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.255 -6.937 3.108 1.00 0.00 C ATOM 1195 NZ LYS A 97 -12.344 -5.958 3.288 1.00 0.00 N ATOM 0 H LYS A 97 -6.823 -5.535 2.089 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.066 -7.710 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.345 -8.522 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.425 -6.822 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.360 -6.798 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.330 -8.209 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.858 -5.396 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.682 -6.128 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.649 -7.869 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.800 -7.175 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.060 -6.350 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.959 -5.080 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.782 -5.752 2.367 1.00 0.00 H new ATOM 1208 N VAL A 98 -5.793 -9.690 2.758 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.160 -10.989 2.319 1.00 0.00 C ATOM 1210 C VAL A 98 -4.640 -11.341 0.891 1.00 0.00 C ATOM 1211 O VAL A 98 -3.732 -12.157 0.812 1.00 0.00 O ATOM 1212 CB VAL A 98 -6.149 -12.142 2.756 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.839 -13.597 2.297 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -6.156 -12.319 4.287 1.00 0.00 C ATOM 0 H VAL A 98 -6.197 -9.787 3.690 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.188 -10.859 2.795 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.065 -11.785 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.608 -14.270 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.825 -13.640 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.867 -13.902 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.845 -13.119 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.153 -12.574 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.475 -11.390 4.759 1.00 0.00 H new ATOM 1224 N GLY A 99 -5.199 -10.837 -0.189 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.865 -11.335 -1.556 1.00 0.00 C ATOM 1226 C GLY A 99 -5.209 -10.373 -2.699 1.00 0.00 C ATOM 1227 O GLY A 99 -5.264 -10.863 -3.829 1.00 0.00 O ATOM 0 H GLY A 99 -5.887 -10.085 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.798 -11.555 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.391 -12.275 -1.722 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.435 -9.054 -2.467 1.00 0.00 N ATOM 1232 CA GLU A 100 -5.853 -8.155 -3.595 1.00 0.00 C ATOM 1233 C GLU A 100 -5.056 -6.815 -3.816 1.00 0.00 C ATOM 1234 O GLU A 100 -4.004 -6.596 -3.202 1.00 0.00 O ATOM 1235 CB GLU A 100 -7.410 -8.106 -3.577 1.00 0.00 C ATOM 1236 CG GLU A 100 -8.108 -8.487 -4.913 1.00 0.00 C ATOM 1237 CD GLU A 100 -7.963 -9.934 -5.378 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -7.439 -10.258 -6.437 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -8.481 -10.824 -4.490 1.00 0.00 O ATOM 0 H GLU A 100 -5.343 -8.598 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.526 -8.586 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.768 -8.777 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.721 -7.099 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.171 -8.267 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.718 -7.838 -5.697 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.516 -5.954 -4.761 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.778 -4.752 -5.217 1.00 0.00 C ATOM 1249 C LEU A 101 -5.297 -3.355 -4.735 1.00 0.00 C ATOM 1250 O LEU A 101 -6.467 -2.984 -4.933 1.00 0.00 O ATOM 1251 CB LEU A 101 -4.685 -4.851 -6.771 1.00 0.00 C ATOM 1252 CG LEU A 101 -3.850 -3.776 -7.521 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -2.380 -3.721 -7.074 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -3.882 -4.047 -9.033 1.00 0.00 C ATOM 0 H LEU A 101 -6.414 -6.077 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.801 -4.774 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.271 -5.828 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.699 -4.824 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.308 -2.817 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.857 -2.949 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.332 -3.488 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.908 -4.686 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.294 -3.289 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.462 -5.032 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.912 -4.012 -9.387 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.363 -2.566 -4.156 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.621 -1.179 -3.709 1.00 0.00 C ATOM 1268 C CYS A 102 -3.410 -0.258 -4.044 1.00 0.00 C ATOM 1269 O CYS A 102 -2.303 -0.738 -4.319 1.00 0.00 O ATOM 1270 CB CYS A 102 -4.908 -1.133 -2.190 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.685 -2.662 -1.552 1.00 0.00 S ATOM 0 H CYS A 102 -3.406 -2.875 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.500 -0.816 -4.242 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.974 -0.959 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.560 -0.286 -1.976 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.760 -3.502 -1.194 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.574 1.076 -3.976 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.483 2.010 -4.249 1.00 0.00 C ATOM 1279 C ARG A 103 -2.317 3.029 -3.093 1.00 0.00 C ATOM 1280 O ARG A 103 -3.171 3.855 -2.789 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.517 2.633 -5.653 1.00 0.00 C ATOM 1282 CG ARG A 103 -3.229 1.907 -6.822 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.004 2.590 -8.181 1.00 0.00 C ATOM 1284 NE ARG A 103 -3.373 1.677 -9.294 1.00 0.00 N ATOM 1285 CZ ARG A 103 -4.585 1.507 -9.805 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -5.654 2.113 -9.383 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -4.695 0.680 -10.784 1.00 0.00 N ATOM 0 H ARG A 103 -4.457 1.525 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.566 1.422 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.978 3.616 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.483 2.795 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.872 0.879 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.299 1.862 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.599 3.501 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.959 2.885 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.619 1.127 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.594 2.772 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.553 1.930 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.871 0.190 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.606 0.514 -11.212 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.160 2.967 -2.460 1.00 0.00 N ATOM 1301 CA ILE A 104 -0.790 3.840 -1.309 1.00 0.00 C ATOM 1302 C ILE A 104 -0.803 5.379 -1.639 1.00 0.00 C ATOM 1303 O ILE A 104 -0.295 5.798 -2.686 1.00 0.00 O ATOM 1304 CB ILE A 104 0.687 3.417 -0.898 1.00 0.00 C ATOM 1305 CG1 ILE A 104 0.941 1.935 -0.479 1.00 0.00 C ATOM 1306 CG2 ILE A 104 1.408 4.355 0.106 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.720 1.549 0.983 1.00 0.00 C ATOM 0 H ILE A 104 -0.426 2.307 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.526 3.702 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 104 1.139 3.535 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.299 1.301 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.971 1.688 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.406 3.968 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.488 5.354 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.838 4.402 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.937 0.489 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.382 2.138 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.316 1.745 1.258 1.00 0.00 H new ATOM 1319 N THR A 105 -1.325 6.217 -0.723 1.00 0.00 N ATOM 1320 CA THR A 105 -1.306 7.705 -0.902 1.00 0.00 C ATOM 1321 C THR A 105 -0.804 8.266 0.463 1.00 0.00 C ATOM 1322 O THR A 105 -1.538 8.153 1.459 1.00 0.00 O ATOM 1323 CB THR A 105 -2.707 8.204 -1.368 1.00 0.00 C ATOM 1324 OG1 THR A 105 -3.071 7.569 -2.590 1.00 0.00 O ATOM 1325 CG2 THR A 105 -2.766 9.709 -1.664 1.00 0.00 C ATOM 0 H THR A 105 -1.763 5.906 0.144 1.00 0.00 H new ATOM 0 HA THR A 105 -0.640 8.058 -1.689 1.00 0.00 H new ATOM 0 HB THR A 105 -3.374 7.967 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.953 7.888 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.773 9.978 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.509 10.267 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.058 9.952 -2.456 1.00 0.00 H new ATOM 1333 N CYS A 106 0.437 8.818 0.531 1.00 0.00 N ATOM 1334 CA CYS A 106 1.025 9.235 1.840 1.00 0.00 C ATOM 1335 C CYS A 106 1.785 10.597 1.932 1.00 0.00 C ATOM 1336 O CYS A 106 2.474 11.050 1.015 1.00 0.00 O ATOM 1337 CB CYS A 106 1.970 8.112 2.324 1.00 0.00 C ATOM 1338 SG CYS A 106 3.301 7.700 1.146 1.00 0.00 S ATOM 0 H CYS A 106 1.037 8.983 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 106 0.149 9.402 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.418 8.412 3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.382 7.215 2.519 1.00 0.00 H new ATOM 0 HG CYS A 106 2.966 8.101 -0.045 1.00 0.00 H new ATOM 1344 N LYS A 107 1.696 11.183 3.137 1.00 0.00 N ATOM 1345 CA LYS A 107 2.377 12.454 3.514 1.00 0.00 C ATOM 1346 C LYS A 107 3.887 12.215 3.902 1.00 0.00 C ATOM 1347 O LYS A 107 4.151 11.231 4.608 1.00 0.00 O ATOM 1348 CB LYS A 107 1.601 13.036 4.734 1.00 0.00 C ATOM 1349 CG LYS A 107 1.753 14.548 5.036 1.00 0.00 C ATOM 1350 CD LYS A 107 2.889 14.897 6.024 1.00 0.00 C ATOM 1351 CE LYS A 107 3.002 16.391 6.370 1.00 0.00 C ATOM 1352 NZ LYS A 107 1.916 16.824 7.273 1.00 0.00 N ATOM 0 H LYS A 107 1.142 10.788 3.897 1.00 0.00 H new ATOM 0 HA LYS A 107 2.374 13.142 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.541 12.830 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.912 12.485 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.930 15.076 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.811 14.921 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.736 14.335 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.836 14.563 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.966 16.584 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.971 16.981 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.024 17.836 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.997 16.662 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.961 16.278 8.157 1.00 0.00 H new ATOM 1365 N PRO A 108 4.891 13.085 3.573 1.00 0.00 N ATOM 1366 CA PRO A 108 6.322 12.871 3.955 1.00 0.00 C ATOM 1367 C PRO A 108 6.709 12.500 5.420 1.00 0.00 C ATOM 1368 O PRO A 108 7.742 11.859 5.598 1.00 0.00 O ATOM 1369 CB PRO A 108 7.013 14.152 3.466 1.00 0.00 C ATOM 1370 CG PRO A 108 6.167 14.569 2.291 1.00 0.00 C ATOM 1371 CD PRO A 108 4.725 14.241 2.667 1.00 0.00 C ATOM 0 HA PRO A 108 6.648 11.938 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.034 14.919 4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.046 13.966 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.283 15.633 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.465 14.036 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.233 15.078 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.124 13.990 1.793 1.00 0.00 H new ATOM 1379 N GLU A 109 5.923 12.839 6.460 1.00 0.00 N ATOM 1380 CA GLU A 109 6.232 12.409 7.859 1.00 0.00 C ATOM 1381 C GLU A 109 6.233 10.852 8.079 1.00 0.00 C ATOM 1382 O GLU A 109 7.065 10.297 8.797 1.00 0.00 O ATOM 1383 CB GLU A 109 5.324 13.201 8.841 1.00 0.00 C ATOM 1384 CG GLU A 109 5.727 13.136 10.339 1.00 0.00 C ATOM 1385 CD GLU A 109 7.029 13.855 10.691 1.00 0.00 C ATOM 1386 OE1 GLU A 109 7.100 15.050 10.954 1.00 0.00 O ATOM 1387 OE2 GLU A 109 8.101 13.021 10.678 1.00 0.00 O ATOM 0 H GLU A 109 5.077 13.402 6.372 1.00 0.00 H new ATOM 0 HA GLU A 109 7.270 12.663 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.313 14.246 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.304 12.829 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.921 13.564 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.818 12.089 10.630 1.00 0.00 H new ATOM 1395 N TYR A 110 5.289 10.175 7.424 1.00 0.00 N ATOM 1396 CA TYR A 110 5.233 8.710 7.303 1.00 0.00 C ATOM 1397 C TYR A 110 6.206 8.111 6.210 1.00 0.00 C ATOM 1398 O TYR A 110 6.291 6.884 6.119 1.00 0.00 O ATOM 1399 CB TYR A 110 3.776 8.412 6.865 1.00 0.00 C ATOM 1400 CG TYR A 110 2.652 8.521 7.916 1.00 0.00 C ATOM 1401 CD1 TYR A 110 1.995 9.733 8.156 1.00 0.00 C ATOM 1402 CD2 TYR A 110 2.252 7.382 8.627 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.022 9.817 9.151 1.00 0.00 C ATOM 1404 CE2 TYR A 110 1.275 7.468 9.613 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.675 8.691 9.888 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.216 8.805 10.918 1.00 0.00 O ATOM 0 H TYR A 110 4.517 10.641 6.947 1.00 0.00 H new ATOM 0 HA TYR A 110 5.537 8.260 8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.531 9.090 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.753 7.401 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.242 10.605 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.707 6.428 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.536 10.761 9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.983 6.586 10.164 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.353 7.927 11.331 1.00 0.00 H new ATOM 1416 N ALA A 111 6.888 8.926 5.370 1.00 0.00 N ATOM 1417 CA ALA A 111 7.708 8.419 4.233 1.00 0.00 C ATOM 1418 C ALA A 111 9.172 9.008 4.158 1.00 0.00 C ATOM 1419 O ALA A 111 9.956 8.705 5.058 1.00 0.00 O ATOM 1420 CB ALA A 111 6.784 8.696 3.023 1.00 0.00 C ATOM 0 H ALA A 111 6.889 9.942 5.456 1.00 0.00 H new ATOM 0 HA ALA A 111 7.969 7.364 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.274 8.365 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.847 8.154 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.579 9.765 2.959 1.00 0.00 H new ATOM 1426 N TYR A 112 9.591 9.783 3.116 1.00 0.00 N ATOM 1427 CA TYR A 112 10.985 10.365 3.045 1.00 0.00 C ATOM 1428 C TYR A 112 11.043 11.917 3.404 1.00 0.00 C ATOM 1429 O TYR A 112 11.911 12.624 2.888 1.00 0.00 O ATOM 1430 CB TYR A 112 11.795 9.987 1.738 1.00 0.00 C ATOM 1431 CG TYR A 112 11.572 8.622 1.033 1.00 0.00 C ATOM 1432 CD1 TYR A 112 11.716 7.431 1.756 1.00 0.00 C ATOM 1433 CD2 TYR A 112 11.305 8.545 -0.341 1.00 0.00 C ATOM 1434 CE1 TYR A 112 11.616 6.194 1.124 1.00 0.00 C ATOM 1435 CE2 TYR A 112 11.242 7.303 -0.978 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.393 6.133 -0.245 1.00 0.00 C ATOM 1437 OH TYR A 112 11.290 4.924 -0.874 1.00 0.00 O ATOM 0 H TYR A 112 9.001 10.022 2.319 1.00 0.00 H new ATOM 0 HA TYR A 112 11.525 9.859 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.595 10.765 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.854 10.049 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 112 11.907 7.473 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.147 9.450 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 112 11.712 5.284 1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.075 7.253 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 112 10.931 5.054 -1.777 1.00 0.00 H new ATOM 1447 N GLY A 113 10.158 12.495 4.264 1.00 0.00 N ATOM 1448 CA GLY A 113 10.223 13.921 4.699 1.00 0.00 C ATOM 1449 C GLY A 113 11.528 14.502 5.281 1.00 0.00 C ATOM 1450 O GLY A 113 12.403 13.790 5.778 1.00 0.00 O ATOM 0 H GLY A 113 9.377 11.984 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.954 14.533 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.444 14.065 5.448 1.00 0.00 H new ATOM 1454 N SER A 114 11.629 15.839 5.208 1.00 0.00 N ATOM 1455 CA SER A 114 12.832 16.618 5.633 1.00 0.00 C ATOM 1456 C SER A 114 14.070 16.448 4.682 1.00 0.00 C ATOM 1457 O SER A 114 14.491 17.420 4.053 1.00 0.00 O ATOM 1458 CB SER A 114 13.156 16.482 7.144 1.00 0.00 C ATOM 1459 OG SER A 114 14.122 17.452 7.552 1.00 0.00 O ATOM 0 H SER A 114 10.877 16.427 4.850 1.00 0.00 H new ATOM 0 HA SER A 114 12.551 17.664 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.244 16.605 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.533 15.480 7.350 1.00 0.00 H new ATOM 0 HG SER A 114 14.308 17.346 8.508 1.00 0.00 H new ATOM 1465 N ALA A 115 14.640 15.236 4.579 1.00 0.00 N ATOM 1466 CA ALA A 115 15.826 14.948 3.727 1.00 0.00 C ATOM 1467 C ALA A 115 15.644 14.238 2.341 1.00 0.00 C ATOM 1468 O ALA A 115 16.574 14.332 1.535 1.00 0.00 O ATOM 1469 CB ALA A 115 16.794 14.160 4.632 1.00 0.00 C ATOM 0 H ALA A 115 14.296 14.419 5.083 1.00 0.00 H new ATOM 0 HA ALA A 115 16.185 15.917 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.695 13.911 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 115 17.061 14.768 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 115 16.312 13.243 4.969 1.00 0.00 H new ATOM 1475 N GLY A 116 14.509 13.594 1.997 1.00 0.00 N ATOM 1476 CA GLY A 116 14.368 12.839 0.734 1.00 0.00 C ATOM 1477 C GLY A 116 14.873 11.381 0.859 1.00 0.00 C ATOM 1478 O GLY A 116 15.315 10.928 1.922 1.00 0.00 O ATOM 0 H GLY A 116 13.672 13.582 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.321 12.833 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.924 13.347 -0.054 1.00 0.00 H new ATOM 1482 N SER A 117 14.750 10.592 -0.216 1.00 0.00 N ATOM 1483 CA SER A 117 15.286 9.198 -0.208 1.00 0.00 C ATOM 1484 C SER A 117 16.858 9.255 -0.350 1.00 0.00 C ATOM 1485 O SER A 117 17.300 9.849 -1.343 1.00 0.00 O ATOM 1486 CB SER A 117 14.741 8.291 -1.334 1.00 0.00 C ATOM 1487 OG SER A 117 14.900 6.913 -0.995 1.00 0.00 O ATOM 0 H SER A 117 14.299 10.872 -1.087 1.00 0.00 H new ATOM 0 HA SER A 117 14.961 8.760 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.687 8.509 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.266 8.504 -2.265 1.00 0.00 H new ATOM 0 HG SER A 117 14.029 6.532 -0.757 1.00 0.00 H new ATOM 1493 N PRO A 118 17.717 8.628 0.506 1.00 0.00 N ATOM 1494 CA PRO A 118 19.206 8.738 0.407 1.00 0.00 C ATOM 1495 C PRO A 118 19.978 8.769 -0.974 1.00 0.00 C ATOM 1496 O PRO A 118 20.866 9.622 -1.072 1.00 0.00 O ATOM 1497 CB PRO A 118 19.677 7.651 1.388 1.00 0.00 C ATOM 1498 CG PRO A 118 18.591 7.636 2.469 1.00 0.00 C ATOM 1499 CD PRO A 118 17.280 7.927 1.731 1.00 0.00 C ATOM 0 HA PRO A 118 19.478 9.768 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.766 6.682 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 118 20.655 7.887 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.552 6.671 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 118 18.787 8.388 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.740 7.010 1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.612 8.546 2.330 1.00 0.00 H new ATOM 1507 N PRO A 119 19.724 7.955 -2.045 1.00 0.00 N ATOM 1508 CA PRO A 119 20.507 8.048 -3.313 1.00 0.00 C ATOM 1509 C PRO A 119 20.121 9.137 -4.381 1.00 0.00 C ATOM 1510 O PRO A 119 21.032 9.651 -5.033 1.00 0.00 O ATOM 1511 CB PRO A 119 20.380 6.609 -3.854 1.00 0.00 C ATOM 1512 CG PRO A 119 19.012 6.125 -3.364 1.00 0.00 C ATOM 1513 CD PRO A 119 18.869 6.753 -1.977 1.00 0.00 C ATOM 0 HA PRO A 119 21.514 8.406 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.440 6.589 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 119 21.182 5.973 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.213 6.447 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.968 5.037 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.833 7.011 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.199 6.071 -1.193 1.00 0.00 H new ATOM 1521 N LYS A 120 18.828 9.462 -4.610 1.00 0.00 N ATOM 1522 CA LYS A 120 18.414 10.420 -5.692 1.00 0.00 C ATOM 1523 C LYS A 120 17.102 11.282 -5.524 1.00 0.00 C ATOM 1524 O LYS A 120 16.868 12.150 -6.373 1.00 0.00 O ATOM 1525 CB LYS A 120 18.274 9.632 -7.040 1.00 0.00 C ATOM 1526 CG LYS A 120 19.576 9.147 -7.727 1.00 0.00 C ATOM 1527 CD LYS A 120 19.391 8.628 -9.168 1.00 0.00 C ATOM 1528 CE LYS A 120 18.650 7.285 -9.262 1.00 0.00 C ATOM 1529 NZ LYS A 120 18.581 6.861 -10.675 1.00 0.00 N ATOM 0 H LYS A 120 18.049 9.084 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 120 19.215 11.158 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 120 17.647 8.760 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 120 17.738 10.267 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.291 9.969 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.015 8.353 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 120 18.843 9.374 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.371 8.523 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.166 6.530 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.645 7.382 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.080 5.952 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.071 7.579 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.544 6.753 -11.053 1.00 0.00 H new ATOM 1542 N ILE A 121 16.236 11.106 -4.510 1.00 0.00 N ATOM 1543 CA ILE A 121 14.940 11.878 -4.407 1.00 0.00 C ATOM 1544 C ILE A 121 15.142 13.350 -3.828 1.00 0.00 C ATOM 1545 O ILE A 121 16.001 13.479 -2.947 1.00 0.00 O ATOM 1546 CB ILE A 121 13.905 11.013 -3.585 1.00 0.00 C ATOM 1547 CG1 ILE A 121 13.437 9.736 -4.363 1.00 0.00 C ATOM 1548 CG2 ILE A 121 12.718 11.788 -2.926 1.00 0.00 C ATOM 1549 CD1 ILE A 121 12.020 9.189 -4.170 1.00 0.00 C ATOM 0 H ILE A 121 16.389 10.447 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 121 14.537 12.044 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 121 14.487 10.683 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.561 9.942 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.130 8.933 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.078 11.087 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.109 12.528 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.138 12.291 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 121 11.884 8.304 -4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 121 11.872 8.924 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 121 11.294 9.949 -4.458 1.00 0.00 H new ATOM 1561 N PRO A 122 14.422 14.479 -4.181 1.00 0.00 N ATOM 1562 CA PRO A 122 14.670 15.808 -3.544 1.00 0.00 C ATOM 1563 C PRO A 122 14.215 15.935 -2.032 1.00 0.00 C ATOM 1564 O PRO A 122 13.348 15.161 -1.600 1.00 0.00 O ATOM 1565 CB PRO A 122 13.881 16.801 -4.431 1.00 0.00 C ATOM 1566 CG PRO A 122 13.383 15.992 -5.624 1.00 0.00 C ATOM 1567 CD PRO A 122 13.258 14.566 -5.098 1.00 0.00 C ATOM 0 HA PRO A 122 15.743 15.995 -3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 122 13.048 17.239 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 122 14.517 17.625 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.425 16.367 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.081 16.047 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.314 14.403 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.312 13.828 -5.899 1.00 0.00 H new ATOM 1575 N PRO A 123 14.708 16.912 -1.211 1.00 0.00 N ATOM 1576 CA PRO A 123 14.265 17.076 0.201 1.00 0.00 C ATOM 1577 C PRO A 123 12.749 17.412 0.431 1.00 0.00 C ATOM 1578 O PRO A 123 12.204 18.349 -0.158 1.00 0.00 O ATOM 1579 CB PRO A 123 15.182 18.204 0.715 1.00 0.00 C ATOM 1580 CG PRO A 123 16.436 18.106 -0.150 1.00 0.00 C ATOM 1581 CD PRO A 123 15.898 17.732 -1.529 1.00 0.00 C ATOM 0 HA PRO A 123 14.348 16.128 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 123 14.706 19.179 0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 123 15.418 18.073 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 123 16.980 19.050 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 123 17.125 17.351 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 123 15.636 18.614 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.631 17.172 -2.110 1.00 0.00 H new ATOM 1589 N ASN A 124 12.084 16.646 1.317 1.00 0.00 N ATOM 1590 CA ASN A 124 10.661 16.851 1.724 1.00 0.00 C ATOM 1591 C ASN A 124 9.564 16.808 0.571 1.00 0.00 C ATOM 1592 O ASN A 124 8.900 17.820 0.327 1.00 0.00 O ATOM 1593 CB ASN A 124 10.616 18.122 2.626 1.00 0.00 C ATOM 1594 CG ASN A 124 9.442 18.189 3.617 1.00 0.00 C ATOM 1595 OD1 ASN A 124 8.832 17.182 3.964 1.00 0.00 O ATOM 1596 ND2 ASN A 124 9.118 19.313 4.211 1.00 0.00 N ATOM 0 H ASN A 124 12.519 15.851 1.784 1.00 0.00 H new ATOM 0 HA ASN A 124 10.345 15.973 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.548 18.180 3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.577 19.001 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 124 8.389 19.321 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.595 20.179 3.959 1.00 0.00 H new ATOM 1603 N ALA A 125 9.319 15.664 -0.114 1.00 0.00 N ATOM 1604 CA ALA A 125 8.318 15.570 -1.222 1.00 0.00 C ATOM 1605 C ALA A 125 7.322 14.377 -1.006 1.00 0.00 C ATOM 1606 O ALA A 125 7.724 13.295 -0.562 1.00 0.00 O ATOM 1607 CB ALA A 125 9.135 15.476 -2.524 1.00 0.00 C ATOM 0 H ALA A 125 9.800 14.786 0.078 1.00 0.00 H new ATOM 0 HA ALA A 125 7.667 16.444 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.457 15.405 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.756 16.366 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.771 14.591 -2.492 1.00 0.00 H new ATOM 1613 N THR A 126 6.015 14.561 -1.311 1.00 0.00 N ATOM 1614 CA THR A 126 4.943 13.537 -1.038 1.00 0.00 C ATOM 1615 C THR A 126 5.166 12.145 -1.767 1.00 0.00 C ATOM 1616 O THR A 126 5.693 12.135 -2.885 1.00 0.00 O ATOM 1617 CB THR A 126 3.580 14.243 -1.325 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.383 15.330 -0.425 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.296 13.412 -1.197 1.00 0.00 C ATOM 0 H THR A 126 5.662 15.411 -1.750 1.00 0.00 H new ATOM 0 HA THR A 126 4.970 13.216 0.003 1.00 0.00 H new ATOM 0 HB THR A 126 3.699 14.512 -2.374 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.526 15.764 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.433 14.038 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.333 12.575 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.208 13.032 -0.179 1.00 0.00 H new ATOM 1627 N LEU A 127 4.776 10.979 -1.183 1.00 0.00 N ATOM 1628 CA LEU A 127 5.103 9.641 -1.769 1.00 0.00 C ATOM 1629 C LEU A 127 3.826 8.848 -2.185 1.00 0.00 C ATOM 1630 O LEU A 127 2.720 9.013 -1.657 1.00 0.00 O ATOM 1631 CB LEU A 127 6.054 8.926 -0.751 1.00 0.00 C ATOM 1632 CG LEU A 127 7.206 8.069 -1.331 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.193 8.914 -2.148 1.00 0.00 C ATOM 1634 CD2 LEU A 127 7.960 7.347 -0.210 1.00 0.00 C ATOM 0 H LEU A 127 4.240 10.934 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 127 5.630 9.728 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.493 9.689 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.445 8.284 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 127 6.752 7.335 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.985 8.274 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.668 9.386 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.628 9.683 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.765 6.750 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.379 8.081 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.273 6.695 0.329 1.00 0.00 H new ATOM 1646 N VAL A 128 4.019 7.981 -3.181 1.00 0.00 N ATOM 1647 CA VAL A 128 2.919 7.261 -3.886 1.00 0.00 C ATOM 1648 C VAL A 128 3.384 5.792 -4.213 1.00 0.00 C ATOM 1649 O VAL A 128 4.480 5.587 -4.733 1.00 0.00 O ATOM 1650 CB VAL A 128 2.602 8.132 -5.176 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.612 7.521 -6.168 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.072 9.570 -4.919 1.00 0.00 C ATOM 0 H VAL A 128 4.946 7.746 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 128 2.012 7.154 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 128 3.608 8.161 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.472 8.201 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.002 6.570 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.656 7.355 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.892 10.067 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.141 9.519 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.811 10.134 -4.350 1.00 0.00 H new ATOM 1662 N PHE A 129 2.598 4.750 -3.897 1.00 0.00 N ATOM 1663 CA PHE A 129 2.946 3.319 -4.276 1.00 0.00 C ATOM 1664 C PHE A 129 1.669 2.559 -4.775 1.00 0.00 C ATOM 1665 O PHE A 129 0.542 2.987 -4.564 1.00 0.00 O ATOM 1666 CB PHE A 129 3.764 2.496 -3.237 1.00 0.00 C ATOM 1667 CG PHE A 129 5.113 2.959 -2.694 1.00 0.00 C ATOM 1668 CD1 PHE A 129 5.157 4.003 -1.774 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.264 2.195 -2.923 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.339 4.303 -1.113 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.446 2.484 -2.244 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.479 3.531 -1.328 1.00 0.00 C ATOM 0 H PHE A 129 1.720 4.842 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 129 3.657 3.418 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.114 2.353 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.928 1.513 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.267 4.582 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.235 1.378 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.376 5.138 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.334 1.897 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.387 3.745 -0.784 1.00 0.00 H new ATOM 1682 N GLU A 130 1.823 1.446 -5.494 1.00 0.00 N ATOM 1683 CA GLU A 130 0.715 0.557 -5.944 1.00 0.00 C ATOM 1684 C GLU A 130 1.152 -0.827 -5.422 1.00 0.00 C ATOM 1685 O GLU A 130 2.108 -1.414 -5.943 1.00 0.00 O ATOM 1686 CB GLU A 130 0.607 0.721 -7.460 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.322 -0.119 -8.336 1.00 0.00 C ATOM 1688 CD GLU A 130 0.234 -1.418 -8.934 1.00 0.00 C ATOM 1689 OE1 GLU A 130 1.397 -1.802 -8.838 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -0.711 -2.088 -9.642 1.00 0.00 O ATOM 0 H GLU A 130 2.740 1.117 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.290 0.760 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.337 1.762 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.613 0.580 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.201 -0.373 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.663 0.509 -9.159 1.00 0.00 H new ATOM 1698 N VAL A 131 0.522 -1.310 -4.344 1.00 0.00 N ATOM 1699 CA VAL A 131 1.022 -2.514 -3.636 1.00 0.00 C ATOM 1700 C VAL A 131 -0.073 -3.630 -3.580 1.00 0.00 C ATOM 1701 O VAL A 131 -1.254 -3.387 -3.297 1.00 0.00 O ATOM 1702 CB VAL A 131 1.606 -2.066 -2.245 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.547 -3.138 -1.652 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.446 -0.762 -2.214 1.00 0.00 C ATOM 0 H VAL A 131 -0.321 -0.900 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 131 1.841 -2.985 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 131 0.688 -1.903 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.931 -2.794 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.996 -4.068 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.379 -3.310 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.785 -0.572 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.310 -0.870 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.834 0.073 -2.554 1.00 0.00 H new ATOM 1714 N GLU A 132 0.352 -4.869 -3.869 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.550 -6.061 -3.871 1.00 0.00 C ATOM 1716 C GLU A 132 -0.156 -7.076 -2.775 1.00 0.00 C ATOM 1717 O GLU A 132 0.918 -7.675 -2.810 1.00 0.00 O ATOM 1718 CB GLU A 132 -0.563 -6.713 -5.267 1.00 0.00 C ATOM 1719 CG GLU A 132 -1.707 -7.726 -5.529 1.00 0.00 C ATOM 1720 CD GLU A 132 -1.765 -8.228 -6.967 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -2.292 -7.609 -7.885 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -1.171 -9.440 -7.122 1.00 0.00 O ATOM 0 H GLU A 132 1.320 -5.086 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.561 -5.725 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.625 -5.923 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 132 0.389 -7.222 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.585 -8.579 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -2.659 -7.258 -5.278 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.053 -7.274 -1.814 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.786 -8.179 -0.654 1.00 0.00 C ATOM 1732 C LEU A 133 -1.297 -9.632 -0.892 1.00 0.00 C ATOM 1733 O LEU A 133 -2.509 -9.861 -0.898 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.378 -7.533 0.635 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.949 -8.130 2.006 1.00 0.00 C ATOM 1736 CD1 LEU A 133 -1.185 -7.112 3.133 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.731 -9.392 2.401 1.00 0.00 C ATOM 0 H LEU A 133 -1.972 -6.832 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 133 0.292 -8.285 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -1.113 -6.476 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.465 -7.590 0.570 1.00 0.00 H new ATOM 0 HG LEU A 133 0.104 -8.382 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -0.880 -7.546 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.600 -6.213 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -2.243 -6.854 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.378 -9.751 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.793 -9.156 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -1.578 -10.165 1.648 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.347 -10.579 -1.012 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.599 -12.027 -1.247 1.00 0.00 C ATOM 1751 C PHE A 134 -1.048 -12.863 0.005 1.00 0.00 C ATOM 1752 O PHE A 134 -1.855 -13.781 -0.158 1.00 0.00 O ATOM 1753 CB PHE A 134 0.663 -12.652 -1.903 1.00 0.00 C ATOM 1754 CG PHE A 134 1.231 -12.043 -3.196 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.490 -12.032 -4.384 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.532 -11.523 -3.196 1.00 0.00 C ATOM 1757 CE1 PHE A 134 1.062 -11.559 -5.559 1.00 0.00 C ATOM 1758 CE2 PHE A 134 3.104 -11.066 -4.374 1.00 0.00 C ATOM 1759 CZ PHE A 134 2.381 -11.129 -5.560 1.00 0.00 C ATOM 0 H PHE A 134 0.647 -10.359 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.464 -12.075 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.459 -12.636 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.439 -13.699 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.528 -12.392 -4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.092 -11.478 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.481 -11.526 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.106 -10.663 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.850 -10.841 -6.489 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.473 -12.632 1.203 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.909 -13.225 2.507 1.00 0.00 C ATOM 1771 C GLU A 135 0.037 -12.586 3.611 1.00 0.00 C ATOM 1772 O GLU A 135 1.027 -11.883 3.352 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.901 -14.798 2.554 1.00 0.00 C ATOM 1774 CG GLU A 135 -2.158 -15.487 3.152 1.00 0.00 C ATOM 1775 CD GLU A 135 -2.422 -15.276 4.648 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -2.990 -14.290 5.110 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -1.925 -16.288 5.411 1.00 0.00 O ATOM 0 H GLU A 135 0.331 -12.012 1.305 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.959 -12.988 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.762 -15.168 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.032 -15.116 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.031 -15.136 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.076 -16.559 2.970 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.268 -12.842 4.882 1.00 0.00 N ATOM 1786 CA PHE A 136 0.532 -12.367 6.049 1.00 0.00 C ATOM 1787 C PHE A 136 0.453 -13.458 7.161 1.00 0.00 C ATOM 1788 O PHE A 136 1.204 -14.436 7.115 1.00 0.00 O ATOM 1789 CB PHE A 136 0.241 -10.859 6.433 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.202 -10.305 6.530 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -2.279 -11.195 6.507 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.465 -8.939 6.318 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.505 -10.813 6.031 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -2.728 -8.541 5.864 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.715 -9.505 5.663 1.00 0.00 C ATOM 0 H PHE A 136 -1.085 -13.391 5.152 1.00 0.00 H new ATOM 0 HA PHE A 136 1.592 -12.277 5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.712 -10.684 7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.768 -10.241 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.142 -12.202 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.697 -8.202 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.303 -11.536 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -2.936 -7.499 5.672 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.655 -9.221 5.213 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.452 -13.314 8.136 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.693 -14.348 9.175 1.00 0.00 C ATOM 1807 C LYS A 137 -2.126 -14.997 8.973 1.00 0.00 C ATOM 1808 O LYS A 137 -2.227 -15.847 8.080 1.00 0.00 O ATOM 1809 CB LYS A 137 -0.110 -13.818 10.522 1.00 0.00 C ATOM 1810 CG LYS A 137 -0.567 -14.583 11.780 1.00 0.00 C ATOM 1811 CD LYS A 137 0.240 -14.194 13.029 1.00 0.00 C ATOM 1812 CE LYS A 137 -0.056 -15.096 14.233 1.00 0.00 C ATOM 1813 NZ LYS A 137 0.797 -14.661 15.353 1.00 0.00 N ATOM 0 H LYS A 137 -1.040 -12.486 8.236 1.00 0.00 H new ATOM 0 HA LYS A 137 -0.142 -15.287 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.978 -13.855 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.388 -12.770 10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.624 -14.385 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -0.468 -15.654 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 137 1.304 -14.242 12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 137 0.017 -13.160 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.109 -15.030 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.144 -16.139 13.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.613 -15.260 16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 1.797 -14.745 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 0.584 -13.670 15.587 1.00 0.00 H new ATOM 1826 N GLY A 138 -3.236 -14.662 9.673 1.00 0.00 N ATOM 1827 CA GLY A 138 -4.546 -15.335 9.453 1.00 0.00 C ATOM 1828 C GLY A 138 -5.605 -15.022 10.540 1.00 0.00 C ATOM 1829 O GLY A 138 -5.930 -15.916 11.322 1.00 0.00 O ATOM 0 H GLY A 138 -3.255 -13.936 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.938 -15.035 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.387 -16.413 9.414 1.00 0.00 H new