USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 668 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 Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.41) USER MOD Single : A 64 ASN : amide:sc= -4.75! C(o=-4.8!,f=-3.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 135:sc= 0.182 (180deg=-0.223) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -8.99! C(o=-9!,f=-7.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 150:sc= -0.604 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -15:sc= -1.07 USER MOD Single : A 103 CYS SG : rot 78:sc= 0.96 USER MOD Single : A 107 SER OG : rot 170:sc= -0.0173 USER MOD Single : A 110 LYS NZ :NH3+ -138:sc= 0.089 (180deg=-0.257) USER MOD Single : A 112 GLN : amide:sc= -2.21 K(o=-2.2,f=-3.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.242 K(o=0.24,f=-3.3!) USER MOD Single : A 118 GLN : amide:sc= -14.4! C(o=-14!,f=-9.4!) USER MOD Single : A 119 LYS NZ :NH3+ -132:sc= -0.254 (180deg=-1.4) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 145:sc= -2.45 (180deg=-3.31!) USER MOD Single : A 125 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 129 GLN : amide:sc= -4.87 K(o=-4.9,f=-8.8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 2.178 10.661 -4.065 1.00 0.00 N ATOM 157 CA ILE A 54 3.312 9.819 -4.426 1.00 0.00 C ATOM 158 C ILE A 54 2.852 8.423 -4.834 1.00 0.00 C ATOM 159 O ILE A 54 2.010 7.816 -4.171 1.00 0.00 O ATOM 160 CB ILE A 54 4.316 9.697 -3.264 1.00 0.00 C ATOM 161 CG1 ILE A 54 5.098 11.002 -3.099 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.264 8.532 -3.504 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.992 11.020 -1.879 1.00 0.00 C ATOM 0 HA ILE A 54 3.804 10.299 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 54 3.764 9.507 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.707 11.166 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.395 11.832 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.967 8.459 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.692 7.607 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.813 8.695 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.515 11.975 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.387 10.887 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.719 10.211 -1.949 1.00 0.00 H new ATOM 175 N LYS A 55 3.411 7.918 -5.928 1.00 0.00 N ATOM 176 CA LYS A 55 3.062 6.592 -6.424 1.00 0.00 C ATOM 177 C LYS A 55 4.083 5.554 -5.968 1.00 0.00 C ATOM 178 O LYS A 55 5.092 5.325 -6.638 1.00 0.00 O ATOM 179 CB LYS A 55 2.977 6.603 -7.952 1.00 0.00 C ATOM 180 CG LYS A 55 2.898 5.216 -8.566 1.00 0.00 C ATOM 181 CD LYS A 55 2.686 5.284 -10.069 1.00 0.00 C ATOM 182 CE LYS A 55 4.000 5.489 -10.808 1.00 0.00 C ATOM 183 NZ LYS A 55 3.784 5.786 -12.251 1.00 0.00 N ATOM 0 H LYS A 55 4.108 8.407 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 55 2.089 6.322 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.100 7.176 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.849 7.120 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.816 4.669 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.081 4.660 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.213 4.364 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.003 6.100 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.552 6.308 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.616 4.595 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.703 5.919 -12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.280 4.993 -12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.218 6.653 -12.346 1.00 0.00 H new ATOM 197 N LEU A 56 3.815 4.929 -4.828 1.00 0.00 N ATOM 198 CA LEU A 56 4.710 3.914 -4.283 1.00 0.00 C ATOM 199 C LEU A 56 4.609 2.615 -5.078 1.00 0.00 C ATOM 200 O LEU A 56 3.528 2.042 -5.213 1.00 0.00 O ATOM 201 CB LEU A 56 4.382 3.652 -2.812 1.00 0.00 C ATOM 202 CG LEU A 56 4.893 4.693 -1.815 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.224 4.509 -0.462 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.406 4.605 -1.680 1.00 0.00 C ATOM 0 H LEU A 56 2.985 5.107 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 56 5.731 4.287 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.299 3.580 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.793 2.681 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 56 4.639 5.684 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.600 5.258 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.145 4.623 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.446 3.513 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.752 5.353 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.683 3.612 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.869 4.787 -2.650 1.00 0.00 H new ATOM 216 N PHE A 57 5.741 2.156 -5.599 1.00 0.00 N ATOM 217 CA PHE A 57 5.780 0.924 -6.379 1.00 0.00 C ATOM 218 C PHE A 57 6.157 -0.264 -5.499 1.00 0.00 C ATOM 219 O PHE A 57 7.237 -0.296 -4.909 1.00 0.00 O ATOM 220 CB PHE A 57 6.778 1.057 -7.531 1.00 0.00 C ATOM 221 CG PHE A 57 6.870 -0.173 -8.388 1.00 0.00 C ATOM 222 CD1 PHE A 57 6.000 -0.363 -9.449 1.00 0.00 C ATOM 223 CD2 PHE A 57 7.828 -1.141 -8.132 1.00 0.00 C ATOM 224 CE1 PHE A 57 6.083 -1.493 -10.239 1.00 0.00 C ATOM 225 CE2 PHE A 57 7.917 -2.274 -8.919 1.00 0.00 C ATOM 226 CZ PHE A 57 7.042 -2.451 -9.973 1.00 0.00 C ATOM 0 H PHE A 57 6.644 2.618 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 57 4.785 0.750 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.491 1.904 -8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.764 1.281 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.247 0.382 -9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.513 -1.009 -7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.399 -1.627 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.670 -3.020 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.107 -3.336 -10.588 1.00 0.00 H new ATOM 236 N ILE A 58 5.258 -1.240 -5.417 1.00 0.00 N ATOM 237 CA ILE A 58 5.496 -2.431 -4.611 1.00 0.00 C ATOM 238 C ILE A 58 5.878 -3.619 -5.486 1.00 0.00 C ATOM 239 O ILE A 58 5.324 -3.812 -6.567 1.00 0.00 O ATOM 240 CB ILE A 58 4.257 -2.801 -3.774 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.596 -1.538 -3.216 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.642 -3.746 -2.647 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.406 -0.861 -2.132 1.00 0.00 C ATOM 0 H ILE A 58 4.359 -1.229 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 58 6.322 -2.198 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 58 3.540 -3.309 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.433 -0.833 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.615 -1.797 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.756 -3.998 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.072 -4.656 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.375 -3.263 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.877 0.026 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.547 -1.550 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.378 -0.571 -2.531 1.00 0.00 H new ATOM 255 N GLY A 59 6.829 -4.417 -5.009 1.00 0.00 N ATOM 256 CA GLY A 59 7.268 -5.579 -5.759 1.00 0.00 C ATOM 257 C GLY A 59 7.382 -6.819 -4.895 1.00 0.00 C ATOM 258 O GLY A 59 7.097 -6.776 -3.698 1.00 0.00 O ATOM 0 H GLY A 59 7.303 -4.279 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.566 -5.769 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.235 -5.368 -6.216 1.00 0.00 H new ATOM 262 N GLN A 60 7.798 -7.925 -5.502 1.00 0.00 N ATOM 263 CA GLN A 60 7.946 -9.183 -4.779 1.00 0.00 C ATOM 264 C GLN A 60 6.611 -9.638 -4.198 1.00 0.00 C ATOM 265 O GLN A 60 6.496 -9.882 -2.997 1.00 0.00 O ATOM 266 CB GLN A 60 8.978 -9.034 -3.659 1.00 0.00 C ATOM 267 CG GLN A 60 10.398 -8.839 -4.163 1.00 0.00 C ATOM 268 CD GLN A 60 10.743 -9.769 -5.310 1.00 0.00 C ATOM 269 OE1 GLN A 60 10.928 -9.331 -6.446 1.00 0.00 O ATOM 270 NE2 GLN A 60 10.833 -11.062 -5.018 1.00 0.00 N ATOM 0 H GLN A 60 8.039 -7.976 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 60 8.291 -9.939 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.703 -8.184 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.945 -9.920 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.526 -7.806 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.097 -9.005 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.672 -11.382 -4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.063 -11.735 -5.749 1.00 0.00 H new ATOM 279 N ILE A 61 5.604 -9.749 -5.059 1.00 0.00 N ATOM 280 CA ILE A 61 4.278 -10.175 -4.631 1.00 0.00 C ATOM 281 C ILE A 61 3.745 -11.291 -5.523 1.00 0.00 C ATOM 282 O ILE A 61 3.798 -11.217 -6.751 1.00 0.00 O ATOM 283 CB ILE A 61 3.279 -9.002 -4.643 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.835 -7.822 -3.843 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.936 -9.445 -4.081 1.00 0.00 C ATOM 286 CD1 ILE A 61 3.117 -6.518 -4.112 1.00 0.00 C ATOM 0 H ILE A 61 5.682 -9.550 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 61 4.379 -10.545 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 61 3.131 -8.680 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.769 -8.051 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.892 -7.700 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.241 -8.606 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.537 -10.257 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.067 -9.790 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.564 -5.726 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.205 -6.265 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.064 -6.622 -3.850 1.00 0.00 H new ATOM 298 N PRO A 62 3.216 -12.350 -4.893 1.00 0.00 N ATOM 299 CA PRO A 62 2.660 -13.502 -5.610 1.00 0.00 C ATOM 300 C PRO A 62 1.362 -13.162 -6.335 1.00 0.00 C ATOM 301 O PRO A 62 0.722 -12.153 -6.040 1.00 0.00 O ATOM 302 CB PRO A 62 2.400 -14.521 -4.498 1.00 0.00 C ATOM 303 CG PRO A 62 2.222 -13.700 -3.267 1.00 0.00 C ATOM 304 CD PRO A 62 3.120 -12.505 -3.432 1.00 0.00 C ATOM 0 HA PRO A 62 3.334 -13.862 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.513 -15.118 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.234 -15.215 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.183 -13.394 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.489 -14.269 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.698 -11.617 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.098 -12.672 -2.980 1.00 0.00 H new ATOM 312 N ARG A 63 0.980 -14.010 -7.284 1.00 0.00 N ATOM 313 CA ARG A 63 -0.241 -13.799 -8.051 1.00 0.00 C ATOM 314 C ARG A 63 -1.418 -14.529 -7.411 1.00 0.00 C ATOM 315 O ARG A 63 -2.210 -15.173 -8.098 1.00 0.00 O ATOM 316 CB ARG A 63 -0.053 -14.278 -9.492 1.00 0.00 C ATOM 317 CG ARG A 63 0.243 -15.764 -9.606 1.00 0.00 C ATOM 318 CD ARG A 63 -0.175 -16.313 -10.961 1.00 0.00 C ATOM 319 NE ARG A 63 0.777 -15.964 -12.011 1.00 0.00 N ATOM 320 CZ ARG A 63 0.724 -16.454 -13.244 1.00 0.00 C ATOM 321 NH1 ARG A 63 -0.231 -17.310 -13.580 1.00 0.00 N ATOM 322 NH2 ARG A 63 1.627 -16.088 -14.145 1.00 0.00 N ATOM 0 H ARG A 63 1.499 -14.850 -7.540 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.457 -12.731 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.954 -14.051 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.763 -13.718 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.309 -15.936 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.282 -16.302 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.266 -17.398 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.160 -15.925 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 63 1.524 -15.307 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.927 -17.594 -12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.269 -17.685 -14.528 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.363 -15.429 -13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.585 -16.465 -15.092 1.00 0.00 H new ATOM 336 N ASN A 64 -1.526 -14.423 -6.091 1.00 0.00 N ATOM 337 CA ASN A 64 -2.606 -15.073 -5.357 1.00 0.00 C ATOM 338 C ASN A 64 -3.233 -14.116 -4.349 1.00 0.00 C ATOM 339 O ASN A 64 -4.018 -14.525 -3.492 1.00 0.00 O ATOM 340 CB ASN A 64 -2.084 -16.319 -4.638 1.00 0.00 C ATOM 341 CG ASN A 64 -0.748 -16.080 -3.963 1.00 0.00 C ATOM 342 OD1 ASN A 64 0.222 -16.796 -4.211 1.00 0.00 O ATOM 343 ND2 ASN A 64 -0.691 -15.068 -3.105 1.00 0.00 N ATOM 0 H ASN A 64 -0.879 -13.893 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.372 -15.369 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.813 -16.637 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.985 -17.134 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.182 -14.858 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.520 -14.500 -2.930 1.00 0.00 H new ATOM 350 N LEU A 65 -2.883 -12.839 -4.457 1.00 0.00 N ATOM 351 CA LEU A 65 -3.411 -11.821 -3.555 1.00 0.00 C ATOM 352 C LEU A 65 -4.536 -11.035 -4.221 1.00 0.00 C ATOM 353 O LEU A 65 -4.846 -11.247 -5.393 1.00 0.00 O ATOM 354 CB LEU A 65 -2.296 -10.868 -3.120 1.00 0.00 C ATOM 355 CG LEU A 65 -1.147 -11.496 -2.330 1.00 0.00 C ATOM 356 CD1 LEU A 65 -0.138 -10.435 -1.921 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.679 -12.230 -1.108 1.00 0.00 C ATOM 0 H LEU A 65 -2.236 -12.484 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.814 -12.324 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.882 -10.394 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.737 -10.077 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.642 -12.219 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.672 -10.901 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.267 -9.955 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.629 -9.688 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.848 -12.671 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.209 -11.528 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.362 -13.018 -1.426 1.00 0.00 H new ATOM 369 N ASP A 66 -5.143 -10.126 -3.465 1.00 0.00 N ATOM 370 CA ASP A 66 -6.232 -9.306 -3.983 1.00 0.00 C ATOM 371 C ASP A 66 -6.118 -7.870 -3.478 1.00 0.00 C ATOM 372 O ASP A 66 -5.260 -7.560 -2.653 1.00 0.00 O ATOM 373 CB ASP A 66 -7.582 -9.897 -3.576 1.00 0.00 C ATOM 374 CG ASP A 66 -8.672 -9.601 -4.587 1.00 0.00 C ATOM 375 OD1 ASP A 66 -8.361 -9.544 -5.795 1.00 0.00 O ATOM 376 OD2 ASP A 66 -9.837 -9.426 -4.171 1.00 0.00 O ATOM 0 H ASP A 66 -4.899 -9.939 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.162 -9.297 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.482 -10.976 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.873 -9.496 -2.605 1.00 0.00 H new ATOM 381 N GLU A 67 -6.989 -7.001 -3.980 1.00 0.00 N ATOM 382 CA GLU A 67 -6.984 -5.598 -3.581 1.00 0.00 C ATOM 383 C GLU A 67 -7.585 -5.427 -2.189 1.00 0.00 C ATOM 384 O GLU A 67 -7.101 -4.630 -1.385 1.00 0.00 O ATOM 385 CB GLU A 67 -7.762 -4.754 -4.592 1.00 0.00 C ATOM 386 CG GLU A 67 -6.941 -4.347 -5.804 1.00 0.00 C ATOM 387 CD GLU A 67 -6.940 -5.404 -6.891 1.00 0.00 C ATOM 388 OE1 GLU A 67 -7.138 -6.593 -6.561 1.00 0.00 O ATOM 389 OE2 GLU A 67 -6.743 -5.044 -8.070 1.00 0.00 O ATOM 0 H GLU A 67 -7.707 -7.243 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.949 -5.257 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.634 -5.315 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.131 -3.857 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.336 -3.415 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.915 -4.150 -5.493 1.00 0.00 H new ATOM 396 N LYS A 68 -8.644 -6.180 -1.912 1.00 0.00 N ATOM 397 CA LYS A 68 -9.313 -6.113 -0.618 1.00 0.00 C ATOM 398 C LYS A 68 -8.458 -6.755 0.470 1.00 0.00 C ATOM 399 O LYS A 68 -8.649 -6.493 1.658 1.00 0.00 O ATOM 400 CB LYS A 68 -10.674 -6.809 -0.688 1.00 0.00 C ATOM 401 CG LYS A 68 -11.460 -6.740 0.610 1.00 0.00 C ATOM 402 CD LYS A 68 -12.101 -5.376 0.803 1.00 0.00 C ATOM 403 CE LYS A 68 -13.169 -5.410 1.885 1.00 0.00 C ATOM 404 NZ LYS A 68 -14.060 -4.218 1.822 1.00 0.00 N ATOM 0 H LYS A 68 -9.058 -6.844 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.461 -5.063 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.264 -6.356 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.525 -7.855 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.232 -7.509 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.798 -6.954 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.335 -4.647 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.544 -5.045 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.766 -6.316 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.693 -5.456 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.774 -4.278 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.494 -3.355 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.534 -4.188 0.897 1.00 0.00 H new ATOM 418 N ASP A 69 -7.515 -7.595 0.057 1.00 0.00 N ATOM 419 CA ASP A 69 -6.629 -8.272 0.997 1.00 0.00 C ATOM 420 C ASP A 69 -5.355 -7.463 1.222 1.00 0.00 C ATOM 421 O ASP A 69 -4.677 -7.623 2.237 1.00 0.00 O ATOM 422 CB ASP A 69 -6.277 -9.668 0.483 1.00 0.00 C ATOM 423 CG ASP A 69 -7.257 -10.724 0.956 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.336 -10.850 0.340 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.945 -11.423 1.942 1.00 0.00 O ATOM 0 H ASP A 69 -7.345 -7.823 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.152 -8.365 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.258 -9.656 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.274 -9.932 0.817 1.00 0.00 H new ATOM 430 N LEU A 70 -5.036 -6.595 0.268 1.00 0.00 N ATOM 431 CA LEU A 70 -3.842 -5.761 0.361 1.00 0.00 C ATOM 432 C LEU A 70 -4.181 -4.386 0.928 1.00 0.00 C ATOM 433 O LEU A 70 -3.377 -3.778 1.634 1.00 0.00 O ATOM 434 CB LEU A 70 -3.192 -5.612 -1.015 1.00 0.00 C ATOM 435 CG LEU A 70 -2.336 -6.789 -1.485 1.00 0.00 C ATOM 436 CD1 LEU A 70 -2.128 -6.730 -2.990 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.998 -6.798 -0.760 1.00 0.00 C ATOM 0 H LEU A 70 -5.587 -6.450 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.140 -6.249 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.979 -5.445 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.570 -4.717 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.862 -7.714 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.517 -7.575 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.094 -6.773 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.624 -5.800 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.402 -7.642 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.466 -5.869 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.166 -6.889 0.313 1.00 0.00 H new ATOM 449 N LYS A 71 -5.379 -3.903 0.616 1.00 0.00 N ATOM 450 CA LYS A 71 -5.828 -2.601 1.097 1.00 0.00 C ATOM 451 C LYS A 71 -5.670 -2.496 2.610 1.00 0.00 C ATOM 452 O LYS A 71 -5.197 -1.491 3.141 1.00 0.00 O ATOM 453 CB LYS A 71 -7.290 -2.367 0.708 1.00 0.00 C ATOM 454 CG LYS A 71 -7.689 -0.902 0.695 1.00 0.00 C ATOM 455 CD LYS A 71 -9.084 -0.709 0.125 1.00 0.00 C ATOM 456 CE LYS A 71 -9.531 0.741 0.225 1.00 0.00 C ATOM 457 NZ LYS A 71 -10.526 1.089 -0.827 1.00 0.00 N ATOM 0 H LYS A 71 -6.057 -4.393 0.032 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.208 -1.835 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.467 -2.792 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.933 -2.904 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.651 -0.505 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.971 -0.334 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.099 -1.024 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.788 -1.346 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.965 0.920 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.664 1.395 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.805 2.086 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.104 0.943 -1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.365 0.482 -0.726 1.00 0.00 H new ATOM 471 N PRO A 72 -6.074 -3.557 3.323 1.00 0.00 N ATOM 472 CA PRO A 72 -5.985 -3.609 4.786 1.00 0.00 C ATOM 473 C PRO A 72 -4.616 -3.177 5.299 1.00 0.00 C ATOM 474 O PRO A 72 -4.495 -2.177 6.009 1.00 0.00 O ATOM 475 CB PRO A 72 -6.234 -5.085 5.104 1.00 0.00 C ATOM 476 CG PRO A 72 -7.045 -5.588 3.961 1.00 0.00 C ATOM 477 CD PRO A 72 -6.648 -4.790 2.757 1.00 0.00 C ATOM 0 HA PRO A 72 -6.693 -2.931 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.297 -5.634 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.766 -5.202 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.863 -6.650 3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.110 -5.475 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.922 -5.325 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.506 -4.575 2.119 1.00 0.00 H new ATOM 485 N LEU A 73 -3.587 -3.934 4.936 1.00 0.00 N ATOM 486 CA LEU A 73 -2.225 -3.629 5.360 1.00 0.00 C ATOM 487 C LEU A 73 -1.975 -2.125 5.346 1.00 0.00 C ATOM 488 O LEU A 73 -1.914 -1.485 6.396 1.00 0.00 O ATOM 489 CB LEU A 73 -1.217 -4.334 4.450 1.00 0.00 C ATOM 490 CG LEU A 73 -1.131 -5.853 4.593 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.387 -6.460 3.414 1.00 0.00 C ATOM 492 CD2 LEU A 73 -0.454 -6.228 5.903 1.00 0.00 C ATOM 0 H LEU A 73 -3.670 -4.764 4.349 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.098 -3.990 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.467 -4.100 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.229 -3.915 4.642 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.144 -6.255 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.336 -7.542 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.914 -6.222 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.623 -6.052 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.402 -7.313 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.554 -5.813 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.029 -5.826 6.738 1.00 0.00 H new ATOM 504 N PHE A 74 -1.833 -1.564 4.149 1.00 0.00 N ATOM 505 CA PHE A 74 -1.591 -0.134 3.998 1.00 0.00 C ATOM 506 C PHE A 74 -2.699 0.678 4.662 1.00 0.00 C ATOM 507 O PHE A 74 -2.440 1.491 5.549 1.00 0.00 O ATOM 508 CB PHE A 74 -1.491 0.234 2.517 1.00 0.00 C ATOM 509 CG PHE A 74 -0.522 -0.621 1.751 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.843 -0.413 1.860 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.977 -1.633 0.921 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.737 -1.198 1.156 1.00 0.00 C ATOM 513 CE2 PHE A 74 -0.088 -2.422 0.216 1.00 0.00 C ATOM 514 CZ PHE A 74 1.271 -2.203 0.332 1.00 0.00 C ATOM 0 H PHE A 74 -1.881 -2.078 3.270 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.647 0.103 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.478 0.148 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.190 1.278 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.213 0.372 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.038 -1.807 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.799 -1.025 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.456 -3.209 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.967 -2.816 -0.221 1.00 0.00 H new ATOM 524 N GLU A 75 -3.934 0.452 4.224 1.00 0.00 N ATOM 525 CA GLU A 75 -5.081 1.164 4.775 1.00 0.00 C ATOM 526 C GLU A 75 -4.906 1.402 6.272 1.00 0.00 C ATOM 527 O GLU A 75 -5.405 2.387 6.816 1.00 0.00 O ATOM 528 CB GLU A 75 -6.368 0.376 4.520 1.00 0.00 C ATOM 529 CG GLU A 75 -7.608 1.031 5.106 1.00 0.00 C ATOM 530 CD GLU A 75 -8.852 0.180 4.936 1.00 0.00 C ATOM 531 OE1 GLU A 75 -9.387 0.128 3.809 1.00 0.00 O ATOM 532 OE2 GLU A 75 -9.290 -0.434 5.932 1.00 0.00 O ATOM 0 H GLU A 75 -4.165 -0.218 3.490 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.150 2.131 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.504 0.256 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.262 -0.624 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.446 1.224 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.765 1.997 4.627 1.00 0.00 H new ATOM 539 N GLU A 76 -4.194 0.493 6.931 1.00 0.00 N ATOM 540 CA GLU A 76 -3.955 0.604 8.365 1.00 0.00 C ATOM 541 C GLU A 76 -2.951 1.714 8.665 1.00 0.00 C ATOM 542 O GLU A 76 -3.158 2.527 9.565 1.00 0.00 O ATOM 543 CB GLU A 76 -3.444 -0.726 8.924 1.00 0.00 C ATOM 544 CG GLU A 76 -3.563 -0.837 10.434 1.00 0.00 C ATOM 545 CD GLU A 76 -4.893 -0.327 10.954 1.00 0.00 C ATOM 546 OE1 GLU A 76 -5.935 -0.920 10.603 1.00 0.00 O ATOM 547 OE2 GLU A 76 -4.893 0.666 11.712 1.00 0.00 O ATOM 0 H GLU A 76 -3.773 -0.328 6.495 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.901 0.853 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.001 -1.542 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.399 -0.852 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.437 -1.879 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.755 -0.274 10.901 1.00 0.00 H new ATOM 554 N PHE A 77 -1.862 1.739 7.903 1.00 0.00 N ATOM 555 CA PHE A 77 -0.824 2.747 8.087 1.00 0.00 C ATOM 556 C PHE A 77 -1.260 4.089 7.506 1.00 0.00 C ATOM 557 O PHE A 77 -1.081 5.135 8.129 1.00 0.00 O ATOM 558 CB PHE A 77 0.480 2.293 7.429 1.00 0.00 C ATOM 559 CG PHE A 77 1.363 1.488 8.339 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.155 2.113 9.289 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.401 0.106 8.245 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.968 1.375 10.128 1.00 0.00 C ATOM 563 CE2 PHE A 77 2.211 -0.637 9.082 1.00 0.00 C ATOM 564 CZ PHE A 77 2.997 -0.002 10.024 1.00 0.00 C ATOM 0 H PHE A 77 -1.676 1.073 7.153 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.659 2.871 9.157 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.244 1.699 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.029 3.170 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.137 3.189 9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.790 -0.396 7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.580 1.874 10.864 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.230 -1.714 9.000 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.633 -0.581 10.678 1.00 0.00 H new ATOM 574 N GLY A 78 -1.833 4.050 6.307 1.00 0.00 N ATOM 575 CA GLY A 78 -2.285 5.268 5.661 1.00 0.00 C ATOM 576 C GLY A 78 -3.596 5.082 4.925 1.00 0.00 C ATOM 577 O GLY A 78 -3.884 3.998 4.417 1.00 0.00 O ATOM 0 H GLY A 78 -1.992 3.197 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.400 6.051 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.523 5.608 4.959 1.00 0.00 H new ATOM 581 N LYS A 79 -4.396 6.141 4.867 1.00 0.00 N ATOM 582 CA LYS A 79 -5.686 6.091 4.187 1.00 0.00 C ATOM 583 C LYS A 79 -5.501 5.999 2.676 1.00 0.00 C ATOM 584 O LYS A 79 -5.445 7.017 1.986 1.00 0.00 O ATOM 585 CB LYS A 79 -6.518 7.327 4.536 1.00 0.00 C ATOM 586 CG LYS A 79 -8.007 7.145 4.296 1.00 0.00 C ATOM 587 CD LYS A 79 -8.768 8.442 4.512 1.00 0.00 C ATOM 588 CE LYS A 79 -10.257 8.190 4.695 1.00 0.00 C ATOM 589 NZ LYS A 79 -10.956 8.019 3.391 1.00 0.00 N ATOM 0 H LYS A 79 -4.174 7.045 5.283 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.213 5.199 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.356 7.580 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.164 8.172 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.172 6.790 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.394 6.379 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.374 8.955 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.612 9.103 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.402 7.298 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.702 9.023 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.968 7.849 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.840 8.880 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.549 7.208 2.883 1.00 0.00 H new ATOM 603 N ILE A 80 -5.409 4.775 2.169 1.00 0.00 N ATOM 604 CA ILE A 80 -5.234 4.551 0.739 1.00 0.00 C ATOM 605 C ILE A 80 -6.135 5.474 -0.076 1.00 0.00 C ATOM 606 O ILE A 80 -7.301 5.679 0.264 1.00 0.00 O ATOM 607 CB ILE A 80 -5.535 3.090 0.356 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.614 2.140 1.124 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.377 2.893 -1.144 1.00 0.00 C ATOM 610 CD1 ILE A 80 -5.082 0.701 1.108 1.00 0.00 C ATOM 0 H ILE A 80 -5.453 3.922 2.727 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.191 4.770 0.511 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.567 2.863 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.613 2.193 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.538 2.477 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.593 1.856 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.070 3.548 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.355 3.134 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.382 0.084 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.071 0.635 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.131 0.346 0.079 1.00 0.00 H new ATOM 622 N TYR A 81 -5.587 6.026 -1.152 1.00 0.00 N ATOM 623 CA TYR A 81 -6.340 6.928 -2.016 1.00 0.00 C ATOM 624 C TYR A 81 -6.740 6.232 -3.314 1.00 0.00 C ATOM 625 O TYR A 81 -7.839 6.439 -3.828 1.00 0.00 O ATOM 626 CB TYR A 81 -5.515 8.177 -2.328 1.00 0.00 C ATOM 627 CG TYR A 81 -6.061 8.992 -3.479 1.00 0.00 C ATOM 628 CD1 TYR A 81 -7.159 9.826 -3.306 1.00 0.00 C ATOM 629 CD2 TYR A 81 -5.480 8.927 -4.739 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.662 10.571 -4.355 1.00 0.00 C ATOM 631 CE2 TYR A 81 -5.975 9.670 -5.793 1.00 0.00 C ATOM 632 CZ TYR A 81 -7.066 10.490 -5.596 1.00 0.00 C ATOM 633 OH TYR A 81 -7.564 11.231 -6.644 1.00 0.00 O ATOM 0 H TYR A 81 -4.624 5.865 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.247 7.222 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.471 8.805 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.492 7.878 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.627 9.893 -2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.627 8.284 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.517 11.213 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.510 9.609 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.030 11.061 -7.448 1.00 0.00 H new ATOM 643 N GLU A 82 -5.840 5.405 -3.836 1.00 0.00 N ATOM 644 CA GLU A 82 -6.098 4.678 -5.073 1.00 0.00 C ATOM 645 C GLU A 82 -5.160 3.482 -5.208 1.00 0.00 C ATOM 646 O GLU A 82 -3.949 3.643 -5.369 1.00 0.00 O ATOM 647 CB GLU A 82 -5.935 5.606 -6.279 1.00 0.00 C ATOM 648 CG GLU A 82 -6.786 5.207 -7.473 1.00 0.00 C ATOM 649 CD GLU A 82 -6.967 6.339 -8.465 1.00 0.00 C ATOM 650 OE1 GLU A 82 -6.904 7.513 -8.045 1.00 0.00 O ATOM 651 OE2 GLU A 82 -7.171 6.050 -9.663 1.00 0.00 O ATOM 0 H GLU A 82 -4.926 5.222 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.124 4.311 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.194 6.622 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.887 5.618 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.323 4.358 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.764 4.876 -7.123 1.00 0.00 H new ATOM 658 N LEU A 83 -5.727 2.283 -5.139 1.00 0.00 N ATOM 659 CA LEU A 83 -4.942 1.058 -5.252 1.00 0.00 C ATOM 660 C LEU A 83 -5.154 0.399 -6.611 1.00 0.00 C ATOM 661 O LEU A 83 -6.278 0.324 -7.109 1.00 0.00 O ATOM 662 CB LEU A 83 -5.318 0.083 -4.135 1.00 0.00 C ATOM 663 CG LEU A 83 -4.718 -1.320 -4.239 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.248 -1.301 -3.853 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.489 -2.296 -3.362 1.00 0.00 C ATOM 0 H LEU A 83 -6.727 2.132 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.888 1.321 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.013 0.517 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.404 -0.009 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.797 -1.652 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.838 -2.308 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.705 -0.634 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.146 -0.948 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.048 -3.289 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.442 -1.967 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.529 -2.331 -3.685 1.00 0.00 H new ATOM 677 N THR A 84 -4.067 -0.080 -7.208 1.00 0.00 N ATOM 678 CA THR A 84 -4.133 -0.733 -8.508 1.00 0.00 C ATOM 679 C THR A 84 -3.142 -1.888 -8.595 1.00 0.00 C ATOM 680 O THR A 84 -1.940 -1.704 -8.406 1.00 0.00 O ATOM 681 CB THR A 84 -3.848 0.259 -9.651 1.00 0.00 C ATOM 682 OG1 THR A 84 -4.890 1.239 -9.721 1.00 0.00 O ATOM 683 CG2 THR A 84 -3.737 -0.467 -10.983 1.00 0.00 C ATOM 0 H THR A 84 -3.129 -0.027 -6.810 1.00 0.00 H new ATOM 0 HA THR A 84 -5.147 -1.119 -8.616 1.00 0.00 H new ATOM 0 HB THR A 84 -2.899 0.753 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.700 1.867 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.536 0.254 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.924 -1.191 -10.936 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.672 -0.985 -11.194 1.00 0.00 H new ATOM 691 N VAL A 85 -3.654 -3.081 -8.882 1.00 0.00 N ATOM 692 CA VAL A 85 -2.814 -4.267 -8.995 1.00 0.00 C ATOM 693 C VAL A 85 -2.294 -4.439 -10.418 1.00 0.00 C ATOM 694 O VAL A 85 -2.977 -4.999 -11.276 1.00 0.00 O ATOM 695 CB VAL A 85 -3.578 -5.539 -8.582 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.714 -6.773 -8.791 1.00 0.00 C ATOM 697 CG2 VAL A 85 -4.038 -5.438 -7.135 1.00 0.00 C ATOM 0 H VAL A 85 -4.647 -3.251 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.972 -4.123 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.461 -5.633 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.271 -7.662 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.440 -6.851 -9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.811 -6.692 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.576 -6.345 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.171 -5.319 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.697 -4.577 -7.022 1.00 0.00 H new ATOM 707 N LEU A 86 -1.082 -3.953 -10.662 1.00 0.00 N ATOM 708 CA LEU A 86 -0.469 -4.053 -11.982 1.00 0.00 C ATOM 709 C LEU A 86 -0.571 -5.476 -12.523 1.00 0.00 C ATOM 710 O LEU A 86 0.202 -6.354 -12.141 1.00 0.00 O ATOM 711 CB LEU A 86 0.997 -3.623 -11.919 1.00 0.00 C ATOM 712 CG LEU A 86 1.253 -2.167 -11.528 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.707 -1.970 -11.127 1.00 0.00 C ATOM 714 CD2 LEU A 86 0.882 -1.234 -12.671 1.00 0.00 C ATOM 0 H LEU A 86 -0.504 -3.486 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.007 -3.388 -12.657 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.513 -4.266 -11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.449 -3.801 -12.895 1.00 0.00 H new ATOM 0 HG LEU A 86 0.625 -1.925 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.871 -0.928 -10.852 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.940 -2.611 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.354 -2.230 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.071 -0.202 -12.374 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.483 -1.475 -13.548 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.174 -1.355 -12.911 1.00 0.00 H new ATOM 726 N LYS A 87 -1.529 -5.696 -13.417 1.00 0.00 N ATOM 727 CA LYS A 87 -1.731 -7.010 -14.015 1.00 0.00 C ATOM 728 C LYS A 87 -1.955 -6.895 -15.520 1.00 0.00 C ATOM 729 O LYS A 87 -2.702 -6.032 -15.981 1.00 0.00 O ATOM 730 CB LYS A 87 -2.924 -7.712 -13.363 1.00 0.00 C ATOM 731 CG LYS A 87 -4.266 -7.109 -13.742 1.00 0.00 C ATOM 732 CD LYS A 87 -5.385 -7.641 -12.863 1.00 0.00 C ATOM 733 CE LYS A 87 -5.438 -6.915 -11.527 1.00 0.00 C ATOM 734 NZ LYS A 87 -5.910 -5.511 -11.678 1.00 0.00 N ATOM 0 H LYS A 87 -2.178 -4.980 -13.744 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.831 -7.601 -13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.915 -8.764 -13.646 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.810 -7.673 -12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.217 -6.024 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.485 -7.333 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.339 -7.527 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.240 -8.708 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.102 -7.451 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.447 -6.918 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.613 -5.300 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.103 -4.862 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.344 -5.390 -12.615 1.00 0.00 H new ATOM 748 N ASP A 88 -1.306 -7.771 -16.279 1.00 0.00 N ATOM 749 CA ASP A 88 -1.437 -7.769 -17.731 1.00 0.00 C ATOM 750 C ASP A 88 -2.731 -8.453 -18.161 1.00 0.00 C ATOM 751 O ASP A 88 -3.462 -8.995 -17.333 1.00 0.00 O ATOM 752 CB ASP A 88 -0.238 -8.468 -18.373 1.00 0.00 C ATOM 753 CG ASP A 88 0.094 -7.909 -19.743 1.00 0.00 C ATOM 754 OD1 ASP A 88 -0.769 -7.221 -20.328 1.00 0.00 O ATOM 755 OD2 ASP A 88 1.217 -8.157 -20.229 1.00 0.00 O ATOM 0 H ASP A 88 -0.684 -8.492 -15.913 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.466 -6.733 -18.067 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.630 -8.365 -17.722 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.447 -9.534 -18.460 1.00 0.00 H new ATOM 760 N ARG A 89 -3.007 -8.421 -19.460 1.00 0.00 N ATOM 761 CA ARG A 89 -4.214 -9.036 -20.000 1.00 0.00 C ATOM 762 C ARG A 89 -3.874 -9.993 -21.139 1.00 0.00 C ATOM 763 O ARG A 89 -4.752 -10.663 -21.683 1.00 0.00 O ATOM 764 CB ARG A 89 -5.183 -7.960 -20.495 1.00 0.00 C ATOM 765 CG ARG A 89 -5.370 -6.813 -19.516 1.00 0.00 C ATOM 766 CD ARG A 89 -6.453 -5.853 -19.984 1.00 0.00 C ATOM 767 NE ARG A 89 -6.782 -4.859 -18.965 1.00 0.00 N ATOM 768 CZ ARG A 89 -7.319 -3.676 -19.239 1.00 0.00 C ATOM 769 NH1 ARG A 89 -7.588 -3.341 -20.493 1.00 0.00 N ATOM 770 NH2 ARG A 89 -7.590 -2.826 -18.257 1.00 0.00 N ATOM 0 H ARG A 89 -2.412 -7.976 -20.158 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.690 -9.604 -19.201 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.818 -7.562 -21.442 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.152 -8.419 -20.694 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.632 -7.209 -18.535 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.429 -6.274 -19.401 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.121 -5.347 -20.890 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.349 -6.416 -20.243 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.589 -5.086 -17.990 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.382 -3.993 -21.250 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.001 -2.432 -20.701 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.386 -3.081 -17.291 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.003 -1.917 -18.468 1.00 0.00 H new ATOM 784 N PHE A 90 -2.595 -10.050 -21.495 1.00 0.00 N ATOM 785 CA PHE A 90 -2.140 -10.923 -22.570 1.00 0.00 C ATOM 786 C PHE A 90 -1.415 -12.144 -22.010 1.00 0.00 C ATOM 787 O PHE A 90 -1.915 -13.266 -22.083 1.00 0.00 O ATOM 788 CB PHE A 90 -1.215 -10.159 -23.520 1.00 0.00 C ATOM 789 CG PHE A 90 -1.920 -9.101 -24.320 1.00 0.00 C ATOM 790 CD1 PHE A 90 -2.601 -8.073 -23.687 1.00 0.00 C ATOM 791 CD2 PHE A 90 -1.902 -9.134 -25.705 1.00 0.00 C ATOM 792 CE1 PHE A 90 -3.251 -7.099 -24.421 1.00 0.00 C ATOM 793 CE2 PHE A 90 -2.550 -8.162 -26.444 1.00 0.00 C ATOM 794 CZ PHE A 90 -3.224 -7.143 -25.801 1.00 0.00 C ATOM 0 H PHE A 90 -1.856 -9.502 -21.055 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.016 -11.264 -23.122 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.417 -9.694 -22.942 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.744 -10.866 -24.203 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.624 -8.033 -22.608 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.376 -9.928 -26.213 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.780 -6.304 -23.916 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.529 -8.200 -27.523 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.729 -6.381 -26.376 1.00 0.00 H new ATOM 804 N THR A 91 -0.231 -11.916 -21.449 1.00 0.00 N ATOM 805 CA THR A 91 0.565 -12.995 -20.877 1.00 0.00 C ATOM 806 C THR A 91 1.011 -12.657 -19.460 1.00 0.00 C ATOM 807 O THR A 91 1.123 -13.537 -18.607 1.00 0.00 O ATOM 808 CB THR A 91 1.807 -13.293 -21.738 1.00 0.00 C ATOM 809 OG1 THR A 91 2.602 -14.308 -21.115 1.00 0.00 O ATOM 810 CG2 THR A 91 2.643 -12.037 -21.936 1.00 0.00 C ATOM 0 H THR A 91 0.198 -10.993 -21.379 1.00 0.00 H new ATOM 0 HA THR A 91 -0.071 -13.880 -20.853 1.00 0.00 H new ATOM 0 HB THR A 91 1.470 -13.643 -22.714 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.389 -14.493 -21.669 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.514 -12.273 -22.547 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.044 -11.276 -22.436 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.970 -11.661 -20.967 1.00 0.00 H new ATOM 818 N GLY A 92 1.265 -11.375 -19.214 1.00 0.00 N ATOM 819 CA GLY A 92 1.697 -10.944 -17.897 1.00 0.00 C ATOM 820 C GLY A 92 0.562 -10.928 -16.892 1.00 0.00 C ATOM 821 O GLY A 92 0.392 -9.957 -16.154 1.00 0.00 O ATOM 0 H GLY A 92 1.179 -10.628 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.485 -11.608 -17.541 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.130 -9.946 -17.968 1.00 0.00 H new ATOM 825 N MET A 93 -0.216 -12.004 -16.863 1.00 0.00 N ATOM 826 CA MET A 93 -1.341 -12.110 -15.941 1.00 0.00 C ATOM 827 C MET A 93 -1.035 -11.397 -14.627 1.00 0.00 C ATOM 828 O MET A 93 -1.837 -10.600 -14.141 1.00 0.00 O ATOM 829 CB MET A 93 -1.672 -13.579 -15.672 1.00 0.00 C ATOM 830 CG MET A 93 -2.510 -14.222 -16.765 1.00 0.00 C ATOM 831 SD MET A 93 -2.925 -15.939 -16.401 1.00 0.00 S ATOM 832 CE MET A 93 -4.677 -15.950 -16.776 1.00 0.00 C ATOM 0 H MET A 93 -0.088 -12.816 -17.467 1.00 0.00 H new ATOM 0 HA MET A 93 -2.204 -11.630 -16.403 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.743 -14.138 -15.561 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.205 -13.655 -14.724 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.429 -13.650 -16.897 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.967 -14.176 -17.709 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.081 -16.947 -16.600 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.191 -15.232 -16.136 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.827 -15.677 -17.821 1.00 0.00 H new ATOM 842 N HIS A 94 0.130 -11.689 -14.057 1.00 0.00 N ATOM 843 CA HIS A 94 0.541 -11.076 -12.800 1.00 0.00 C ATOM 844 C HIS A 94 1.995 -10.617 -12.869 1.00 0.00 C ATOM 845 O HIS A 94 2.883 -11.246 -12.293 1.00 0.00 O ATOM 846 CB HIS A 94 0.359 -12.060 -11.644 1.00 0.00 C ATOM 847 CG HIS A 94 0.331 -11.404 -10.298 1.00 0.00 C ATOM 848 ND1 HIS A 94 1.363 -11.508 -9.389 1.00 0.00 N ATOM 849 CD2 HIS A 94 -0.611 -10.632 -9.709 1.00 0.00 C ATOM 850 CE1 HIS A 94 1.055 -10.829 -8.298 1.00 0.00 C ATOM 851 NE2 HIS A 94 -0.138 -10.287 -8.467 1.00 0.00 N ATOM 0 H HIS A 94 0.806 -12.346 -14.446 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.089 -10.204 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.570 -12.611 -11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.169 -12.789 -11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.559 -10.341 -10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.673 -10.733 -7.418 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.628 -9.707 -7.786 1.00 0.00 H new ATOM 859 N LYS A 95 2.231 -9.518 -13.577 1.00 0.00 N ATOM 860 CA LYS A 95 3.576 -8.974 -13.722 1.00 0.00 C ATOM 861 C LYS A 95 4.395 -9.204 -12.456 1.00 0.00 C ATOM 862 O LYS A 95 5.558 -9.599 -12.520 1.00 0.00 O ATOM 863 CB LYS A 95 3.512 -7.478 -14.036 1.00 0.00 C ATOM 864 CG LYS A 95 3.187 -7.174 -15.488 1.00 0.00 C ATOM 865 CD LYS A 95 3.500 -5.730 -15.840 1.00 0.00 C ATOM 866 CE LYS A 95 2.356 -4.803 -15.457 1.00 0.00 C ATOM 867 NZ LYS A 95 2.642 -3.388 -15.824 1.00 0.00 N ATOM 0 H LYS A 95 1.507 -8.986 -14.060 1.00 0.00 H new ATOM 0 HA LYS A 95 4.063 -9.492 -14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.759 -7.014 -13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.469 -7.021 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.758 -7.839 -16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.132 -7.374 -15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.410 -5.418 -15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.693 -5.649 -16.910 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.442 -5.129 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.177 -4.871 -14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.839 -2.788 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.500 -3.068 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.787 -3.318 -16.851 1.00 0.00 H new ATOM 881 N GLY A 96 3.778 -8.955 -11.304 1.00 0.00 N ATOM 882 CA GLY A 96 4.465 -9.142 -10.039 1.00 0.00 C ATOM 883 C GLY A 96 4.733 -7.832 -9.326 1.00 0.00 C ATOM 884 O GLY A 96 5.835 -7.604 -8.825 1.00 0.00 O ATOM 0 H GLY A 96 2.815 -8.627 -11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.866 -9.786 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.410 -9.656 -10.215 1.00 0.00 H new ATOM 888 N CYS A 97 3.725 -6.968 -9.281 1.00 0.00 N ATOM 889 CA CYS A 97 3.858 -5.672 -8.625 1.00 0.00 C ATOM 890 C CYS A 97 2.513 -4.955 -8.561 1.00 0.00 C ATOM 891 O CYS A 97 1.527 -5.411 -9.138 1.00 0.00 O ATOM 892 CB CYS A 97 4.877 -4.805 -9.365 1.00 0.00 C ATOM 893 SG CYS A 97 4.605 -4.706 -11.150 1.00 0.00 S ATOM 0 H CYS A 97 2.807 -7.141 -9.691 1.00 0.00 H new ATOM 0 HA CYS A 97 4.208 -5.842 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.852 -3.798 -8.948 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.876 -5.201 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 97 5.021 -3.555 -11.589 1.00 0.00 H new ATOM 899 N ALA A 98 2.481 -3.830 -7.853 1.00 0.00 N ATOM 900 CA ALA A 98 1.258 -3.050 -7.714 1.00 0.00 C ATOM 901 C ALA A 98 1.568 -1.607 -7.332 1.00 0.00 C ATOM 902 O ALA A 98 2.549 -1.334 -6.639 1.00 0.00 O ATOM 903 CB ALA A 98 0.341 -3.686 -6.679 1.00 0.00 C ATOM 0 H ALA A 98 3.288 -3.439 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 98 0.750 -3.042 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.569 -3.093 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.084 -4.698 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.850 -3.724 -5.716 1.00 0.00 H new ATOM 909 N PHE A 99 0.727 -0.685 -7.789 1.00 0.00 N ATOM 910 CA PHE A 99 0.913 0.732 -7.497 1.00 0.00 C ATOM 911 C PHE A 99 -0.003 1.177 -6.360 1.00 0.00 C ATOM 912 O PHE A 99 -1.209 0.927 -6.386 1.00 0.00 O ATOM 913 CB PHE A 99 0.640 1.572 -8.746 1.00 0.00 C ATOM 914 CG PHE A 99 1.853 1.774 -9.609 1.00 0.00 C ATOM 915 CD1 PHE A 99 3.031 2.262 -9.067 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.815 1.477 -10.961 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.149 2.449 -9.858 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.929 1.661 -11.757 1.00 0.00 C ATOM 919 CZ PHE A 99 4.098 2.149 -11.205 1.00 0.00 C ATOM 0 H PHE A 99 -0.090 -0.894 -8.363 1.00 0.00 H new ATOM 0 HA PHE A 99 1.947 0.881 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.139 1.089 -9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.254 2.545 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.076 2.499 -8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.904 1.097 -11.398 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.061 2.829 -9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.886 1.424 -12.810 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.970 2.295 -11.826 1.00 0.00 H new ATOM 929 N LEU A 100 0.577 1.838 -5.365 1.00 0.00 N ATOM 930 CA LEU A 100 -0.185 2.318 -4.218 1.00 0.00 C ATOM 931 C LEU A 100 -0.029 3.827 -4.053 1.00 0.00 C ATOM 932 O LEU A 100 1.028 4.388 -4.345 1.00 0.00 O ATOM 933 CB LEU A 100 0.269 1.605 -2.943 1.00 0.00 C ATOM 934 CG LEU A 100 -0.370 2.088 -1.640 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.767 1.508 -1.484 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.501 1.715 -0.450 1.00 0.00 C ATOM 0 H LEU A 100 1.573 2.054 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.238 2.097 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.062 0.540 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.350 1.713 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.453 3.174 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.206 1.862 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.388 1.825 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.709 0.420 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.031 2.066 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.615 0.632 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.481 2.179 -0.557 1.00 0.00 H new ATOM 948 N THR A 101 -1.087 4.479 -3.583 1.00 0.00 N ATOM 949 CA THR A 101 -1.067 5.921 -3.378 1.00 0.00 C ATOM 950 C THR A 101 -1.654 6.292 -2.020 1.00 0.00 C ATOM 951 O THR A 101 -2.766 5.886 -1.682 1.00 0.00 O ATOM 952 CB THR A 101 -1.852 6.656 -4.481 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.369 6.263 -5.770 1.00 0.00 O ATOM 954 CG2 THR A 101 -1.723 8.164 -4.324 1.00 0.00 C ATOM 0 H THR A 101 -1.969 4.030 -3.337 1.00 0.00 H new ATOM 0 HA THR A 101 -0.023 6.231 -3.417 1.00 0.00 H new ATOM 0 HB THR A 101 -2.904 6.386 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.874 6.733 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.286 8.662 -5.114 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.118 8.464 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.673 8.448 -4.392 1.00 0.00 H new ATOM 962 N TYR A 102 -0.900 7.066 -1.247 1.00 0.00 N ATOM 963 CA TYR A 102 -1.345 7.490 0.075 1.00 0.00 C ATOM 964 C TYR A 102 -1.921 8.902 0.029 1.00 0.00 C ATOM 965 O TYR A 102 -1.377 9.785 -0.636 1.00 0.00 O ATOM 966 CB TYR A 102 -0.185 7.433 1.070 1.00 0.00 C ATOM 967 CG TYR A 102 0.012 6.070 1.693 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.921 5.549 2.581 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.130 5.302 1.393 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.745 4.304 3.154 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.314 4.055 1.960 1.00 0.00 C ATOM 972 CZ TYR A 102 0.374 3.561 2.840 1.00 0.00 C ATOM 973 OH TYR A 102 0.553 2.320 3.407 1.00 0.00 O ATOM 0 H TYR A 102 0.022 7.412 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.129 6.807 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.733 7.727 0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.359 8.163 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.799 6.127 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.868 5.686 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.479 3.915 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.189 3.471 1.715 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.054 2.218 4.170 1.00 0.00 H new ATOM 983 N CYS A 103 -3.025 9.107 0.740 1.00 0.00 N ATOM 984 CA CYS A 103 -3.676 10.412 0.781 1.00 0.00 C ATOM 985 C CYS A 103 -2.681 11.505 1.156 1.00 0.00 C ATOM 986 O CYS A 103 -2.657 12.572 0.543 1.00 0.00 O ATOM 987 CB CYS A 103 -4.834 10.395 1.779 1.00 0.00 C ATOM 988 SG CYS A 103 -6.346 9.632 1.144 1.00 0.00 S ATOM 0 H CYS A 103 -3.487 8.387 1.295 1.00 0.00 H new ATOM 0 HA CYS A 103 -4.066 10.628 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.519 9.861 2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.055 11.419 2.080 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.227 8.338 1.180 1.00 0.00 H new ATOM 994 N GLU A 104 -1.862 11.231 2.167 1.00 0.00 N ATOM 995 CA GLU A 104 -0.867 12.193 2.625 1.00 0.00 C ATOM 996 C GLU A 104 0.544 11.717 2.292 1.00 0.00 C ATOM 997 O GLU A 104 0.846 10.527 2.383 1.00 0.00 O ATOM 998 CB GLU A 104 -0.998 12.418 4.133 1.00 0.00 C ATOM 999 CG GLU A 104 -2.273 13.143 4.531 1.00 0.00 C ATOM 1000 CD GLU A 104 -2.760 12.750 5.913 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -2.817 11.537 6.200 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -3.082 13.659 6.707 1.00 0.00 O ATOM 0 H GLU A 104 -1.868 10.352 2.684 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.046 13.135 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.965 11.454 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.140 12.992 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.099 14.219 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.052 12.928 3.800 1.00 0.00 H new ATOM 1009 N ARG A 105 1.403 12.654 1.905 1.00 0.00 N ATOM 1010 CA ARG A 105 2.781 12.330 1.557 1.00 0.00 C ATOM 1011 C ARG A 105 3.482 11.623 2.712 1.00 0.00 C ATOM 1012 O ARG A 105 3.904 10.474 2.584 1.00 0.00 O ATOM 1013 CB ARG A 105 3.547 13.601 1.182 1.00 0.00 C ATOM 1014 CG ARG A 105 5.049 13.396 1.070 1.00 0.00 C ATOM 1015 CD ARG A 105 5.744 14.644 0.550 1.00 0.00 C ATOM 1016 NE ARG A 105 6.047 15.589 1.621 1.00 0.00 N ATOM 1017 CZ ARG A 105 7.012 16.499 1.547 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.762 16.588 0.457 1.00 0.00 N ATOM 1019 NH2 ARG A 105 7.227 17.324 2.564 1.00 0.00 N ATOM 0 H ARG A 105 1.169 13.644 1.825 1.00 0.00 H new ATOM 0 HA ARG A 105 2.764 11.658 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.168 13.976 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.348 14.369 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.455 13.132 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.254 12.559 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.667 14.361 0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.110 15.129 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 105 5.487 15.548 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.599 15.957 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.502 17.288 0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.651 17.260 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.968 18.022 2.506 1.00 0.00 H new ATOM 1033 N GLU A 106 3.604 12.318 3.839 1.00 0.00 N ATOM 1034 CA GLU A 106 4.255 11.756 5.016 1.00 0.00 C ATOM 1035 C GLU A 106 3.812 10.314 5.247 1.00 0.00 C ATOM 1036 O GLU A 106 4.640 9.412 5.374 1.00 0.00 O ATOM 1037 CB GLU A 106 3.941 12.601 6.253 1.00 0.00 C ATOM 1038 CG GLU A 106 4.979 12.475 7.355 1.00 0.00 C ATOM 1039 CD GLU A 106 4.690 13.383 8.535 1.00 0.00 C ATOM 1040 OE1 GLU A 106 4.300 14.547 8.305 1.00 0.00 O ATOM 1041 OE2 GLU A 106 4.854 12.930 9.687 1.00 0.00 O ATOM 0 H GLU A 106 3.261 13.271 3.961 1.00 0.00 H new ATOM 0 HA GLU A 106 5.331 11.764 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.862 13.647 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.968 12.307 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.016 11.441 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.963 12.712 6.951 1.00 0.00 H new ATOM 1048 N SER A 107 2.501 10.105 5.299 1.00 0.00 N ATOM 1049 CA SER A 107 1.947 8.774 5.518 1.00 0.00 C ATOM 1050 C SER A 107 2.745 7.721 4.756 1.00 0.00 C ATOM 1051 O SER A 107 3.040 6.648 5.283 1.00 0.00 O ATOM 1052 CB SER A 107 0.480 8.731 5.085 1.00 0.00 C ATOM 1053 OG SER A 107 -0.194 7.633 5.675 1.00 0.00 O ATOM 0 H SER A 107 1.802 10.840 5.192 1.00 0.00 H new ATOM 0 HA SER A 107 2.010 8.552 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.014 9.660 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.420 8.658 3.999 1.00 0.00 H new ATOM 0 HG SER A 107 -1.157 7.717 5.516 1.00 0.00 H new ATOM 1059 N ALA A 108 3.091 8.035 3.512 1.00 0.00 N ATOM 1060 CA ALA A 108 3.857 7.118 2.677 1.00 0.00 C ATOM 1061 C ALA A 108 5.168 6.728 3.351 1.00 0.00 C ATOM 1062 O ALA A 108 5.565 5.562 3.332 1.00 0.00 O ATOM 1063 CB ALA A 108 4.125 7.743 1.316 1.00 0.00 C ATOM 0 H ALA A 108 2.853 8.918 3.060 1.00 0.00 H new ATOM 0 HA ALA A 108 3.267 6.212 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.698 7.047 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.178 7.965 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.692 8.665 1.444 1.00 0.00 H new ATOM 1069 N LEU A 109 5.838 7.709 3.944 1.00 0.00 N ATOM 1070 CA LEU A 109 7.107 7.469 4.623 1.00 0.00 C ATOM 1071 C LEU A 109 6.949 6.414 5.714 1.00 0.00 C ATOM 1072 O LEU A 109 7.704 5.443 5.768 1.00 0.00 O ATOM 1073 CB LEU A 109 7.639 8.769 5.228 1.00 0.00 C ATOM 1074 CG LEU A 109 7.588 10.000 4.323 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.053 11.237 5.077 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.436 9.782 3.078 1.00 0.00 C ATOM 0 H LEU A 109 5.524 8.679 3.969 1.00 0.00 H new ATOM 0 HA LEU A 109 7.821 7.100 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.071 8.984 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.673 8.608 5.532 1.00 0.00 H new ATOM 0 HG LEU A 109 6.555 10.156 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.010 12.103 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.405 11.404 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.078 11.091 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.388 10.668 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.470 9.600 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.058 8.921 2.526 1.00 0.00 H new ATOM 1088 N LYS A 110 5.961 6.611 6.581 1.00 0.00 N ATOM 1089 CA LYS A 110 5.700 5.676 7.669 1.00 0.00 C ATOM 1090 C LYS A 110 5.618 4.245 7.149 1.00 0.00 C ATOM 1091 O LYS A 110 6.436 3.397 7.504 1.00 0.00 O ATOM 1092 CB LYS A 110 4.399 6.045 8.385 1.00 0.00 C ATOM 1093 CG LYS A 110 4.415 7.436 8.997 1.00 0.00 C ATOM 1094 CD LYS A 110 3.075 7.784 9.624 1.00 0.00 C ATOM 1095 CE LYS A 110 3.128 9.123 10.343 1.00 0.00 C ATOM 1096 NZ LYS A 110 3.021 10.267 9.396 1.00 0.00 N ATOM 0 H LYS A 110 5.328 7.410 6.551 1.00 0.00 H new ATOM 0 HA LYS A 110 6.527 5.740 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.573 5.978 7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.206 5.314 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.198 7.493 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.660 8.170 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.307 7.815 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.787 7.003 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.318 9.177 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.062 9.199 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.697 11.008 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.235 9.941 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.055 10.652 9.424 1.00 0.00 H new ATOM 1110 N ALA A 111 4.626 3.983 6.304 1.00 0.00 N ATOM 1111 CA ALA A 111 4.439 2.655 5.733 1.00 0.00 C ATOM 1112 C ALA A 111 5.709 2.172 5.040 1.00 0.00 C ATOM 1113 O ALA A 111 5.983 0.974 4.992 1.00 0.00 O ATOM 1114 CB ALA A 111 3.273 2.660 4.756 1.00 0.00 C ATOM 0 H ALA A 111 3.939 4.673 6.000 1.00 0.00 H new ATOM 0 HA ALA A 111 4.215 1.965 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.145 1.662 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.362 2.954 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.475 3.368 3.952 1.00 0.00 H new ATOM 1120 N GLN A 112 6.481 3.114 4.505 1.00 0.00 N ATOM 1121 CA GLN A 112 7.721 2.783 3.814 1.00 0.00 C ATOM 1122 C GLN A 112 8.766 2.258 4.793 1.00 0.00 C ATOM 1123 O GLN A 112 9.210 1.114 4.689 1.00 0.00 O ATOM 1124 CB GLN A 112 8.264 4.010 3.080 1.00 0.00 C ATOM 1125 CG GLN A 112 7.734 4.154 1.662 1.00 0.00 C ATOM 1126 CD GLN A 112 8.688 4.906 0.756 1.00 0.00 C ATOM 1127 OE1 GLN A 112 9.634 4.331 0.217 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.445 6.200 0.583 1.00 0.00 N ATOM 0 H GLN A 112 6.269 4.111 4.537 1.00 0.00 H new ATOM 0 HA GLN A 112 7.504 2.000 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.009 4.905 3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.352 3.952 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.548 3.164 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.777 4.674 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.649 6.636 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.054 6.758 -0.016 1.00 0.00 H new ATOM 1137 N SER A 113 9.156 3.101 5.743 1.00 0.00 N ATOM 1138 CA SER A 113 10.152 2.724 6.739 1.00 0.00 C ATOM 1139 C SER A 113 9.549 1.792 7.785 1.00 0.00 C ATOM 1140 O SER A 113 10.239 1.333 8.695 1.00 0.00 O ATOM 1141 CB SER A 113 10.723 3.970 7.418 1.00 0.00 C ATOM 1142 OG SER A 113 11.455 4.762 6.499 1.00 0.00 O ATOM 0 H SER A 113 8.797 4.050 5.844 1.00 0.00 H new ATOM 0 HA SER A 113 10.958 2.196 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.912 4.559 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.370 3.674 8.243 1.00 0.00 H new ATOM 0 HG SER A 113 11.808 5.553 6.957 1.00 0.00 H new ATOM 1148 N ALA A 114 8.256 1.516 7.648 1.00 0.00 N ATOM 1149 CA ALA A 114 7.559 0.637 8.579 1.00 0.00 C ATOM 1150 C ALA A 114 7.277 -0.721 7.945 1.00 0.00 C ATOM 1151 O ALA A 114 7.039 -1.706 8.645 1.00 0.00 O ATOM 1152 CB ALA A 114 6.263 1.284 9.045 1.00 0.00 C ATOM 0 H ALA A 114 7.670 1.889 6.901 1.00 0.00 H new ATOM 0 HA ALA A 114 8.204 0.478 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.753 0.617 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.486 2.227 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.621 1.473 8.185 1.00 0.00 H new ATOM 1158 N LEU A 115 7.305 -0.767 6.618 1.00 0.00 N ATOM 1159 CA LEU A 115 7.051 -2.005 5.889 1.00 0.00 C ATOM 1160 C LEU A 115 8.298 -2.458 5.136 1.00 0.00 C ATOM 1161 O LEU A 115 8.641 -3.641 5.138 1.00 0.00 O ATOM 1162 CB LEU A 115 5.891 -1.816 4.911 1.00 0.00 C ATOM 1163 CG LEU A 115 4.564 -1.364 5.523 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.555 -1.041 4.432 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.017 -2.433 6.458 1.00 0.00 C ATOM 0 H LEU A 115 7.501 0.039 6.024 1.00 0.00 H new ATOM 0 HA LEU A 115 6.785 -2.776 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.190 -1.084 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.725 -2.758 4.389 1.00 0.00 H new ATOM 0 HG LEU A 115 4.743 -0.459 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.617 -0.721 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.944 -0.241 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.379 -1.929 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.073 -2.095 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.854 -3.355 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.732 -2.616 7.260 1.00 0.00 H new ATOM 1177 N HIS A 116 8.972 -1.510 4.494 1.00 0.00 N ATOM 1178 CA HIS A 116 10.183 -1.811 3.738 1.00 0.00 C ATOM 1179 C HIS A 116 11.126 -2.693 4.552 1.00 0.00 C ATOM 1180 O HIS A 116 11.456 -2.375 5.694 1.00 0.00 O ATOM 1181 CB HIS A 116 10.894 -0.519 3.337 1.00 0.00 C ATOM 1182 CG HIS A 116 11.947 -0.715 2.289 1.00 0.00 C ATOM 1183 ND1 HIS A 116 11.660 -1.100 0.997 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.292 -0.575 2.349 1.00 0.00 C ATOM 1185 CE1 HIS A 116 12.783 -1.190 0.307 1.00 0.00 C ATOM 1186 NE2 HIS A 116 13.788 -0.876 1.105 1.00 0.00 N ATOM 0 H HIS A 116 8.701 -0.527 4.482 1.00 0.00 H new ATOM 0 HA HIS A 116 9.894 -2.352 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.155 0.193 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.351 -0.076 4.222 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.868 -0.281 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 116 12.865 -1.472 -0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 116 14.773 -0.860 0.840 1.00 0.00 H new ATOM 1194 N GLU A 117 11.554 -3.802 3.956 1.00 0.00 N ATOM 1195 CA GLU A 117 12.457 -4.729 4.627 1.00 0.00 C ATOM 1196 C GLU A 117 12.050 -4.927 6.084 1.00 0.00 C ATOM 1197 O GLU A 117 12.883 -4.855 6.987 1.00 0.00 O ATOM 1198 CB GLU A 117 13.897 -4.216 4.553 1.00 0.00 C ATOM 1199 CG GLU A 117 14.401 -4.020 3.133 1.00 0.00 C ATOM 1200 CD GLU A 117 14.835 -5.319 2.483 1.00 0.00 C ATOM 1201 OE1 GLU A 117 15.183 -6.265 3.222 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.827 -5.391 1.237 1.00 0.00 O ATOM 0 H GLU A 117 11.290 -4.080 3.011 1.00 0.00 H new ATOM 0 HA GLU A 117 12.395 -5.690 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.964 -3.268 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.551 -4.919 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.615 -3.563 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.240 -3.325 3.142 1.00 0.00 H new ATOM 1209 N GLN A 118 10.763 -5.175 6.304 1.00 0.00 N ATOM 1210 CA GLN A 118 10.244 -5.382 7.651 1.00 0.00 C ATOM 1211 C GLN A 118 9.303 -6.581 7.694 1.00 0.00 C ATOM 1212 O GLN A 118 9.348 -7.387 8.624 1.00 0.00 O ATOM 1213 CB GLN A 118 9.516 -4.128 8.138 1.00 0.00 C ATOM 1214 CG GLN A 118 10.419 -3.140 8.857 1.00 0.00 C ATOM 1215 CD GLN A 118 9.983 -1.702 8.662 1.00 0.00 C ATOM 1216 OE1 GLN A 118 9.858 -0.943 9.624 1.00 0.00 O ATOM 1217 NE2 GLN A 118 9.748 -1.318 7.413 1.00 0.00 N ATOM 0 H GLN A 118 10.061 -5.237 5.567 1.00 0.00 H new ATOM 0 HA GLN A 118 11.088 -5.583 8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.055 -3.631 7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.709 -4.424 8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.429 -3.371 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.441 -3.258 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.864 -1.980 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 118 9.451 -0.361 7.221 1.00 0.00 H new ATOM 1226 N LYS A 119 8.449 -6.693 6.682 1.00 0.00 N ATOM 1227 CA LYS A 119 7.496 -7.794 6.603 1.00 0.00 C ATOM 1228 C LYS A 119 7.725 -8.621 5.342 1.00 0.00 C ATOM 1229 O LYS A 119 8.113 -8.091 4.300 1.00 0.00 O ATOM 1230 CB LYS A 119 6.063 -7.257 6.621 1.00 0.00 C ATOM 1231 CG LYS A 119 5.658 -6.561 5.333 1.00 0.00 C ATOM 1232 CD LYS A 119 4.169 -6.705 5.066 1.00 0.00 C ATOM 1233 CE LYS A 119 3.340 -6.096 6.187 1.00 0.00 C ATOM 1234 NZ LYS A 119 3.019 -7.094 7.244 1.00 0.00 N ATOM 0 H LYS A 119 8.397 -6.034 5.905 1.00 0.00 H new ATOM 0 HA LYS A 119 7.647 -8.437 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.377 -8.083 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.956 -6.558 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.917 -5.504 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.220 -6.981 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.919 -6.220 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.918 -7.760 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.884 -5.261 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.415 -5.692 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.005 -7.046 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.253 -8.048 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.574 -6.885 8.098 1.00 0.00 H new ATOM 1248 N THR A 120 7.479 -9.924 5.442 1.00 0.00 N ATOM 1249 CA THR A 120 7.658 -10.824 4.310 1.00 0.00 C ATOM 1250 C THR A 120 6.373 -11.587 4.006 1.00 0.00 C ATOM 1251 O THR A 120 5.683 -12.048 4.916 1.00 0.00 O ATOM 1252 CB THR A 120 8.792 -11.834 4.568 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.936 -11.158 5.102 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.177 -12.556 3.286 1.00 0.00 C ATOM 0 H THR A 120 7.155 -10.379 6.296 1.00 0.00 H new ATOM 0 HA THR A 120 7.922 -10.205 3.453 1.00 0.00 H new ATOM 0 HB THR A 120 8.436 -12.571 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.652 -11.806 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.980 -13.264 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.312 -13.093 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.516 -11.830 2.547 1.00 0.00 H new ATOM 1262 N LEU A 121 6.058 -11.719 2.723 1.00 0.00 N ATOM 1263 CA LEU A 121 4.856 -12.428 2.299 1.00 0.00 C ATOM 1264 C LEU A 121 5.090 -13.935 2.282 1.00 0.00 C ATOM 1265 O LEU A 121 6.217 -14.412 2.144 1.00 0.00 O ATOM 1266 CB LEU A 121 4.422 -11.952 0.911 1.00 0.00 C ATOM 1267 CG LEU A 121 3.778 -10.567 0.847 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.801 -10.032 -0.576 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.353 -10.616 1.377 1.00 0.00 C ATOM 0 H LEU A 121 6.618 -11.344 1.958 1.00 0.00 H new ATOM 0 HA LEU A 121 4.064 -12.210 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.295 -11.955 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.717 -12.677 0.504 1.00 0.00 H new ATOM 0 HG LEU A 121 4.356 -9.890 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.338 -9.045 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.833 -9.958 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.249 -10.709 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.911 -9.621 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.764 -11.308 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.362 -10.954 2.413 1.00 0.00 H new ATOM 1281 N PRO A 122 4.001 -14.705 2.423 1.00 0.00 N ATOM 1282 CA PRO A 122 4.061 -16.170 2.425 1.00 0.00 C ATOM 1283 C PRO A 122 4.404 -16.737 1.052 1.00 0.00 C ATOM 1284 O PRO A 122 3.683 -16.516 0.080 1.00 0.00 O ATOM 1285 CB PRO A 122 2.646 -16.583 2.836 1.00 0.00 C ATOM 1286 CG PRO A 122 1.784 -15.439 2.426 1.00 0.00 C ATOM 1287 CD PRO A 122 2.626 -14.205 2.592 1.00 0.00 C ATOM 0 HA PRO A 122 4.839 -16.545 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.343 -17.505 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.582 -16.762 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.454 -15.550 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.887 -15.385 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.380 -13.447 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.482 -13.749 3.571 1.00 0.00 H new ATOM 1295 N GLY A 123 5.511 -17.470 0.979 1.00 0.00 N ATOM 1296 CA GLY A 123 5.930 -18.059 -0.280 1.00 0.00 C ATOM 1297 C GLY A 123 6.883 -17.165 -1.049 1.00 0.00 C ATOM 1298 O GLY A 123 6.977 -17.254 -2.272 1.00 0.00 O ATOM 0 H GLY A 123 6.125 -17.667 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.412 -19.017 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.052 -18.261 -0.893 1.00 0.00 H new ATOM 1302 N MET A 124 7.592 -16.301 -0.329 1.00 0.00 N ATOM 1303 CA MET A 124 8.542 -15.387 -0.952 1.00 0.00 C ATOM 1304 C MET A 124 9.804 -15.255 -0.105 1.00 0.00 C ATOM 1305 O MET A 124 9.770 -14.703 0.994 1.00 0.00 O ATOM 1306 CB MET A 124 7.903 -14.012 -1.154 1.00 0.00 C ATOM 1307 CG MET A 124 6.601 -14.056 -1.937 1.00 0.00 C ATOM 1308 SD MET A 124 6.861 -14.298 -3.705 1.00 0.00 S ATOM 1309 CE MET A 124 7.176 -12.616 -4.234 1.00 0.00 C ATOM 0 H MET A 124 7.526 -16.215 0.685 1.00 0.00 H new ATOM 0 HA MET A 124 8.819 -15.797 -1.923 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.716 -13.561 -0.180 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.609 -13.365 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.977 -14.863 -1.552 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.054 -13.126 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.911 -12.619 -5.039 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.249 -12.167 -4.591 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.559 -12.036 -3.394 1.00 0.00 H new ATOM 1319 N ASN A 125 10.916 -15.766 -0.624 1.00 0.00 N ATOM 1320 CA ASN A 125 12.188 -15.705 0.086 1.00 0.00 C ATOM 1321 C ASN A 125 12.586 -14.259 0.367 1.00 0.00 C ATOM 1322 O ASN A 125 13.241 -13.969 1.368 1.00 0.00 O ATOM 1323 CB ASN A 125 13.283 -16.398 -0.728 1.00 0.00 C ATOM 1324 CG ASN A 125 12.839 -17.745 -1.266 1.00 0.00 C ATOM 1325 OD1 ASN A 125 12.736 -17.938 -2.477 1.00 0.00 O ATOM 1326 ND2 ASN A 125 12.574 -18.683 -0.364 1.00 0.00 N ATOM 0 H ASN A 125 10.962 -16.227 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 125 12.069 -16.222 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 125 13.575 -15.756 -1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 125 14.166 -16.532 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 125 12.271 -19.609 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.674 -18.477 0.630 1.00 0.00 H new ATOM 1333 N ARG A 126 12.185 -13.358 -0.523 1.00 0.00 N ATOM 1334 CA ARG A 126 12.500 -11.942 -0.371 1.00 0.00 C ATOM 1335 C ARG A 126 11.307 -11.177 0.195 1.00 0.00 C ATOM 1336 O ARG A 126 10.156 -11.413 -0.173 1.00 0.00 O ATOM 1337 CB ARG A 126 12.912 -11.342 -1.717 1.00 0.00 C ATOM 1338 CG ARG A 126 13.760 -10.087 -1.590 1.00 0.00 C ATOM 1339 CD ARG A 126 14.242 -9.601 -2.948 1.00 0.00 C ATOM 1340 NE ARG A 126 15.143 -10.558 -3.583 1.00 0.00 N ATOM 1341 CZ ARG A 126 15.552 -10.458 -4.843 1.00 0.00 C ATOM 1342 NH1 ARG A 126 15.141 -9.448 -5.599 1.00 0.00 N ATOM 1343 NH2 ARG A 126 16.373 -11.369 -5.350 1.00 0.00 N ATOM 0 H ARG A 126 11.642 -13.582 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 126 13.331 -11.854 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.467 -12.090 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.015 -11.108 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.179 -9.302 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.618 -10.290 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.383 -9.426 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.753 -8.645 -2.831 1.00 0.00 H new ATOM 0 HE ARG A 126 15.477 -11.347 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.510 -8.746 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.457 -9.374 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.691 -12.147 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.686 -11.291 -6.318 1.00 0.00 H new ATOM 1357 N PRO A 127 11.586 -10.239 1.112 1.00 0.00 N ATOM 1358 CA PRO A 127 10.550 -9.421 1.748 1.00 0.00 C ATOM 1359 C PRO A 127 9.920 -8.426 0.779 1.00 0.00 C ATOM 1360 O PRO A 127 10.479 -8.139 -0.281 1.00 0.00 O ATOM 1361 CB PRO A 127 11.309 -8.683 2.853 1.00 0.00 C ATOM 1362 CG PRO A 127 12.720 -8.637 2.378 1.00 0.00 C ATOM 1363 CD PRO A 127 12.935 -9.904 1.597 1.00 0.00 C ATOM 0 HA PRO A 127 9.720 -10.026 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 127 10.910 -7.680 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.229 -9.206 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.894 -7.760 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.413 -8.574 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.633 -9.755 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.346 -10.697 2.222 1.00 0.00 H new ATOM 1371 N ILE A 128 8.756 -7.903 1.148 1.00 0.00 N ATOM 1372 CA ILE A 128 8.053 -6.939 0.311 1.00 0.00 C ATOM 1373 C ILE A 128 8.849 -5.645 0.174 1.00 0.00 C ATOM 1374 O ILE A 128 9.226 -5.030 1.171 1.00 0.00 O ATOM 1375 CB ILE A 128 6.658 -6.613 0.879 1.00 0.00 C ATOM 1376 CG1 ILE A 128 5.898 -5.690 -0.076 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.782 -5.974 2.254 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.404 -5.676 0.159 1.00 0.00 C ATOM 0 H ILE A 128 8.280 -8.131 2.021 1.00 0.00 H new ATOM 0 HA ILE A 128 7.939 -7.398 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 128 6.097 -7.542 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.284 -4.676 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.093 -6.002 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.788 -5.750 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.289 -6.662 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.358 -5.052 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 128 3.930 -5.001 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.005 -6.682 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.198 -5.335 1.174 1.00 0.00 H new ATOM 1390 N GLN A 129 9.098 -5.239 -1.066 1.00 0.00 N ATOM 1391 CA GLN A 129 9.849 -4.018 -1.333 1.00 0.00 C ATOM 1392 C GLN A 129 8.908 -2.860 -1.651 1.00 0.00 C ATOM 1393 O GLN A 129 8.020 -2.981 -2.495 1.00 0.00 O ATOM 1394 CB GLN A 129 10.820 -4.235 -2.495 1.00 0.00 C ATOM 1395 CG GLN A 129 12.150 -4.837 -2.071 1.00 0.00 C ATOM 1396 CD GLN A 129 12.030 -6.293 -1.667 1.00 0.00 C ATOM 1397 OE1 GLN A 129 11.381 -7.087 -2.348 1.00 0.00 O ATOM 1398 NE2 GLN A 129 12.656 -6.651 -0.552 1.00 0.00 N ATOM 0 H GLN A 129 8.791 -5.737 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 129 10.416 -3.767 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.353 -4.889 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.003 -3.280 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.862 -4.749 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.554 -4.264 -1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.183 -5.960 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.610 -7.617 -0.229 1.00 0.00 H new ATOM 1407 N VAL A 130 9.110 -1.737 -0.969 1.00 0.00 N ATOM 1408 CA VAL A 130 8.280 -0.556 -1.179 1.00 0.00 C ATOM 1409 C VAL A 130 9.136 0.671 -1.475 1.00 0.00 C ATOM 1410 O VAL A 130 9.821 1.191 -0.594 1.00 0.00 O ATOM 1411 CB VAL A 130 7.395 -0.267 0.048 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.506 0.941 -0.208 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.560 -1.488 0.401 1.00 0.00 C ATOM 0 H VAL A 130 9.841 -1.620 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 130 7.641 -0.766 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 130 8.041 -0.040 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.888 1.130 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.127 1.814 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.865 0.746 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.941 -1.266 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.921 -1.748 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.219 -2.326 0.629 1.00 0.00 H new ATOM 1423 N LYS A 131 9.091 1.129 -2.721 1.00 0.00 N ATOM 1424 CA LYS A 131 9.860 2.297 -3.135 1.00 0.00 C ATOM 1425 C LYS A 131 9.034 3.197 -4.049 1.00 0.00 C ATOM 1426 O LYS A 131 8.276 2.730 -4.899 1.00 0.00 O ATOM 1427 CB LYS A 131 11.140 1.862 -3.852 1.00 0.00 C ATOM 1428 CG LYS A 131 10.889 0.988 -5.069 1.00 0.00 C ATOM 1429 CD LYS A 131 12.057 0.053 -5.335 1.00 0.00 C ATOM 1430 CE LYS A 131 13.117 0.718 -6.199 1.00 0.00 C ATOM 1431 NZ LYS A 131 12.863 0.506 -7.651 1.00 0.00 N ATOM 0 H LYS A 131 8.530 0.709 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 131 10.125 2.862 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.693 2.749 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.773 1.320 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.981 0.404 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.720 1.618 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.499 -0.257 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.697 -0.849 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.140 1.787 -5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 131 14.098 0.320 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.607 0.975 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.866 -0.513 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.938 0.908 -7.904 1.00 0.00 H new ATOM 1445 N PRO A 132 9.183 4.518 -3.872 1.00 0.00 N ATOM 1446 CA PRO A 132 8.460 5.510 -4.673 1.00 0.00 C ATOM 1447 C PRO A 132 8.942 5.550 -6.120 1.00 0.00 C ATOM 1448 O PRO A 132 10.081 5.926 -6.394 1.00 0.00 O ATOM 1449 CB PRO A 132 8.775 6.832 -3.968 1.00 0.00 C ATOM 1450 CG PRO A 132 10.074 6.594 -3.279 1.00 0.00 C ATOM 1451 CD PRO A 132 10.070 5.145 -2.878 1.00 0.00 C ATOM 0 HA PRO A 132 7.395 5.287 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.850 7.653 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.993 7.098 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.912 6.814 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.178 7.240 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.072 4.717 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.695 5.010 -1.863 1.00 0.00 H new ATOM 1459 N ALA A 133 8.067 5.160 -7.041 1.00 0.00 N ATOM 1460 CA ALA A 133 8.402 5.154 -8.459 1.00 0.00 C ATOM 1461 C ALA A 133 8.964 6.503 -8.896 1.00 0.00 C ATOM 1462 O ALA A 133 10.121 6.601 -9.305 1.00 0.00 O ATOM 1463 CB ALA A 133 7.178 4.796 -9.289 1.00 0.00 C ATOM 0 H ALA A 133 7.120 4.844 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 133 9.171 4.399 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.443 4.795 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.822 3.806 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.391 5.530 -9.113 1.00 0.00 H new