USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.338 USER MOD Single : A 15 ASN : amide:sc= -0.745 K(o=-0.74,f=-1.4) USER MOD Single : A 16 MET CE :methyl 180:sc= -0.0561 (180deg=-0.0561) USER MOD Single : A 34 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 37 ASN : amide:sc= -0.0882 K(o=-0.088,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.83) USER MOD Single : A 44 SER OG : rot -32:sc= 0.323 USER MOD Single : A 45 TYR OH : rot 0:sc= -0.562 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.188) USER MOD Single : A 50 GLN : amide:sc= -1.34! C(o=-1.3!,f=-6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.8!) USER MOD Single : A 66 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.113 (180deg=-0.737) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 7 -8.167 -5.283 4.905 1.00 1.00 N ATOM 89 CA VAL A 7 -7.966 -3.883 5.303 1.00 1.00 C ATOM 90 C VAL A 7 -8.784 -2.966 4.402 1.00 1.00 C ATOM 91 O VAL A 7 -8.910 -3.215 3.204 1.00 1.00 O ATOM 92 CB VAL A 7 -6.484 -3.525 5.202 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.259 -2.085 5.680 1.00 1.00 C ATOM 94 CG2 VAL A 7 -5.683 -4.489 6.079 1.00 1.00 C ATOM 0 HA VAL A 7 -8.295 -3.753 6.334 1.00 1.00 H new ATOM 0 HB VAL A 7 -6.157 -3.606 4.165 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.200 -1.838 5.605 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -6.836 -1.401 5.058 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -6.581 -1.992 6.717 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -4.623 -4.244 6.015 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.014 -4.400 7.114 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -5.840 -5.511 5.734 1.00 1.00 H new ATOM 104 N TYR A 8 -9.339 -1.903 4.988 1.00 1.00 N ATOM 105 CA TYR A 8 -10.156 -0.943 4.236 1.00 1.00 C ATOM 106 C TYR A 8 -9.361 0.323 3.932 1.00 1.00 C ATOM 107 O TYR A 8 -8.845 0.974 4.840 1.00 1.00 O ATOM 108 CB TYR A 8 -11.386 -0.565 5.070 1.00 1.00 C ATOM 109 CG TYR A 8 -12.266 -1.781 5.253 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.037 -2.657 6.324 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.308 -2.038 4.352 1.00 1.00 C ATOM 112 CE1 TYR A 8 -12.848 -3.786 6.490 1.00 1.00 C ATOM 113 CE2 TYR A 8 -14.116 -3.168 4.520 1.00 1.00 C ATOM 114 CZ TYR A 8 -13.886 -4.041 5.588 1.00 1.00 C ATOM 115 OH TYR A 8 -14.682 -5.155 5.752 1.00 1.00 O ATOM 0 H TYR A 8 -9.239 -1.684 5.979 1.00 1.00 H new ATOM 0 HA TYR A 8 -10.458 -1.406 3.297 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.075 -0.179 6.041 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -11.944 0.229 4.575 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.235 -2.461 7.020 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.488 -1.364 3.528 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.672 -4.460 7.315 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -14.918 -3.366 3.824 1.00 1.00 H new ATOM 0 HH TYR A 8 -15.356 -5.183 5.041 1.00 1.00 H new ATOM 125 N VAL A 9 -9.252 0.663 2.647 1.00 1.00 N ATOM 126 CA VAL A 9 -8.501 1.844 2.229 1.00 1.00 C ATOM 127 C VAL A 9 -8.845 3.054 3.103 1.00 1.00 C ATOM 128 O VAL A 9 -9.829 3.038 3.840 1.00 1.00 O ATOM 129 CB VAL A 9 -8.804 2.129 0.751 1.00 1.00 C ATOM 130 CG1 VAL A 9 -10.314 2.267 0.540 1.00 1.00 C ATOM 131 CG2 VAL A 9 -8.099 3.418 0.296 1.00 1.00 C ATOM 0 H VAL A 9 -9.673 0.138 1.881 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.435 1.654 2.350 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.432 1.294 0.157 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -10.517 2.469 -0.512 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -10.809 1.341 0.834 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -10.693 3.089 1.147 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -8.325 3.605 -0.754 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -8.450 4.256 0.897 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.022 3.307 0.422 1.00 1.00 H new ATOM 141 N MET A 10 -8.009 4.094 3.026 1.00 1.00 N ATOM 142 CA MET A 10 -8.204 5.310 3.826 1.00 1.00 C ATOM 143 C MET A 10 -8.743 6.461 2.978 1.00 1.00 C ATOM 144 O MET A 10 -9.894 6.868 3.136 1.00 1.00 O ATOM 145 CB MET A 10 -6.870 5.714 4.461 1.00 1.00 C ATOM 146 CG MET A 10 -6.376 4.598 5.397 1.00 1.00 C ATOM 147 SD MET A 10 -7.481 4.450 6.827 1.00 1.00 S ATOM 148 CE MET A 10 -6.551 3.170 7.708 1.00 1.00 C ATOM 0 H MET A 10 -7.190 4.119 2.418 1.00 1.00 H new ATOM 0 HA MET A 10 -8.940 5.096 4.601 1.00 1.00 H new ATOM 0 HB2 MET A 10 -6.130 5.903 3.684 1.00 1.00 H new ATOM 0 HB3 MET A 10 -6.990 6.642 5.019 1.00 1.00 H new ATOM 0 HG2 MET A 10 -6.337 3.651 4.858 1.00 1.00 H new ATOM 0 HG3 MET A 10 -5.362 4.816 5.732 1.00 1.00 H new ATOM 0 HE1 MET A 10 -7.064 2.922 8.637 1.00 1.00 H new ATOM 0 HE2 MET A 10 -6.479 2.279 7.085 1.00 1.00 H new ATOM 0 HE3 MET A 10 -5.550 3.538 7.933 1.00 1.00 H new ATOM 158 N SER A 11 -7.905 6.993 2.092 1.00 1.00 N ATOM 159 CA SER A 11 -8.311 8.117 1.237 1.00 1.00 C ATOM 160 C SER A 11 -7.468 8.168 -0.034 1.00 1.00 C ATOM 161 O SER A 11 -6.519 7.398 -0.191 1.00 1.00 O ATOM 162 CB SER A 11 -8.151 9.429 2.008 1.00 1.00 C ATOM 163 OG SER A 11 -8.561 10.512 1.184 1.00 1.00 O ATOM 0 H SER A 11 -6.948 6.671 1.944 1.00 1.00 H new ATOM 0 HA SER A 11 -9.354 7.976 0.954 1.00 1.00 H new ATOM 0 HB2 SER A 11 -8.749 9.404 2.919 1.00 1.00 H new ATOM 0 HB3 SER A 11 -7.113 9.561 2.312 1.00 1.00 H new ATOM 0 HG SER A 11 -8.461 11.354 1.676 1.00 1.00 H new ATOM 169 N VAL A 12 -7.819 9.097 -0.934 1.00 1.00 N ATOM 170 CA VAL A 12 -7.101 9.294 -2.200 1.00 1.00 C ATOM 171 C VAL A 12 -6.535 10.712 -2.222 1.00 1.00 C ATOM 172 O VAL A 12 -7.280 11.677 -2.385 1.00 1.00 O ATOM 173 CB VAL A 12 -8.074 9.119 -3.384 1.00 1.00 C ATOM 174 CG1 VAL A 12 -7.293 8.903 -4.685 1.00 1.00 C ATOM 175 CG2 VAL A 12 -8.981 7.911 -3.141 1.00 1.00 C ATOM 0 H VAL A 12 -8.607 9.732 -0.805 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.297 8.563 -2.286 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.679 10.022 -3.470 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.992 8.781 -5.513 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.654 9.766 -4.874 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -6.677 8.008 -4.595 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -9.665 7.795 -3.982 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -8.372 7.013 -3.042 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -9.553 8.064 -2.226 1.00 1.00 H new ATOM 185 N LEU A 13 -5.229 10.838 -2.039 1.00 1.00 N ATOM 186 CA LEU A 13 -4.580 12.147 -2.020 1.00 1.00 C ATOM 187 C LEU A 13 -4.047 12.516 -3.417 1.00 1.00 C ATOM 188 O LEU A 13 -3.579 11.643 -4.146 1.00 1.00 O ATOM 189 CB LEU A 13 -3.424 12.097 -1.018 1.00 1.00 C ATOM 190 CG LEU A 13 -3.880 11.449 0.305 1.00 1.00 C ATOM 191 CD1 LEU A 13 -2.752 11.569 1.329 1.00 1.00 C ATOM 192 CD2 LEU A 13 -5.143 12.150 0.854 1.00 1.00 C ATOM 0 H LEU A 13 -4.595 10.051 -1.901 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.305 12.907 -1.727 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.594 11.530 -1.440 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.057 13.105 -0.828 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.118 10.401 0.121 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.064 11.114 2.269 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -1.865 11.058 0.955 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.521 12.621 1.495 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -5.446 11.676 1.787 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -4.925 13.202 1.036 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.950 12.067 0.126 1.00 1.00 H new ATOM 204 N PRO A 14 -4.097 13.776 -3.812 1.00 1.00 N ATOM 205 CA PRO A 14 -3.597 14.211 -5.156 1.00 1.00 C ATOM 206 C PRO A 14 -2.065 14.200 -5.238 1.00 1.00 C ATOM 207 O PRO A 14 -1.375 14.293 -4.225 1.00 1.00 O ATOM 208 CB PRO A 14 -4.169 15.634 -5.302 1.00 1.00 C ATOM 209 CG PRO A 14 -4.225 16.144 -3.895 1.00 1.00 C ATOM 210 CD PRO A 14 -4.624 14.929 -3.042 1.00 1.00 C ATOM 0 HA PRO A 14 -3.911 13.541 -5.957 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -3.532 16.259 -5.929 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -5.157 15.623 -5.763 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -3.261 16.545 -3.583 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -4.952 16.950 -3.797 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -4.187 14.978 -2.044 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -5.705 14.866 -2.914 1.00 1.00 H new ATOM 218 N ASN A 15 -1.552 14.089 -6.460 1.00 1.00 N ATOM 219 CA ASN A 15 -0.109 14.074 -6.697 1.00 1.00 C ATOM 220 C ASN A 15 0.581 12.936 -5.941 1.00 1.00 C ATOM 221 O ASN A 15 1.729 13.085 -5.521 1.00 1.00 O ATOM 222 CB ASN A 15 0.512 15.410 -6.263 1.00 1.00 C ATOM 223 CG ASN A 15 1.959 15.496 -6.743 1.00 1.00 C ATOM 224 OD1 ASN A 15 2.267 15.099 -7.867 1.00 1.00 O ATOM 225 ND2 ASN A 15 2.870 15.984 -5.946 1.00 1.00 N ATOM 0 H ASN A 15 -2.116 14.008 -7.306 1.00 1.00 H new ATOM 0 HA ASN A 15 0.041 13.918 -7.765 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -0.065 16.239 -6.673 1.00 1.00 H new ATOM 0 HB3 ASN A 15 0.475 15.502 -5.178 1.00 1.00 H new ATOM 0 HD21 ASN A 15 3.841 16.038 -6.254 1.00 1.00 H new ATOM 0 HD22 ASN A 15 2.611 16.312 -5.016 1.00 1.00 H new ATOM 232 N MET A 16 -0.119 11.804 -5.764 1.00 1.00 N ATOM 233 CA MET A 16 0.441 10.641 -5.048 1.00 1.00 C ATOM 234 C MET A 16 0.427 9.395 -5.950 1.00 1.00 C ATOM 235 O MET A 16 -0.397 9.291 -6.858 1.00 1.00 O ATOM 236 CB MET A 16 -0.388 10.403 -3.761 1.00 1.00 C ATOM 237 CG MET A 16 -0.007 11.437 -2.649 1.00 1.00 C ATOM 238 SD MET A 16 -0.050 10.646 -1.019 1.00 1.00 S ATOM 239 CE MET A 16 0.525 12.073 -0.069 1.00 1.00 C ATOM 0 H MET A 16 -1.071 11.667 -6.105 1.00 1.00 H new ATOM 0 HA MET A 16 1.478 10.838 -4.778 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.451 10.484 -3.989 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.216 9.391 -3.395 1.00 1.00 H new ATOM 0 HG2 MET A 16 0.988 11.838 -2.841 1.00 1.00 H new ATOM 0 HG3 MET A 16 -0.700 12.278 -2.672 1.00 1.00 H new ATOM 0 HE1 MET A 16 0.576 11.810 0.988 1.00 1.00 H new ATOM 0 HE2 MET A 16 1.515 12.368 -0.418 1.00 1.00 H new ATOM 0 HE3 MET A 16 -0.169 12.903 -0.203 1.00 1.00 H new ATOM 249 N PRO A 17 1.338 8.458 -5.735 1.00 1.00 N ATOM 250 CA PRO A 17 1.434 7.219 -6.574 1.00 1.00 C ATOM 251 C PRO A 17 0.197 6.325 -6.461 1.00 1.00 C ATOM 252 O PRO A 17 -0.015 5.454 -7.300 1.00 1.00 O ATOM 253 CB PRO A 17 2.713 6.511 -6.054 1.00 1.00 C ATOM 254 CG PRO A 17 2.898 7.025 -4.655 1.00 1.00 C ATOM 255 CD PRO A 17 2.381 8.467 -4.681 1.00 1.00 C ATOM 0 HA PRO A 17 1.487 7.454 -7.637 1.00 1.00 H new ATOM 0 HB2 PRO A 17 2.597 5.427 -6.064 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.575 6.745 -6.678 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.342 6.421 -3.938 1.00 1.00 H new ATOM 0 HG3 PRO A 17 3.946 6.988 -4.358 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.969 8.760 -3.715 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.178 9.172 -4.915 1.00 1.00 H new ATOM 263 N ALA A 18 -0.615 6.541 -5.428 1.00 1.00 N ATOM 264 CA ALA A 18 -1.829 5.742 -5.224 1.00 1.00 C ATOM 265 C ALA A 18 -3.013 6.313 -6.025 1.00 1.00 C ATOM 266 O ALA A 18 -3.964 5.599 -6.346 1.00 1.00 O ATOM 267 CB ALA A 18 -2.172 5.737 -3.731 1.00 1.00 C ATOM 0 H ALA A 18 -0.458 7.259 -4.720 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.644 4.727 -5.575 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.073 5.146 -3.567 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.345 5.302 -3.169 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.342 6.759 -3.393 1.00 1.00 H new ATOM 273 N ALA A 19 -2.939 7.603 -6.332 1.00 1.00 N ATOM 274 CA ALA A 19 -4.006 8.267 -7.084 1.00 1.00 C ATOM 275 C ALA A 19 -4.085 7.724 -8.507 1.00 1.00 C ATOM 276 O ALA A 19 -3.077 7.630 -9.207 1.00 1.00 O ATOM 277 CB ALA A 19 -3.771 9.778 -7.125 1.00 1.00 C ATOM 0 H ALA A 19 -2.159 8.209 -6.076 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.949 8.064 -6.577 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -4.573 10.256 -7.688 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -3.756 10.172 -6.109 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.816 9.985 -7.608 1.00 1.00 H new ATOM 283 N GLY A 20 -5.301 7.374 -8.928 1.00 1.00 N ATOM 284 CA GLY A 20 -5.539 6.842 -10.275 1.00 1.00 C ATOM 285 C GLY A 20 -5.442 5.321 -10.296 1.00 1.00 C ATOM 286 O GLY A 20 -5.970 4.669 -11.196 1.00 1.00 O ATOM 0 H GLY A 20 -6.141 7.449 -8.355 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.526 7.150 -10.621 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.812 7.264 -10.969 1.00 1.00 H new ATOM 290 N ARG A 21 -4.760 4.761 -9.298 1.00 1.00 N ATOM 291 CA ARG A 21 -4.580 3.307 -9.194 1.00 1.00 C ATOM 292 C ARG A 21 -5.452 2.747 -8.077 1.00 1.00 C ATOM 293 O ARG A 21 -6.092 1.707 -8.238 1.00 1.00 O ATOM 294 CB ARG A 21 -3.104 3.000 -8.899 1.00 1.00 C ATOM 295 CG ARG A 21 -2.255 3.344 -10.128 1.00 1.00 C ATOM 296 CD ARG A 21 -0.775 3.181 -9.789 1.00 1.00 C ATOM 297 NE ARG A 21 0.042 3.516 -10.952 1.00 1.00 N ATOM 298 CZ ARG A 21 1.317 3.867 -10.825 1.00 1.00 C ATOM 299 NH1 ARG A 21 1.853 3.961 -9.641 1.00 1.00 N ATOM 300 NH2 ARG A 21 2.028 4.132 -11.880 1.00 1.00 N ATOM 0 H ARG A 21 -4.320 5.291 -8.546 1.00 1.00 H new ATOM 0 HA ARG A 21 -4.873 2.842 -10.135 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.767 3.577 -8.038 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -2.984 1.947 -8.644 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -2.522 2.693 -10.961 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -2.455 4.367 -10.446 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.512 3.826 -8.951 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.575 2.156 -9.477 1.00 1.00 H new ATOM 0 HE ARG A 21 -0.375 3.480 -11.882 1.00 1.00 H new ATOM 0 HH11 ARG A 21 1.294 3.765 -8.811 1.00 1.00 H new ATOM 0 HH12 ARG A 21 2.832 4.231 -9.544 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.607 4.071 -12.807 1.00 1.00 H new ATOM 0 HH22 ARG A 21 3.007 4.401 -11.781 1.00 1.00 H new ATOM 314 N LEU A 22 -5.459 3.444 -6.939 1.00 1.00 N ATOM 315 CA LEU A 22 -6.234 3.035 -5.768 1.00 1.00 C ATOM 316 C LEU A 22 -7.295 4.091 -5.473 1.00 1.00 C ATOM 317 O LEU A 22 -7.031 5.288 -5.593 1.00 1.00 O ATOM 318 CB LEU A 22 -5.261 2.878 -4.569 1.00 1.00 C ATOM 319 CG LEU A 22 -5.676 1.699 -3.667 1.00 1.00 C ATOM 320 CD1 LEU A 22 -7.131 1.881 -3.185 1.00 1.00 C ATOM 321 CD2 LEU A 22 -5.540 0.342 -4.422 1.00 1.00 C ATOM 0 H LEU A 22 -4.929 4.305 -6.804 1.00 1.00 H new ATOM 0 HA LEU A 22 -6.737 2.085 -5.948 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.248 2.718 -4.938 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -5.247 3.799 -3.986 1.00 1.00 H new ATOM 0 HG LEU A 22 -5.009 1.685 -2.805 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -7.411 1.041 -2.549 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.213 2.809 -2.619 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -7.797 1.922 -4.047 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -5.839 -0.473 -3.763 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -6.182 0.350 -5.303 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -4.504 0.199 -4.729 1.00 1.00 H new ATOM 333 N GLU A 23 -8.496 3.645 -5.090 1.00 1.00 N ATOM 334 CA GLU A 23 -9.599 4.563 -4.784 1.00 1.00 C ATOM 335 C GLU A 23 -10.251 4.198 -3.454 1.00 1.00 C ATOM 336 O GLU A 23 -10.136 3.072 -2.974 1.00 1.00 O ATOM 337 CB GLU A 23 -10.640 4.495 -5.908 1.00 1.00 C ATOM 338 CG GLU A 23 -10.132 5.232 -7.157 1.00 1.00 C ATOM 339 CD GLU A 23 -10.089 6.737 -6.907 1.00 1.00 C ATOM 340 OE1 GLU A 23 -11.117 7.288 -6.553 1.00 1.00 O ATOM 341 OE2 GLU A 23 -9.028 7.316 -7.081 1.00 1.00 O ATOM 0 H GLU A 23 -8.729 2.658 -4.985 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.204 5.576 -4.706 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -10.851 3.454 -6.153 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.577 4.940 -5.572 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.137 4.872 -7.420 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -10.783 5.016 -8.004 1.00 1.00 H new ATOM 348 N ALA A 24 -10.941 5.170 -2.877 1.00 1.00 N ATOM 349 CA ALA A 24 -11.620 4.966 -1.612 1.00 1.00 C ATOM 350 C ALA A 24 -12.740 3.952 -1.786 1.00 1.00 C ATOM 351 O ALA A 24 -13.518 4.038 -2.737 1.00 1.00 O ATOM 352 CB ALA A 24 -12.191 6.292 -1.111 1.00 1.00 C ATOM 0 H ALA A 24 -11.044 6.107 -3.267 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.907 4.587 -0.880 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.700 6.133 -0.160 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.381 7.008 -0.973 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.900 6.682 -1.841 1.00 1.00 H new ATOM 358 N GLY A 25 -12.818 2.986 -0.869 1.00 1.00 N ATOM 359 CA GLY A 25 -13.841 1.934 -0.922 1.00 1.00 C ATOM 360 C GLY A 25 -13.205 0.591 -1.266 1.00 1.00 C ATOM 361 O GLY A 25 -13.759 -0.465 -0.963 1.00 1.00 O ATOM 0 H GLY A 25 -12.182 2.908 -0.075 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.352 1.866 0.038 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.595 2.188 -1.667 1.00 1.00 H new ATOM 365 N ASP A 26 -12.035 0.641 -1.906 1.00 1.00 N ATOM 366 CA ASP A 26 -11.319 -0.578 -2.297 1.00 1.00 C ATOM 367 C ASP A 26 -10.572 -1.177 -1.107 1.00 1.00 C ATOM 368 O ASP A 26 -10.051 -0.443 -0.272 1.00 1.00 O ATOM 369 CB ASP A 26 -10.315 -0.237 -3.396 1.00 1.00 C ATOM 370 CG ASP A 26 -11.022 0.481 -4.542 1.00 1.00 C ATOM 371 OD1 ASP A 26 -12.195 0.219 -4.741 1.00 1.00 O ATOM 372 OD2 ASP A 26 -10.378 1.278 -5.203 1.00 1.00 O ATOM 0 H ASP A 26 -11.564 1.508 -2.164 1.00 1.00 H new ATOM 0 HA ASP A 26 -12.045 -1.308 -2.656 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.523 0.394 -2.994 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.841 -1.148 -3.763 1.00 1.00 H new ATOM 377 N ARG A 27 -10.507 -2.516 -1.040 1.00 1.00 N ATOM 378 CA ARG A 27 -9.800 -3.207 0.056 1.00 1.00 C ATOM 379 C ARG A 27 -8.530 -3.880 -0.458 1.00 1.00 C ATOM 380 O ARG A 27 -8.383 -4.121 -1.653 1.00 1.00 O ATOM 381 CB ARG A 27 -10.707 -4.265 0.701 1.00 1.00 C ATOM 382 CG ARG A 27 -11.219 -5.251 -0.356 1.00 1.00 C ATOM 383 CD ARG A 27 -11.998 -6.375 0.334 1.00 1.00 C ATOM 384 NE ARG A 27 -12.515 -7.309 -0.660 1.00 1.00 N ATOM 385 CZ ARG A 27 -13.560 -7.001 -1.421 1.00 1.00 C ATOM 386 NH1 ARG A 27 -14.158 -5.852 -1.277 1.00 1.00 N ATOM 387 NH2 ARG A 27 -13.993 -7.848 -2.310 1.00 1.00 N ATOM 0 H ARG A 27 -10.932 -3.141 -1.726 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.531 -2.459 0.802 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -10.156 -4.803 1.472 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.550 -3.779 1.192 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.860 -4.735 -1.071 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.382 -5.665 -0.919 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.350 -6.900 1.035 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.821 -5.956 0.913 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.065 -8.217 -0.773 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -13.824 -5.187 -0.579 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -14.960 -5.618 -1.862 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -13.530 -8.750 -2.423 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -14.795 -7.610 -2.893 1.00 1.00 H new ATOM 401 N ILE A 28 -7.623 -4.197 0.468 1.00 1.00 N ATOM 402 CA ILE A 28 -6.362 -4.861 0.111 1.00 1.00 C ATOM 403 C ILE A 28 -6.467 -6.367 0.346 1.00 1.00 C ATOM 404 O ILE A 28 -6.617 -6.820 1.479 1.00 1.00 O ATOM 405 CB ILE A 28 -5.205 -4.286 0.947 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.286 -2.748 0.973 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.866 -4.721 0.341 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.369 -2.176 -0.452 1.00 1.00 C ATOM 0 H ILE A 28 -7.734 -4.008 1.464 1.00 1.00 H new ATOM 0 HA ILE A 28 -6.165 -4.681 -0.946 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.282 -4.663 1.967 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -6.160 -2.436 1.545 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.411 -2.343 1.481 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.048 -4.313 0.935 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.804 -5.809 0.338 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.792 -4.351 -0.682 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.425 -1.088 -0.405 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.482 -2.469 -1.014 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.258 -2.564 -0.949 1.00 1.00 H new ATOM 420 N ALA A 29 -6.387 -7.137 -0.744 1.00 1.00 N ATOM 421 CA ALA A 29 -6.478 -8.602 -0.666 1.00 1.00 C ATOM 422 C ALA A 29 -5.091 -9.234 -0.523 1.00 1.00 C ATOM 423 O ALA A 29 -4.973 -10.401 -0.154 1.00 1.00 O ATOM 424 CB ALA A 29 -7.150 -9.137 -1.934 1.00 1.00 C ATOM 0 H ALA A 29 -6.260 -6.774 -1.689 1.00 1.00 H new ATOM 0 HA ALA A 29 -7.068 -8.864 0.212 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -7.219 -10.223 -1.879 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -8.151 -8.714 -2.022 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.559 -8.855 -2.806 1.00 1.00 H new ATOM 430 N ALA A 30 -4.054 -8.444 -0.798 1.00 1.00 N ATOM 431 CA ALA A 30 -2.679 -8.935 -0.692 1.00 1.00 C ATOM 432 C ALA A 30 -1.676 -7.860 -1.107 1.00 1.00 C ATOM 433 O ALA A 30 -2.037 -6.847 -1.709 1.00 1.00 O ATOM 434 CB ALA A 30 -2.495 -10.184 -1.579 1.00 1.00 C ATOM 0 H ALA A 30 -4.137 -7.471 -1.093 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.494 -9.195 0.350 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.469 -10.543 -1.494 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -3.181 -10.966 -1.253 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.705 -9.927 -2.617 1.00 1.00 H new ATOM 440 N ILE A 31 -0.397 -8.121 -0.811 1.00 1.00 N ATOM 441 CA ILE A 31 0.691 -7.213 -1.187 1.00 1.00 C ATOM 442 C ILE A 31 1.869 -8.015 -1.727 1.00 1.00 C ATOM 443 O ILE A 31 2.372 -8.919 -1.068 1.00 1.00 O ATOM 444 CB ILE A 31 1.134 -6.342 0.001 1.00 1.00 C ATOM 445 CG1 ILE A 31 -0.029 -5.425 0.408 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.348 -5.479 -0.406 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.318 -4.702 1.703 1.00 1.00 C ATOM 0 H ILE A 31 -0.091 -8.956 -0.311 1.00 1.00 H new ATOM 0 HA ILE A 31 0.323 -6.544 -1.965 1.00 1.00 H new ATOM 0 HB ILE A 31 1.415 -6.982 0.837 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.228 -4.701 -0.382 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.938 -6.011 0.540 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.657 -4.864 0.439 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.172 -6.127 -0.704 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.073 -4.835 -1.241 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.509 -4.052 1.990 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.495 -5.433 2.492 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.216 -4.103 1.556 1.00 1.00 H new ATOM 459 N ASP A 32 2.305 -7.654 -2.927 1.00 1.00 N ATOM 460 CA ASP A 32 3.430 -8.323 -3.573 1.00 1.00 C ATOM 461 C ASP A 32 3.279 -9.846 -3.509 1.00 1.00 C ATOM 462 O ASP A 32 4.256 -10.586 -3.614 1.00 1.00 O ATOM 463 CB ASP A 32 4.750 -7.876 -2.919 1.00 1.00 C ATOM 464 CG ASP A 32 4.998 -8.598 -1.593 1.00 1.00 C ATOM 465 OD1 ASP A 32 5.614 -9.650 -1.624 1.00 1.00 O ATOM 466 OD2 ASP A 32 4.577 -8.085 -0.570 1.00 1.00 O ATOM 0 H ASP A 32 1.895 -6.898 -3.476 1.00 1.00 H new ATOM 0 HA ASP A 32 3.444 -8.039 -4.625 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.578 -8.072 -3.600 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.725 -6.800 -2.748 1.00 1.00 H new ATOM 471 N GLY A 33 2.037 -10.301 -3.348 1.00 1.00 N ATOM 472 CA GLY A 33 1.728 -11.739 -3.283 1.00 1.00 C ATOM 473 C GLY A 33 1.520 -12.217 -1.841 1.00 1.00 C ATOM 474 O GLY A 33 1.144 -13.366 -1.611 1.00 1.00 O ATOM 0 H GLY A 33 1.221 -9.695 -3.259 1.00 1.00 H new ATOM 0 HA2 GLY A 33 0.830 -11.944 -3.866 1.00 1.00 H new ATOM 0 HA3 GLY A 33 2.540 -12.305 -3.739 1.00 1.00 H new ATOM 478 N GLN A 34 1.782 -11.333 -0.879 1.00 1.00 N ATOM 479 CA GLN A 34 1.642 -11.663 0.548 1.00 1.00 C ATOM 480 C GLN A 34 0.202 -11.408 1.040 1.00 1.00 C ATOM 481 O GLN A 34 -0.309 -10.303 0.866 1.00 1.00 O ATOM 482 CB GLN A 34 2.602 -10.791 1.370 1.00 1.00 C ATOM 483 CG GLN A 34 4.039 -11.008 0.894 1.00 1.00 C ATOM 484 CD GLN A 34 4.479 -12.439 1.181 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.767 -12.785 2.327 1.00 1.00 O ATOM 486 NE2 GLN A 34 4.543 -13.296 0.199 1.00 1.00 N ATOM 0 H GLN A 34 2.094 -10.378 -1.058 1.00 1.00 H new ATOM 0 HA GLN A 34 1.877 -12.720 0.676 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.331 -9.740 1.268 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.518 -11.040 2.428 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.110 -10.805 -0.175 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.706 -10.307 1.396 1.00 1.00 H new ATOM 0 HE21 GLN A 34 4.303 -13.005 -0.749 1.00 1.00 H new ATOM 0 HE22 GLN A 34 4.833 -14.257 0.379 1.00 1.00 H new ATOM 495 N PRO A 35 -0.470 -12.373 1.653 1.00 1.00 N ATOM 496 CA PRO A 35 -1.867 -12.160 2.157 1.00 1.00 C ATOM 497 C PRO A 35 -1.887 -11.365 3.469 1.00 1.00 C ATOM 498 O PRO A 35 -1.199 -11.714 4.427 1.00 1.00 O ATOM 499 CB PRO A 35 -2.392 -13.595 2.347 1.00 1.00 C ATOM 500 CG PRO A 35 -1.172 -14.393 2.712 1.00 1.00 C ATOM 501 CD PRO A 35 -0.003 -13.752 1.940 1.00 1.00 C ATOM 0 HA PRO A 35 -2.479 -11.570 1.475 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -3.147 -13.641 3.132 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -2.856 -13.972 1.436 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -0.993 -14.364 3.787 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.294 -15.441 2.437 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.911 -13.748 2.533 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.215 -14.298 1.022 1.00 1.00 H new ATOM 509 N ILE A 36 -2.665 -10.275 3.491 1.00 1.00 N ATOM 510 CA ILE A 36 -2.757 -9.409 4.672 1.00 1.00 C ATOM 511 C ILE A 36 -4.021 -9.684 5.484 1.00 1.00 C ATOM 512 O ILE A 36 -5.144 -9.546 5.000 1.00 1.00 O ATOM 513 CB ILE A 36 -2.759 -7.940 4.229 1.00 1.00 C ATOM 514 CG1 ILE A 36 -1.571 -7.679 3.277 1.00 1.00 C ATOM 515 CG2 ILE A 36 -2.648 -7.017 5.454 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.240 -8.142 3.897 1.00 1.00 C ATOM 0 H ILE A 36 -3.239 -9.973 2.704 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.895 -9.620 5.304 1.00 1.00 H new ATOM 0 HB ILE A 36 -3.694 -7.731 3.709 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -1.736 -8.202 2.335 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -1.515 -6.615 3.046 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -2.650 -5.977 5.127 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.495 -7.191 6.118 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -1.720 -7.228 5.986 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.574 -7.943 3.200 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.063 -7.600 4.826 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.288 -9.211 4.104 1.00 1.00 H new ATOM 528 N ASN A 37 -3.798 -10.061 6.737 1.00 1.00 N ATOM 529 CA ASN A 37 -4.886 -10.355 7.686 1.00 1.00 C ATOM 530 C ASN A 37 -4.878 -9.372 8.855 1.00 1.00 C ATOM 531 O ASN A 37 -5.886 -9.226 9.548 1.00 1.00 O ATOM 532 CB ASN A 37 -4.740 -11.780 8.226 1.00 1.00 C ATOM 533 CG ASN A 37 -5.956 -12.146 9.076 1.00 1.00 C ATOM 534 OD1 ASN A 37 -7.069 -11.706 8.790 1.00 1.00 O ATOM 535 ND2 ASN A 37 -5.804 -12.933 10.106 1.00 1.00 N ATOM 0 H ASN A 37 -2.864 -10.174 7.131 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.831 -10.256 7.152 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -4.640 -12.482 7.399 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -3.832 -11.860 8.823 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -6.610 -13.186 10.678 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.879 -13.295 10.339 1.00 1.00 H new ATOM 542 N THR A 38 -3.742 -8.698 9.080 1.00 1.00 N ATOM 543 CA THR A 38 -3.618 -7.729 10.181 1.00 1.00 C ATOM 544 C THR A 38 -2.974 -6.437 9.703 1.00 1.00 C ATOM 545 O THR A 38 -2.226 -6.421 8.722 1.00 1.00 O ATOM 546 CB THR A 38 -2.749 -8.308 11.303 1.00 1.00 C ATOM 547 OG1 THR A 38 -1.442 -8.559 10.807 1.00 1.00 O ATOM 548 CG2 THR A 38 -3.353 -9.605 11.826 1.00 1.00 C ATOM 0 H THR A 38 -2.898 -8.804 8.517 1.00 1.00 H new ATOM 0 HA THR A 38 -4.623 -7.522 10.547 1.00 1.00 H new ATOM 0 HB THR A 38 -2.701 -7.588 12.120 1.00 1.00 H new ATOM 0 HG1 THR A 38 -0.885 -8.928 11.524 1.00 1.00 H new ATOM 0 HG21 THR A 38 -2.725 -10.004 12.622 1.00 1.00 H new ATOM 0 HG22 THR A 38 -4.352 -9.410 12.216 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.415 -10.330 11.015 1.00 1.00 H new ATOM 556 N SER A 39 -3.252 -5.355 10.423 1.00 1.00 N ATOM 557 CA SER A 39 -2.680 -4.057 10.093 1.00 1.00 C ATOM 558 C SER A 39 -1.195 -4.054 10.438 1.00 1.00 C ATOM 559 O SER A 39 -0.394 -3.392 9.783 1.00 1.00 O ATOM 560 CB SER A 39 -3.393 -2.954 10.875 1.00 1.00 C ATOM 561 OG SER A 39 -2.929 -1.686 10.431 1.00 1.00 O ATOM 0 H SER A 39 -3.868 -5.352 11.236 1.00 1.00 H new ATOM 0 HA SER A 39 -2.807 -3.872 9.026 1.00 1.00 H new ATOM 0 HB2 SER A 39 -4.471 -3.030 10.732 1.00 1.00 H new ATOM 0 HB3 SER A 39 -3.204 -3.069 11.942 1.00 1.00 H new ATOM 0 HG SER A 39 -3.386 -0.977 10.930 1.00 1.00 H new ATOM 567 N GLU A 40 -0.841 -4.798 11.482 1.00 1.00 N ATOM 568 CA GLU A 40 0.550 -4.876 11.918 1.00 1.00 C ATOM 569 C GLU A 40 1.408 -5.539 10.852 1.00 1.00 C ATOM 570 O GLU A 40 2.586 -5.211 10.706 1.00 1.00 O ATOM 571 CB GLU A 40 0.647 -5.669 13.230 1.00 1.00 C ATOM 572 CG GLU A 40 -0.020 -4.879 14.366 1.00 1.00 C ATOM 573 CD GLU A 40 -1.534 -4.853 14.175 1.00 1.00 C ATOM 574 OE1 GLU A 40 -2.048 -5.752 13.531 1.00 1.00 O ATOM 575 OE2 GLU A 40 -2.159 -3.935 14.681 1.00 1.00 O ATOM 0 H GLU A 40 -1.492 -5.352 12.038 1.00 1.00 H new ATOM 0 HA GLU A 40 0.917 -3.863 12.082 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.163 -6.639 13.116 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.692 -5.861 13.473 1.00 1.00 H new ATOM 0 HG2 GLU A 40 0.225 -5.333 15.326 1.00 1.00 H new ATOM 0 HG3 GLU A 40 0.368 -3.861 14.387 1.00 1.00 H new ATOM 582 N GLN A 41 0.827 -6.475 10.111 1.00 1.00 N ATOM 583 CA GLN A 41 1.577 -7.163 9.075 1.00 1.00 C ATOM 584 C GLN A 41 2.103 -6.150 8.066 1.00 1.00 C ATOM 585 O GLN A 41 3.158 -6.354 7.465 1.00 1.00 O ATOM 586 CB GLN A 41 0.682 -8.198 8.373 1.00 1.00 C ATOM 587 CG GLN A 41 1.504 -9.038 7.383 1.00 1.00 C ATOM 588 CD GLN A 41 2.537 -9.885 8.126 1.00 1.00 C ATOM 589 OE1 GLN A 41 2.256 -10.404 9.207 1.00 1.00 O ATOM 590 NE2 GLN A 41 3.724 -10.053 7.606 1.00 1.00 N ATOM 0 H GLN A 41 -0.145 -6.769 10.207 1.00 1.00 H new ATOM 0 HA GLN A 41 2.420 -7.684 9.529 1.00 1.00 H new ATOM 0 HB2 GLN A 41 0.219 -8.849 9.114 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.126 -7.691 7.845 1.00 1.00 H new ATOM 0 HG2 GLN A 41 0.841 -9.685 6.808 1.00 1.00 H new ATOM 0 HG3 GLN A 41 2.007 -8.383 6.671 1.00 1.00 H new ATOM 0 HE21 GLN A 41 3.954 -9.622 6.711 1.00 1.00 H new ATOM 0 HE22 GLN A 41 4.420 -10.615 8.095 1.00 1.00 H new ATOM 599 N ILE A 42 1.369 -5.053 7.883 1.00 1.00 N ATOM 600 CA ILE A 42 1.773 -4.009 6.950 1.00 1.00 C ATOM 601 C ILE A 42 2.960 -3.222 7.481 1.00 1.00 C ATOM 602 O ILE A 42 3.752 -2.709 6.700 1.00 1.00 O ATOM 603 CB ILE A 42 0.598 -3.047 6.714 1.00 1.00 C ATOM 604 CG1 ILE A 42 -0.616 -3.830 6.166 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.999 -1.934 5.733 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.289 -4.516 4.825 1.00 1.00 C ATOM 0 H ILE A 42 0.492 -4.867 8.370 1.00 1.00 H new ATOM 0 HA ILE A 42 2.065 -4.487 6.015 1.00 1.00 H new ATOM 0 HB ILE A 42 0.327 -2.585 7.663 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -0.924 -4.581 6.894 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.458 -3.151 6.032 1.00 1.00 H new ATOM 0 HG21 ILE A 42 0.154 -1.263 5.579 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.838 -1.372 6.143 1.00 1.00 H new ATOM 0 HG23 ILE A 42 1.290 -2.376 4.780 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.166 -5.057 4.470 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.005 -3.762 4.090 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.536 -5.214 4.965 1.00 1.00 H new ATOM 618 N VAL A 43 3.075 -3.130 8.804 1.00 1.00 N ATOM 619 CA VAL A 43 4.167 -2.394 9.438 1.00 1.00 C ATOM 620 C VAL A 43 5.499 -3.083 9.186 1.00 1.00 C ATOM 621 O VAL A 43 6.514 -2.427 8.951 1.00 1.00 O ATOM 622 CB VAL A 43 3.915 -2.305 10.947 1.00 1.00 C ATOM 623 CG1 VAL A 43 5.038 -1.511 11.626 1.00 1.00 C ATOM 624 CG2 VAL A 43 2.576 -1.607 11.201 1.00 1.00 C ATOM 0 H VAL A 43 2.422 -3.558 9.461 1.00 1.00 H new ATOM 0 HA VAL A 43 4.207 -1.393 9.009 1.00 1.00 H new ATOM 0 HB VAL A 43 3.891 -3.313 11.361 1.00 1.00 H new ATOM 0 HG11 VAL A 43 4.847 -1.455 12.698 1.00 1.00 H new ATOM 0 HG12 VAL A 43 5.992 -2.009 11.453 1.00 1.00 H new ATOM 0 HG13 VAL A 43 5.074 -0.504 11.211 1.00 1.00 H new ATOM 0 HG21 VAL A 43 2.397 -1.544 12.274 1.00 1.00 H new ATOM 0 HG22 VAL A 43 2.603 -0.603 10.778 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.774 -2.177 10.732 1.00 1.00 H new ATOM 634 N SER A 44 5.503 -4.407 9.245 1.00 1.00 N ATOM 635 CA SER A 44 6.728 -5.154 9.007 1.00 1.00 C ATOM 636 C SER A 44 7.115 -5.044 7.537 1.00 1.00 C ATOM 637 O SER A 44 8.284 -4.905 7.194 1.00 1.00 O ATOM 638 CB SER A 44 6.523 -6.625 9.361 1.00 1.00 C ATOM 639 OG SER A 44 5.460 -7.156 8.581 1.00 1.00 O ATOM 0 H SER A 44 4.684 -4.979 9.453 1.00 1.00 H new ATOM 0 HA SER A 44 7.520 -4.740 9.631 1.00 1.00 H new ATOM 0 HB2 SER A 44 7.439 -7.186 9.176 1.00 1.00 H new ATOM 0 HB3 SER A 44 6.296 -6.727 10.422 1.00 1.00 H new ATOM 0 HG SER A 44 4.802 -6.452 8.403 1.00 1.00 H new ATOM 645 N TYR A 45 6.110 -5.127 6.677 1.00 1.00 N ATOM 646 CA TYR A 45 6.345 -5.058 5.237 1.00 1.00 C ATOM 647 C TYR A 45 7.082 -3.763 4.883 1.00 1.00 C ATOM 648 O TYR A 45 8.155 -3.795 4.280 1.00 1.00 O ATOM 649 CB TYR A 45 5.005 -5.129 4.509 1.00 1.00 C ATOM 650 CG TYR A 45 5.227 -5.081 3.015 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.812 -6.177 2.370 1.00 1.00 C ATOM 652 CD2 TYR A 45 4.835 -3.959 2.270 1.00 1.00 C ATOM 653 CE1 TYR A 45 6.003 -6.154 0.983 1.00 1.00 C ATOM 654 CE2 TYR A 45 5.027 -3.937 0.889 1.00 1.00 C ATOM 655 CZ TYR A 45 5.609 -5.033 0.244 1.00 1.00 C ATOM 656 OH TYR A 45 5.794 -5.013 -1.122 1.00 1.00 O ATOM 0 H TYR A 45 5.132 -5.241 6.945 1.00 1.00 H new ATOM 0 HA TYR A 45 6.967 -5.897 4.927 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.483 -6.047 4.778 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.369 -4.299 4.818 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.116 -7.041 2.942 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.384 -3.112 2.766 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.453 -7.000 0.485 1.00 1.00 H new ATOM 0 HE2 TYR A 45 4.726 -3.072 0.317 1.00 1.00 H new ATOM 0 HH TYR A 45 6.207 -5.854 -1.409 1.00 1.00 H new ATOM 666 N VAL A 46 6.502 -2.626 5.253 1.00 1.00 N ATOM 667 CA VAL A 46 7.119 -1.338 4.962 1.00 1.00 C ATOM 668 C VAL A 46 8.498 -1.249 5.609 1.00 1.00 C ATOM 669 O VAL A 46 9.417 -0.657 5.049 1.00 1.00 O ATOM 670 CB VAL A 46 6.248 -0.188 5.495 1.00 1.00 C ATOM 671 CG1 VAL A 46 4.946 -0.084 4.706 1.00 1.00 C ATOM 672 CG2 VAL A 46 5.946 -0.411 6.978 1.00 1.00 C ATOM 0 H VAL A 46 5.613 -2.570 5.751 1.00 1.00 H new ATOM 0 HA VAL A 46 7.215 -1.251 3.880 1.00 1.00 H new ATOM 0 HB VAL A 46 6.796 0.746 5.375 1.00 1.00 H new ATOM 0 HG11 VAL A 46 4.346 0.736 5.101 1.00 1.00 H new ATOM 0 HG12 VAL A 46 5.171 0.103 3.656 1.00 1.00 H new ATOM 0 HG13 VAL A 46 4.390 -1.017 4.797 1.00 1.00 H new ATOM 0 HG21 VAL A 46 5.329 0.407 7.351 1.00 1.00 H new ATOM 0 HG22 VAL A 46 5.414 -1.354 7.103 1.00 1.00 H new ATOM 0 HG23 VAL A 46 6.880 -0.445 7.538 1.00 1.00 H new ATOM 682 N ARG A 47 8.633 -1.826 6.795 1.00 1.00 N ATOM 683 CA ARG A 47 9.905 -1.780 7.503 1.00 1.00 C ATOM 684 C ARG A 47 11.011 -2.394 6.646 1.00 1.00 C ATOM 685 O ARG A 47 12.122 -1.862 6.588 1.00 1.00 O ATOM 686 CB ARG A 47 9.796 -2.513 8.846 1.00 1.00 C ATOM 687 CG ARG A 47 11.113 -2.372 9.616 1.00 1.00 C ATOM 688 CD ARG A 47 10.974 -2.983 11.013 1.00 1.00 C ATOM 689 NE ARG A 47 12.239 -2.841 11.727 1.00 1.00 N ATOM 690 CZ ARG A 47 12.377 -3.227 12.992 1.00 1.00 C ATOM 691 NH1 ARG A 47 11.378 -3.768 13.629 1.00 1.00 N ATOM 692 NH2 ARG A 47 13.521 -3.069 13.597 1.00 1.00 N ATOM 0 H ARG A 47 7.889 -2.325 7.282 1.00 1.00 H new ATOM 0 HA ARG A 47 10.157 -0.738 7.699 1.00 1.00 H new ATOM 0 HB2 ARG A 47 8.975 -2.100 9.432 1.00 1.00 H new ATOM 0 HB3 ARG A 47 9.571 -3.567 8.680 1.00 1.00 H new ATOM 0 HG2 ARG A 47 11.916 -2.869 9.072 1.00 1.00 H new ATOM 0 HG3 ARG A 47 11.385 -1.320 9.696 1.00 1.00 H new ATOM 0 HD2 ARG A 47 10.175 -2.486 11.563 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.702 -4.036 10.937 1.00 1.00 H new ATOM 0 HE ARG A 47 13.039 -2.435 11.242 1.00 1.00 H new ATOM 0 HH11 ARG A 47 10.483 -3.898 13.158 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.491 -4.062 14.599 1.00 1.00 H new ATOM 0 HH21 ARG A 47 14.307 -2.650 13.100 1.00 1.00 H new ATOM 0 HH22 ARG A 47 13.630 -3.364 14.567 1.00 1.00 H new ATOM 706 N GLU A 48 10.708 -3.503 5.979 1.00 1.00 N ATOM 707 CA GLU A 48 11.697 -4.161 5.126 1.00 1.00 C ATOM 708 C GLU A 48 12.148 -3.224 4.011 1.00 1.00 C ATOM 709 O GLU A 48 13.333 -3.158 3.689 1.00 1.00 O ATOM 710 CB GLU A 48 11.103 -5.429 4.487 1.00 1.00 C ATOM 711 CG GLU A 48 10.795 -6.479 5.558 1.00 1.00 C ATOM 712 CD GLU A 48 12.084 -6.998 6.187 1.00 1.00 C ATOM 713 OE1 GLU A 48 13.124 -6.853 5.566 1.00 1.00 O ATOM 714 OE2 GLU A 48 12.013 -7.530 7.283 1.00 1.00 O ATOM 0 H GLU A 48 9.798 -3.962 6.010 1.00 1.00 H new ATOM 0 HA GLU A 48 12.549 -4.428 5.752 1.00 1.00 H new ATOM 0 HB2 GLU A 48 10.192 -5.177 3.945 1.00 1.00 H new ATOM 0 HB3 GLU A 48 11.804 -5.839 3.759 1.00 1.00 H new ATOM 0 HG2 GLU A 48 10.157 -6.045 6.328 1.00 1.00 H new ATOM 0 HG3 GLU A 48 10.241 -7.307 5.115 1.00 1.00 H new ATOM 721 N LYS A 49 11.195 -2.518 3.407 1.00 1.00 N ATOM 722 CA LYS A 49 11.500 -1.606 2.303 1.00 1.00 C ATOM 723 C LYS A 49 11.824 -0.213 2.844 1.00 1.00 C ATOM 724 O LYS A 49 11.384 0.156 3.932 1.00 1.00 O ATOM 725 CB LYS A 49 10.302 -1.527 1.336 1.00 1.00 C ATOM 726 CG LYS A 49 9.737 -2.934 1.028 1.00 1.00 C ATOM 727 CD LYS A 49 10.734 -3.756 0.198 1.00 1.00 C ATOM 728 CE LYS A 49 10.120 -5.119 -0.148 1.00 1.00 C ATOM 729 NZ LYS A 49 10.005 -5.945 1.089 1.00 1.00 N ATOM 0 H LYS A 49 10.208 -2.558 3.661 1.00 1.00 H new ATOM 0 HA LYS A 49 12.368 -1.987 1.764 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.520 -0.906 1.772 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.611 -1.046 0.408 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.518 -3.454 1.960 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.796 -2.842 0.486 1.00 1.00 H new ATOM 0 HD2 LYS A 49 10.990 -3.220 -0.716 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.660 -3.895 0.757 1.00 1.00 H new ATOM 0 HE2 LYS A 49 9.137 -4.982 -0.599 1.00 1.00 H new ATOM 0 HE3 LYS A 49 10.740 -5.632 -0.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 9.800 -6.931 0.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 10.899 -5.904 1.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 9.235 -5.576 1.682 1.00 1.00 H new ATOM 743 N GLN A 50 12.609 0.552 2.075 1.00 1.00 N ATOM 744 CA GLN A 50 13.013 1.912 2.469 1.00 1.00 C ATOM 745 C GLN A 50 12.402 2.954 1.539 1.00 1.00 C ATOM 746 O GLN A 50 11.617 2.624 0.651 1.00 1.00 O ATOM 747 CB GLN A 50 14.548 2.031 2.448 1.00 1.00 C ATOM 748 CG GLN A 50 15.109 1.555 1.094 1.00 1.00 C ATOM 749 CD GLN A 50 15.055 0.030 0.995 1.00 1.00 C ATOM 750 OE1 GLN A 50 14.178 -0.517 0.327 1.00 1.00 O ATOM 751 NE2 GLN A 50 15.945 -0.689 1.624 1.00 1.00 N ATOM 0 H GLN A 50 12.979 0.253 1.173 1.00 1.00 H new ATOM 0 HA GLN A 50 12.648 2.097 3.479 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.841 3.066 2.626 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.976 1.436 3.255 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.535 1.998 0.280 1.00 1.00 H new ATOM 0 HG3 GLN A 50 16.138 1.896 0.981 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.671 -0.233 2.177 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.915 -1.707 1.562 1.00 1.00 H new ATOM 760 N ALA A 51 12.764 4.216 1.754 1.00 1.00 N ATOM 761 CA ALA A 51 12.243 5.301 0.935 1.00 1.00 C ATOM 762 C ALA A 51 12.756 5.175 -0.494 1.00 1.00 C ATOM 763 O ALA A 51 13.920 4.848 -0.716 1.00 1.00 O ATOM 764 CB ALA A 51 12.686 6.643 1.526 1.00 1.00 C ATOM 0 H ALA A 51 13.412 4.509 2.485 1.00 1.00 H new ATOM 0 HA ALA A 51 11.154 5.248 0.923 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.297 7.456 0.914 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.302 6.738 2.542 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.775 6.691 1.544 1.00 1.00 H new ATOM 770 N GLY A 52 11.877 5.429 -1.463 1.00 1.00 N ATOM 771 CA GLY A 52 12.255 5.335 -2.872 1.00 1.00 C ATOM 772 C GLY A 52 12.047 3.917 -3.390 1.00 1.00 C ATOM 773 O GLY A 52 12.331 3.627 -4.551 1.00 1.00 O ATOM 0 H GLY A 52 10.907 5.699 -1.300 1.00 1.00 H new ATOM 0 HA2 GLY A 52 11.661 6.034 -3.461 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.299 5.623 -2.994 1.00 1.00 H new ATOM 777 N ASP A 53 11.557 3.028 -2.521 1.00 1.00 N ATOM 778 CA ASP A 53 11.331 1.640 -2.917 1.00 1.00 C ATOM 779 C ASP A 53 10.093 1.530 -3.804 1.00 1.00 C ATOM 780 O ASP A 53 9.431 2.522 -4.094 1.00 1.00 O ATOM 781 CB ASP A 53 11.166 0.751 -1.680 1.00 1.00 C ATOM 782 CG ASP A 53 11.147 -0.718 -2.097 1.00 1.00 C ATOM 783 OD1 ASP A 53 12.186 -1.212 -2.501 1.00 1.00 O ATOM 784 OD2 ASP A 53 10.093 -1.326 -2.005 1.00 1.00 O ATOM 0 H ASP A 53 11.313 3.242 -1.554 1.00 1.00 H new ATOM 0 HA ASP A 53 12.199 1.301 -3.482 1.00 1.00 H new ATOM 0 HB2 ASP A 53 11.983 0.929 -0.981 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.241 1.003 -1.161 1.00 1.00 H new ATOM 789 N ARG A 54 9.792 0.308 -4.234 1.00 1.00 N ATOM 790 CA ARG A 54 8.637 0.039 -5.091 1.00 1.00 C ATOM 791 C ARG A 54 7.977 -1.248 -4.636 1.00 1.00 C ATOM 792 O ARG A 54 8.622 -2.294 -4.563 1.00 1.00 O ATOM 793 CB ARG A 54 9.091 -0.111 -6.543 1.00 1.00 C ATOM 794 CG ARG A 54 7.877 -0.330 -7.450 1.00 1.00 C ATOM 795 CD ARG A 54 8.324 -0.375 -8.917 1.00 1.00 C ATOM 796 NE ARG A 54 7.186 -0.657 -9.786 1.00 1.00 N ATOM 797 CZ ARG A 54 7.332 -0.755 -11.105 1.00 1.00 C ATOM 798 NH1 ARG A 54 8.507 -0.596 -11.650 1.00 1.00 N ATOM 799 NH2 ARG A 54 6.296 -1.011 -11.853 1.00 1.00 N ATOM 0 H ARG A 54 10.338 -0.521 -4.001 1.00 1.00 H new ATOM 0 HA ARG A 54 7.931 0.867 -5.022 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.634 0.780 -6.857 1.00 1.00 H new ATOM 0 HB3 ARG A 54 9.779 -0.952 -6.633 1.00 1.00 H new ATOM 0 HG2 ARG A 54 7.377 -1.261 -7.184 1.00 1.00 H new ATOM 0 HG3 ARG A 54 7.154 0.473 -7.305 1.00 1.00 H new ATOM 0 HD2 ARG A 54 8.776 0.577 -9.196 1.00 1.00 H new ATOM 0 HD3 ARG A 54 9.088 -1.141 -9.048 1.00 1.00 H new ATOM 0 HE ARG A 54 6.261 -0.781 -9.374 1.00 1.00 H new ATOM 0 HH11 ARG A 54 9.318 -0.396 -11.065 1.00 1.00 H new ATOM 0 HH12 ARG A 54 8.615 -0.672 -12.661 1.00 1.00 H new ATOM 0 HH21 ARG A 54 5.378 -1.135 -11.427 1.00 1.00 H new ATOM 0 HH22 ARG A 54 6.404 -1.087 -12.864 1.00 1.00 H new ATOM 813 N VAL A 55 6.693 -1.159 -4.315 1.00 1.00 N ATOM 814 CA VAL A 55 5.933 -2.319 -3.839 1.00 1.00 C ATOM 815 C VAL A 55 4.623 -2.492 -4.604 1.00 1.00 C ATOM 816 O VAL A 55 3.877 -1.541 -4.835 1.00 1.00 O ATOM 817 CB VAL A 55 5.647 -2.169 -2.341 1.00 1.00 C ATOM 818 CG1 VAL A 55 6.951 -2.309 -1.552 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.044 -0.796 -2.062 1.00 1.00 C ATOM 0 H VAL A 55 6.151 -0.297 -4.374 1.00 1.00 H new ATOM 0 HA VAL A 55 6.537 -3.209 -4.013 1.00 1.00 H new ATOM 0 HB VAL A 55 4.945 -2.945 -2.036 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.745 -2.202 -0.487 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.387 -3.290 -1.741 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.651 -1.535 -1.866 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.843 -0.697 -0.995 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.744 -0.021 -2.373 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.113 -0.688 -2.618 1.00 1.00 H new ATOM 829 N ARG A 56 4.370 -3.736 -4.987 1.00 1.00 N ATOM 830 CA ARG A 56 3.161 -4.098 -5.723 1.00 1.00 C ATOM 831 C ARG A 56 2.059 -4.427 -4.718 1.00 1.00 C ATOM 832 O ARG A 56 2.231 -5.292 -3.859 1.00 1.00 O ATOM 833 CB ARG A 56 3.449 -5.320 -6.628 1.00 1.00 C ATOM 834 CG ARG A 56 4.073 -4.882 -7.970 1.00 1.00 C ATOM 835 CD ARG A 56 5.434 -4.215 -7.734 1.00 1.00 C ATOM 836 NE ARG A 56 6.077 -3.901 -9.010 1.00 1.00 N ATOM 837 CZ ARG A 56 6.724 -4.828 -9.710 1.00 1.00 C ATOM 838 NH1 ARG A 56 6.788 -6.052 -9.267 1.00 1.00 N ATOM 839 NH2 ARG A 56 7.294 -4.512 -10.837 1.00 1.00 N ATOM 0 H ARG A 56 4.993 -4.522 -4.798 1.00 1.00 H new ATOM 0 HA ARG A 56 2.841 -3.269 -6.355 1.00 1.00 H new ATOM 0 HB2 ARG A 56 4.125 -6.005 -6.116 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.523 -5.865 -6.814 1.00 1.00 H new ATOM 0 HG2 ARG A 56 4.193 -5.747 -8.622 1.00 1.00 H new ATOM 0 HG3 ARG A 56 3.404 -4.189 -8.480 1.00 1.00 H new ATOM 0 HD2 ARG A 56 5.303 -3.303 -7.152 1.00 1.00 H new ATOM 0 HD3 ARG A 56 6.074 -4.877 -7.150 1.00 1.00 H new ATOM 0 HE ARG A 56 6.028 -2.948 -9.371 1.00 1.00 H new ATOM 0 HH11 ARG A 56 6.342 -6.299 -8.384 1.00 1.00 H new ATOM 0 HH12 ARG A 56 7.284 -6.763 -9.804 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.244 -3.554 -11.183 1.00 1.00 H new ATOM 0 HH22 ARG A 56 7.790 -5.223 -11.374 1.00 1.00 H new ATOM 853 N VAL A 57 0.938 -3.710 -4.816 1.00 1.00 N ATOM 854 CA VAL A 57 -0.195 -3.907 -3.892 1.00 1.00 C ATOM 855 C VAL A 57 -1.430 -4.408 -4.639 1.00 1.00 C ATOM 856 O VAL A 57 -1.825 -3.843 -5.652 1.00 1.00 O ATOM 857 CB VAL A 57 -0.512 -2.576 -3.197 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.799 -2.695 -2.355 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.664 -2.190 -2.293 1.00 1.00 C ATOM 0 H VAL A 57 0.785 -2.989 -5.521 1.00 1.00 H new ATOM 0 HA VAL A 57 0.081 -4.659 -3.152 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.667 -1.808 -3.954 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.006 -1.741 -1.870 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.634 -2.962 -3.003 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.667 -3.466 -1.596 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.446 -1.245 -1.796 1.00 1.00 H new ATOM 0 HG22 VAL A 57 0.818 -2.967 -1.544 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.566 -2.083 -2.895 1.00 1.00 H new ATOM 869 N THR A 58 -2.044 -5.481 -4.123 1.00 1.00 N ATOM 870 CA THR A 58 -3.240 -6.065 -4.737 1.00 1.00 C ATOM 871 C THR A 58 -4.493 -5.549 -4.047 1.00 1.00 C ATOM 872 O THR A 58 -4.561 -5.504 -2.819 1.00 1.00 O ATOM 873 CB THR A 58 -3.181 -7.593 -4.607 1.00 1.00 C ATOM 874 OG1 THR A 58 -2.001 -8.074 -5.231 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.400 -8.225 -5.281 1.00 1.00 C ATOM 0 H THR A 58 -1.730 -5.962 -3.280 1.00 1.00 H new ATOM 0 HA THR A 58 -3.273 -5.782 -5.789 1.00 1.00 H new ATOM 0 HB THR A 58 -3.177 -7.860 -3.550 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.961 -9.050 -5.147 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.348 -9.309 -5.183 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.310 -7.860 -4.804 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.412 -7.956 -6.337 1.00 1.00 H new ATOM 883 N PHE A 59 -5.504 -5.189 -4.838 1.00 1.00 N ATOM 884 CA PHE A 59 -6.775 -4.711 -4.276 1.00 1.00 C ATOM 885 C PHE A 59 -7.932 -5.146 -5.182 1.00 1.00 C ATOM 886 O PHE A 59 -7.737 -5.315 -6.387 1.00 1.00 O ATOM 887 CB PHE A 59 -6.745 -3.178 -4.133 1.00 1.00 C ATOM 888 CG PHE A 59 -6.906 -2.506 -5.485 1.00 1.00 C ATOM 889 CD1 PHE A 59 -8.190 -2.283 -5.997 1.00 1.00 C ATOM 890 CD2 PHE A 59 -5.784 -2.099 -6.219 1.00 1.00 C ATOM 891 CE1 PHE A 59 -8.354 -1.656 -7.232 1.00 1.00 C ATOM 892 CE2 PHE A 59 -5.952 -1.473 -7.460 1.00 1.00 C ATOM 893 CZ PHE A 59 -7.237 -1.251 -7.964 1.00 1.00 C ATOM 0 H PHE A 59 -5.473 -5.217 -5.857 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.920 -5.145 -3.287 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.543 -2.855 -3.464 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.804 -2.869 -3.678 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -9.056 -2.598 -5.434 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -4.791 -2.268 -5.828 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -9.346 -1.484 -7.622 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -5.088 -1.161 -8.028 1.00 1.00 H new ATOM 0 HZ PHE A 59 -7.365 -0.766 -8.920 1.00 1.00 H new ATOM 903 N ILE A 60 -9.133 -5.343 -4.613 1.00 1.00 N ATOM 904 CA ILE A 60 -10.306 -5.776 -5.392 1.00 1.00 C ATOM 905 C ILE A 60 -11.351 -4.662 -5.443 1.00 1.00 C ATOM 906 O ILE A 60 -11.640 -4.014 -4.436 1.00 1.00 O ATOM 907 CB ILE A 60 -10.904 -7.062 -4.739 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.220 -8.311 -5.327 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.422 -7.161 -4.988 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.705 -8.249 -5.091 1.00 1.00 C ATOM 0 H ILE A 60 -9.317 -5.210 -3.619 1.00 1.00 H new ATOM 0 HA ILE A 60 -10.003 -5.999 -6.415 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.728 -7.005 -3.665 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.630 -9.210 -4.866 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.426 -8.378 -6.395 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.809 -8.067 -4.521 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.919 -6.291 -4.559 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.613 -7.195 -6.061 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.235 -9.138 -5.512 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.298 -7.360 -5.573 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.505 -8.205 -4.020 1.00 1.00 H new ATOM 922 N ARG A 61 -11.929 -4.461 -6.631 1.00 1.00 N ATOM 923 CA ARG A 61 -12.966 -3.455 -6.835 1.00 1.00 C ATOM 924 C ARG A 61 -14.089 -4.046 -7.695 1.00 1.00 C ATOM 925 O ARG A 61 -13.870 -4.460 -8.826 1.00 1.00 O ATOM 926 CB ARG A 61 -12.348 -2.215 -7.510 1.00 1.00 C ATOM 927 CG ARG A 61 -13.453 -1.291 -8.085 1.00 1.00 C ATOM 928 CD ARG A 61 -12.923 0.142 -8.280 1.00 1.00 C ATOM 929 NE ARG A 61 -12.999 0.852 -7.005 1.00 1.00 N ATOM 930 CZ ARG A 61 -13.003 2.180 -6.943 1.00 1.00 C ATOM 931 NH1 ARG A 61 -12.894 2.886 -8.033 1.00 1.00 N ATOM 932 NH2 ARG A 61 -13.113 2.776 -5.790 1.00 1.00 N ATOM 0 H ARG A 61 -11.691 -4.989 -7.471 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.389 -3.153 -5.877 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.747 -1.664 -6.787 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.677 -2.528 -8.310 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.804 -1.686 -9.038 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -14.309 -1.278 -7.411 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.894 0.118 -8.637 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -13.511 0.662 -9.037 1.00 1.00 H new ATOM 0 HE ARG A 61 -13.050 0.314 -6.140 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -12.805 2.420 -8.936 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -12.897 3.905 -7.983 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -13.196 2.224 -4.936 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -13.116 3.795 -5.741 1.00 1.00 H new ATOM 946 N ASP A 62 -15.295 -4.069 -7.143 1.00 1.00 N ATOM 947 CA ASP A 62 -16.449 -4.599 -7.868 1.00 1.00 C ATOM 948 C ASP A 62 -16.135 -5.976 -8.456 1.00 1.00 C ATOM 949 O ASP A 62 -16.538 -6.278 -9.577 1.00 1.00 O ATOM 950 CB ASP A 62 -16.837 -3.636 -8.999 1.00 1.00 C ATOM 951 CG ASP A 62 -17.393 -2.337 -8.419 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.695 -2.318 -7.237 1.00 1.00 O ATOM 953 OD2 ASP A 62 -17.513 -1.381 -9.168 1.00 1.00 O ATOM 0 H ASP A 62 -15.502 -3.730 -6.203 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.279 -4.699 -7.168 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.966 -3.422 -9.619 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.581 -4.103 -9.644 1.00 1.00 H new ATOM 958 N ARG A 63 -15.413 -6.801 -7.700 1.00 1.00 N ATOM 959 CA ARG A 63 -15.050 -8.146 -8.151 1.00 1.00 C ATOM 960 C ARG A 63 -13.963 -8.103 -9.230 1.00 1.00 C ATOM 961 O ARG A 63 -13.700 -9.112 -9.882 1.00 1.00 O ATOM 962 CB ARG A 63 -16.302 -8.903 -8.674 1.00 1.00 C ATOM 963 CG ARG A 63 -16.111 -10.427 -8.538 1.00 1.00 C ATOM 964 CD ARG A 63 -17.359 -11.156 -9.043 1.00 1.00 C ATOM 965 NE ARG A 63 -17.246 -12.583 -8.753 1.00 1.00 N ATOM 966 CZ ARG A 63 -18.227 -13.430 -9.046 1.00 1.00 C ATOM 967 NH1 ARG A 63 -19.321 -12.997 -9.605 1.00 1.00 N ATOM 968 NH2 ARG A 63 -18.097 -14.700 -8.772 1.00 1.00 N ATOM 0 H ARG A 63 -15.067 -6.562 -6.771 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.647 -8.684 -7.293 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -17.183 -8.590 -8.114 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -16.480 -8.645 -9.718 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -15.238 -10.745 -9.108 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.924 -10.687 -7.496 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -18.249 -10.747 -8.565 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.474 -11.001 -10.116 1.00 1.00 H new ATOM 0 HE ARG A 63 -16.395 -12.937 -8.316 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -19.426 -12.005 -9.819 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -20.072 -13.650 -9.829 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -17.242 -15.042 -8.333 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -18.850 -15.350 -8.997 1.00 1.00 H new ATOM 982 N LYS A 64 -13.328 -6.937 -9.416 1.00 1.00 N ATOM 983 CA LYS A 64 -12.266 -6.787 -10.420 1.00 1.00 C ATOM 984 C LYS A 64 -10.913 -6.598 -9.739 1.00 1.00 C ATOM 985 O LYS A 64 -10.592 -5.509 -9.273 1.00 1.00 O ATOM 986 CB LYS A 64 -12.557 -5.566 -11.295 1.00 1.00 C ATOM 987 CG LYS A 64 -13.961 -5.679 -11.937 1.00 1.00 C ATOM 988 CD LYS A 64 -14.418 -4.307 -12.471 1.00 1.00 C ATOM 989 CE LYS A 64 -13.309 -3.659 -13.315 1.00 1.00 C ATOM 990 NZ LYS A 64 -13.878 -2.533 -14.109 1.00 1.00 N ATOM 0 H LYS A 64 -13.530 -6.088 -8.887 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.237 -7.688 -11.033 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.498 -4.659 -10.694 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.800 -5.482 -12.075 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.939 -6.404 -12.750 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.676 -6.047 -11.201 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -15.318 -4.427 -13.074 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.677 -3.654 -11.638 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -12.512 -3.294 -12.668 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -12.865 -4.399 -13.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -13.126 -2.096 -14.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -14.624 -2.894 -14.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -14.281 -1.823 -13.465 1.00 1.00 H new ATOM 1004 N GLN A 65 -10.136 -7.677 -9.669 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.827 -7.638 -9.031 1.00 1.00 C ATOM 1006 C GLN A 65 -7.809 -6.870 -9.875 1.00 1.00 C ATOM 1007 O GLN A 65 -7.628 -7.136 -11.062 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.341 -9.072 -8.775 1.00 1.00 C ATOM 1009 CG GLN A 65 -8.260 -9.844 -10.097 1.00 1.00 C ATOM 1010 CD GLN A 65 -7.992 -11.319 -9.828 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -8.165 -11.787 -8.702 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -7.573 -12.079 -10.800 1.00 1.00 N ATOM 0 H GLN A 65 -10.393 -8.589 -10.047 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.923 -7.110 -8.082 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.362 -9.053 -8.296 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -9.021 -9.578 -8.090 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -9.192 -9.731 -10.650 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -7.467 -9.430 -10.720 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -7.432 -11.686 -11.730 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -7.386 -13.067 -10.630 1.00 1.00 H new ATOM 1021 N HIS A 66 -7.148 -5.897 -9.244 1.00 1.00 N ATOM 1022 CA HIS A 66 -6.136 -5.074 -9.923 1.00 1.00 C ATOM 1023 C HIS A 66 -5.001 -4.704 -8.974 1.00 1.00 C ATOM 1024 O HIS A 66 -5.218 -4.424 -7.796 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.761 -3.790 -10.454 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.799 -4.110 -11.482 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.476 -4.561 -12.751 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -9.159 -4.025 -11.444 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.628 -4.728 -13.424 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.688 -4.414 -12.672 1.00 1.00 N ATOM 0 H HIS A 66 -7.293 -5.657 -8.263 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.738 -5.664 -10.749 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -7.211 -3.229 -9.634 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.990 -3.154 -10.890 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.537 -4.735 -13.109 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.738 -3.705 -10.591 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.689 -5.073 -14.446 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.788 -4.716 -9.513 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.585 -4.391 -8.754 1.00 1.00 C ATOM 1041 C GLU A 67 -2.288 -2.901 -8.833 1.00 1.00 C ATOM 1042 O GLU A 67 -2.547 -2.253 -9.846 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.396 -5.174 -9.317 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.595 -6.671 -9.067 1.00 1.00 C ATOM 1045 CD GLU A 67 -0.440 -7.464 -9.677 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.472 -6.844 -10.202 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -0.482 -8.681 -9.606 1.00 1.00 O ATOM 0 H GLU A 67 -3.610 -4.951 -10.489 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.749 -4.663 -7.711 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.298 -4.985 -10.386 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.472 -4.837 -8.847 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.653 -6.864 -7.996 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.540 -6.998 -9.501 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.743 -2.373 -7.740 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.394 -0.949 -7.636 1.00 1.00 C ATOM 1056 C ALA A 68 0.086 -0.769 -7.305 1.00 1.00 C ATOM 1057 O ALA A 68 0.617 -1.388 -6.385 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.247 -0.299 -6.542 1.00 1.00 C ATOM 0 H ALA A 68 -1.529 -2.913 -6.902 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.589 -0.472 -8.597 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -1.992 0.758 -6.461 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.302 -0.399 -6.796 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.055 -0.793 -5.589 1.00 1.00 H new ATOM 1064 N GLU A 69 0.737 0.095 -8.074 1.00 1.00 N ATOM 1065 CA GLU A 69 2.165 0.381 -7.885 1.00 1.00 C ATOM 1066 C GLU A 69 2.355 1.578 -6.952 1.00 1.00 C ATOM 1067 O GLU A 69 2.136 2.723 -7.341 1.00 1.00 O ATOM 1068 CB GLU A 69 2.817 0.665 -9.243 1.00 1.00 C ATOM 1069 CG GLU A 69 4.325 0.888 -9.068 1.00 1.00 C ATOM 1070 CD GLU A 69 4.995 1.046 -10.432 1.00 1.00 C ATOM 1071 OE1 GLU A 69 4.383 0.671 -11.420 1.00 1.00 O ATOM 1072 OE2 GLU A 69 6.108 1.545 -10.468 1.00 1.00 O ATOM 0 H GLU A 69 0.303 0.614 -8.838 1.00 1.00 H new ATOM 0 HA GLU A 69 2.640 -0.488 -7.430 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.641 -0.170 -9.921 1.00 1.00 H new ATOM 0 HB3 GLU A 69 2.362 1.545 -9.697 1.00 1.00 H new ATOM 0 HG2 GLU A 69 4.501 1.777 -8.463 1.00 1.00 H new ATOM 0 HG3 GLU A 69 4.765 0.046 -8.533 1.00 1.00 H new ATOM 1079 N LEU A 70 2.767 1.290 -5.712 1.00 1.00 N ATOM 1080 CA LEU A 70 2.995 2.331 -4.695 1.00 1.00 C ATOM 1081 C LEU A 70 4.486 2.444 -4.387 1.00 1.00 C ATOM 1082 O LEU A 70 5.217 1.455 -4.417 1.00 1.00 O ATOM 1083 CB LEU A 70 2.206 1.998 -3.407 1.00 1.00 C ATOM 1084 CG LEU A 70 0.741 2.490 -3.510 1.00 1.00 C ATOM 1085 CD1 LEU A 70 0.038 1.885 -4.744 1.00 1.00 C ATOM 1086 CD2 LEU A 70 -0.012 2.083 -2.237 1.00 1.00 C ATOM 0 H LEU A 70 2.951 0.342 -5.385 1.00 1.00 H new ATOM 0 HA LEU A 70 2.644 3.287 -5.083 1.00 1.00 H new ATOM 0 HB2 LEU A 70 2.221 0.922 -3.236 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.690 2.464 -2.549 1.00 1.00 H new ATOM 0 HG LEU A 70 0.741 3.575 -3.618 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -0.989 2.247 -4.792 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.570 2.182 -5.648 1.00 1.00 H new ATOM 0 HD13 LEU A 70 0.036 0.798 -4.665 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -1.045 2.425 -2.300 1.00 1.00 H new ATOM 0 HD22 LEU A 70 0.005 0.998 -2.135 1.00 1.00 H new ATOM 0 HD23 LEU A 70 0.468 2.536 -1.370 1.00 1.00 H new ATOM 1098 N VAL A 71 4.920 3.669 -4.091 1.00 1.00 N ATOM 1099 CA VAL A 71 6.320 3.961 -3.767 1.00 1.00 C ATOM 1100 C VAL A 71 6.420 4.454 -2.323 1.00 1.00 C ATOM 1101 O VAL A 71 5.691 5.354 -1.906 1.00 1.00 O ATOM 1102 CB VAL A 71 6.845 5.055 -4.721 1.00 1.00 C ATOM 1103 CG1 VAL A 71 8.202 5.617 -4.234 1.00 1.00 C ATOM 1104 CG2 VAL A 71 7.014 4.464 -6.123 1.00 1.00 C ATOM 0 H VAL A 71 4.313 4.488 -4.069 1.00 1.00 H new ATOM 0 HA VAL A 71 6.917 3.056 -3.882 1.00 1.00 H new ATOM 0 HB VAL A 71 6.123 5.871 -4.740 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.547 6.386 -4.926 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.081 6.050 -3.241 1.00 1.00 H new ATOM 0 HG13 VAL A 71 8.935 4.812 -4.192 1.00 1.00 H new ATOM 0 HG21 VAL A 71 7.385 5.234 -6.800 1.00 1.00 H new ATOM 0 HG22 VAL A 71 7.726 3.639 -6.087 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.052 4.098 -6.482 1.00 1.00 H new ATOM 1114 N LEU A 72 7.334 3.853 -1.578 1.00 1.00 N ATOM 1115 CA LEU A 72 7.546 4.214 -0.186 1.00 1.00 C ATOM 1116 C LEU A 72 8.090 5.636 -0.072 1.00 1.00 C ATOM 1117 O LEU A 72 9.023 6.000 -0.783 1.00 1.00 O ATOM 1118 CB LEU A 72 8.567 3.230 0.411 1.00 1.00 C ATOM 1119 CG LEU A 72 7.901 1.888 0.766 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.923 2.046 1.962 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.142 1.331 -0.453 1.00 1.00 C ATOM 0 H LEU A 72 7.944 3.109 -1.917 1.00 1.00 H new ATOM 0 HA LEU A 72 6.598 4.167 0.351 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.374 3.062 -0.302 1.00 1.00 H new ATOM 0 HB3 LEU A 72 9.016 3.664 1.304 1.00 1.00 H new ATOM 0 HG LEU A 72 8.688 1.190 1.053 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.468 1.082 2.190 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.470 2.404 2.834 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.144 2.763 1.703 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.676 0.382 -0.189 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.373 2.041 -0.758 1.00 1.00 H new ATOM 0 HD23 LEU A 72 7.840 1.176 -1.276 1.00 1.00 H new ATOM 1133 N LYS A 73 7.504 6.443 0.831 1.00 1.00 N ATOM 1134 CA LYS A 73 7.948 7.831 1.030 1.00 1.00 C ATOM 1135 C LYS A 73 7.947 8.172 2.542 1.00 1.00 C ATOM 1136 O LYS A 73 7.039 7.761 3.263 1.00 1.00 O ATOM 1137 CB LYS A 73 6.994 8.785 0.278 1.00 1.00 C ATOM 1138 CG LYS A 73 7.307 8.798 -1.243 1.00 1.00 C ATOM 1139 CD LYS A 73 8.429 9.802 -1.560 1.00 1.00 C ATOM 1140 CE LYS A 73 8.774 9.723 -3.048 1.00 1.00 C ATOM 1141 NZ LYS A 73 7.532 9.886 -3.856 1.00 1.00 N ATOM 0 H LYS A 73 6.728 6.159 1.429 1.00 1.00 H new ATOM 0 HA LYS A 73 8.960 7.948 0.642 1.00 1.00 H new ATOM 0 HB2 LYS A 73 5.962 8.474 0.438 1.00 1.00 H new ATOM 0 HB3 LYS A 73 7.089 9.793 0.681 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.603 7.800 -1.567 1.00 1.00 H new ATOM 0 HG3 LYS A 73 6.409 9.061 -1.802 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.112 10.812 -1.302 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.311 9.581 -0.958 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.494 10.500 -3.307 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.244 8.765 -3.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 7.783 10.170 -4.825 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 7.014 8.984 -3.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 6.931 10.618 -3.426 1.00 1.00 H new