USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 TYR OH : rot 30:sc= 0.731 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -159:sc= 0.829 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.04 (180deg=-0.105!) USER MOD Single : A 14 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.667 K(o=0.67,f=-8.9!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 MET CE :methyl 141:sc= -0.487 (180deg=-1.91) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -48:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 49 TYR OH : rot -153:sc= 1.13 USER MOD Single : A 50 SER OG : rot -78:sc= 1.16 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.974 K(o=0.97,f=-4.8!) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= 1.04 (180deg=0.0777) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.34 F(o=-0.87,f=-0.34) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.09) USER MOD Single : A 63 TYR OH : rot 0:sc= 0 USER MOD Single : A 65 MET CE :methyl -113:sc= -0.524 (180deg=-1.7) USER MOD Single : A 71 GLN : amide:sc= 0.00866 X(o=0.0087,f=-0.41) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0155 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.7!) USER MOD Single : A 83 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.7!) USER MOD Single : A 84 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.18) USER MOD Single : A 88 THR OG1 : rot 72:sc= 0.25 USER MOD Single : A 89 THR OG1 : rot -109:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.263 9.051 5.731 1.00 0.00 N ATOM 85 CA ASP A 6 -8.923 7.934 5.085 1.00 0.00 C ATOM 86 C ASP A 6 -9.289 6.863 6.107 1.00 0.00 C ATOM 87 O ASP A 6 -8.428 6.436 6.907 1.00 0.00 O ATOM 88 CB ASP A 6 -8.036 7.325 4.010 1.00 0.00 C ATOM 89 CG ASP A 6 -8.783 6.339 3.152 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.927 5.175 3.547 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.262 6.741 2.069 1.00 0.00 O ATOM 0 HA ASP A 6 -9.833 8.312 4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.632 8.119 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.188 6.827 4.480 1.00 0.00 H new ATOM 96 N PRO A 7 -10.562 6.426 6.123 1.00 0.00 N ATOM 97 CA PRO A 7 -11.033 5.398 7.047 1.00 0.00 C ATOM 98 C PRO A 7 -10.336 4.046 6.853 1.00 0.00 C ATOM 99 O PRO A 7 -10.096 3.330 7.818 1.00 0.00 O ATOM 100 CB PRO A 7 -12.528 5.269 6.730 1.00 0.00 C ATOM 101 CG PRO A 7 -12.883 6.527 6.021 1.00 0.00 C ATOM 102 CD PRO A 7 -11.659 6.922 5.263 1.00 0.00 C ATOM 0 HA PRO A 7 -10.822 5.678 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.725 4.396 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.115 5.150 7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.727 6.373 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.175 7.305 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.633 6.467 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.603 8.001 5.120 1.00 0.00 H new ATOM 110 N GLU A 8 -10.000 3.697 5.627 1.00 0.00 N ATOM 111 CA GLU A 8 -9.372 2.410 5.377 1.00 0.00 C ATOM 112 C GLU A 8 -7.920 2.463 5.800 1.00 0.00 C ATOM 113 O GLU A 8 -7.357 1.488 6.314 1.00 0.00 O ATOM 114 CB GLU A 8 -9.496 1.981 3.912 1.00 0.00 C ATOM 115 CG GLU A 8 -10.909 2.035 3.366 1.00 0.00 C ATOM 116 CD GLU A 8 -11.923 1.384 4.277 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.012 0.144 4.331 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.665 2.106 4.960 1.00 0.00 O ATOM 0 H GLU A 8 -10.147 4.274 4.799 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.896 1.659 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.858 2.621 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.118 0.964 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.190 3.076 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.935 1.543 2.393 1.00 0.00 H new ATOM 125 N PHE A 9 -7.329 3.625 5.612 1.00 0.00 N ATOM 126 CA PHE A 9 -5.941 3.857 5.959 1.00 0.00 C ATOM 127 C PHE A 9 -5.736 3.735 7.466 1.00 0.00 C ATOM 128 O PHE A 9 -4.748 3.147 7.931 1.00 0.00 O ATOM 129 CB PHE A 9 -5.489 5.228 5.456 1.00 0.00 C ATOM 130 CG PHE A 9 -4.028 5.494 5.624 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.130 5.120 4.646 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.556 6.119 6.755 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.789 5.367 4.796 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.218 6.367 6.915 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.332 5.994 5.936 1.00 0.00 C ATOM 0 H PHE A 9 -7.799 4.438 5.213 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.330 3.096 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.743 5.316 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.050 5.999 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.486 4.628 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.249 6.418 7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.094 5.072 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.861 6.855 7.810 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.277 6.191 6.058 1.00 0.00 H new ATOM 145 N VAL A 10 -6.666 4.271 8.232 1.00 0.00 N ATOM 146 CA VAL A 10 -6.583 4.168 9.671 1.00 0.00 C ATOM 147 C VAL A 10 -6.743 2.695 10.104 1.00 0.00 C ATOM 148 O VAL A 10 -6.132 2.252 11.081 1.00 0.00 O ATOM 149 CB VAL A 10 -7.550 5.132 10.439 1.00 0.00 C ATOM 150 CG1 VAL A 10 -9.005 4.732 10.320 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.128 5.287 11.893 1.00 0.00 C ATOM 0 H VAL A 10 -7.480 4.777 7.884 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.589 4.510 9.958 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.467 6.105 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.623 5.439 10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.299 4.737 9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.142 3.732 10.730 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.817 5.961 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.145 4.313 12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.119 5.697 11.937 1.00 0.00 H new ATOM 161 N LYS A 11 -7.562 1.936 9.364 1.00 0.00 N ATOM 162 CA LYS A 11 -7.708 0.497 9.606 1.00 0.00 C ATOM 163 C LYS A 11 -6.362 -0.190 9.409 1.00 0.00 C ATOM 164 O LYS A 11 -5.970 -0.998 10.216 1.00 0.00 O ATOM 165 CB LYS A 11 -8.748 -0.137 8.679 1.00 0.00 C ATOM 166 CG LYS A 11 -10.146 0.419 8.823 1.00 0.00 C ATOM 167 CD LYS A 11 -11.079 -0.199 7.801 1.00 0.00 C ATOM 168 CE LYS A 11 -12.444 0.458 7.830 1.00 0.00 C ATOM 169 NZ LYS A 11 -13.330 -0.072 6.776 1.00 0.00 N ATOM 0 H LYS A 11 -8.131 2.294 8.596 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.054 0.365 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.424 -0.004 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.777 -1.210 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.519 0.222 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.127 1.501 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.647 -0.100 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.183 -1.266 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.904 0.298 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.332 1.535 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.092 0.610 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.781 -0.227 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.743 -0.974 7.090 1.00 0.00 H new ATOM 183 N LEU A 12 -5.645 0.194 8.345 1.00 0.00 N ATOM 184 CA LEU A 12 -4.297 -0.339 8.046 1.00 0.00 C ATOM 185 C LEU A 12 -3.348 -0.118 9.209 1.00 0.00 C ATOM 186 O LEU A 12 -2.582 -1.011 9.576 1.00 0.00 O ATOM 187 CB LEU A 12 -3.712 0.319 6.798 1.00 0.00 C ATOM 188 CG LEU A 12 -4.432 0.064 5.487 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.818 0.915 4.407 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.321 -1.397 5.103 1.00 0.00 C ATOM 0 H LEU A 12 -5.976 0.880 7.666 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.409 -1.409 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.682 1.396 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.680 -0.016 6.689 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.485 0.319 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.333 0.734 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.912 1.967 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.764 0.661 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.842 -1.566 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.270 -1.665 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.771 -2.013 5.882 1.00 0.00 H new ATOM 202 N ARG A 13 -3.420 1.072 9.793 1.00 0.00 N ATOM 203 CA ARG A 13 -2.604 1.440 10.954 1.00 0.00 C ATOM 204 C ARG A 13 -2.866 0.502 12.132 1.00 0.00 C ATOM 205 O ARG A 13 -1.951 0.118 12.851 1.00 0.00 O ATOM 206 CB ARG A 13 -2.895 2.889 11.372 1.00 0.00 C ATOM 207 CG ARG A 13 -2.348 3.958 10.432 1.00 0.00 C ATOM 208 CD ARG A 13 -0.833 4.005 10.501 1.00 0.00 C ATOM 209 NE ARG A 13 -0.251 5.086 9.694 1.00 0.00 N ATOM 210 CZ ARG A 13 0.960 5.627 9.931 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.690 5.188 10.960 1.00 0.00 N ATOM 212 NH2 ARG A 13 1.425 6.613 9.162 1.00 0.00 N ATOM 0 H ARG A 13 -4.046 1.813 9.478 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.556 1.350 10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.974 3.017 11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.479 3.054 12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.665 3.748 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.760 4.931 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.527 4.130 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.430 3.050 10.163 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.794 5.447 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.330 4.447 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.607 5.594 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.862 6.964 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.343 7.016 9.349 1.00 0.00 H new ATOM 226 N GLN A 14 -4.116 0.144 12.307 1.00 0.00 N ATOM 227 CA GLN A 14 -4.545 -0.729 13.390 1.00 0.00 C ATOM 228 C GLN A 14 -4.272 -2.204 13.058 1.00 0.00 C ATOM 229 O GLN A 14 -4.029 -3.014 13.943 1.00 0.00 O ATOM 230 CB GLN A 14 -6.040 -0.527 13.639 1.00 0.00 C ATOM 231 CG GLN A 14 -6.424 0.893 14.031 1.00 0.00 C ATOM 232 CD GLN A 14 -7.922 1.101 14.039 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.590 0.904 15.045 1.00 0.00 O ATOM 234 NE2 GLN A 14 -8.458 1.517 12.921 1.00 0.00 N ATOM 0 H GLN A 14 -4.876 0.450 11.699 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.978 -0.473 14.285 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.587 -0.803 12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.360 -1.208 14.427 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.023 1.116 15.020 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.965 1.596 13.336 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.872 1.671 12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.462 1.687 12.869 1.00 0.00 H new ATOM 314 N VAL A 19 3.520 -8.367 6.096 1.00 0.00 N ATOM 315 CA VAL A 19 4.016 -8.680 4.791 1.00 0.00 C ATOM 316 C VAL A 19 5.434 -8.163 4.650 1.00 0.00 C ATOM 317 O VAL A 19 5.846 -7.258 5.406 1.00 0.00 O ATOM 318 CB VAL A 19 3.113 -8.048 3.711 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.776 -8.736 3.688 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.903 -6.574 3.991 1.00 0.00 C ATOM 0 HA VAL A 19 4.012 -9.762 4.658 1.00 0.00 H new ATOM 0 HB VAL A 19 3.605 -8.166 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.146 -8.282 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.915 -9.794 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.296 -8.631 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.264 -6.145 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.428 -6.453 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.866 -6.063 3.991 1.00 0.00 H new ATOM 330 N ASN A 20 6.180 -8.727 3.718 1.00 0.00 N ATOM 331 CA ASN A 20 7.559 -8.309 3.506 1.00 0.00 C ATOM 332 C ASN A 20 7.584 -6.889 2.981 1.00 0.00 C ATOM 333 O ASN A 20 6.971 -6.591 1.945 1.00 0.00 O ATOM 334 CB ASN A 20 8.288 -9.214 2.498 1.00 0.00 C ATOM 335 CG ASN A 20 9.811 -8.979 2.444 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.312 -7.890 2.712 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.538 -9.981 2.064 1.00 0.00 N ATOM 0 H ASN A 20 5.860 -9.471 3.098 1.00 0.00 H new ATOM 0 HA ASN A 20 8.071 -8.379 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.099 -10.256 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.868 -9.050 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.549 -9.875 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.099 -10.876 1.847 1.00 0.00 H new ATOM 344 N PHE A 21 8.319 -6.038 3.674 1.00 0.00 N ATOM 345 CA PHE A 21 8.494 -4.642 3.308 1.00 0.00 C ATOM 346 C PHE A 21 8.992 -4.509 1.870 1.00 0.00 C ATOM 347 O PHE A 21 8.551 -3.624 1.127 1.00 0.00 O ATOM 348 CB PHE A 21 9.488 -3.967 4.273 1.00 0.00 C ATOM 349 CG PHE A 21 9.842 -2.551 3.893 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.993 -1.508 4.196 1.00 0.00 C ATOM 351 CD2 PHE A 21 11.018 -2.277 3.204 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.305 -0.220 3.826 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.331 -0.992 2.826 1.00 0.00 C ATOM 354 CZ PHE A 21 10.474 0.039 3.138 1.00 0.00 C ATOM 0 H PHE A 21 8.820 -6.301 4.522 1.00 0.00 H new ATOM 0 HA PHE A 21 7.526 -4.147 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.063 -3.968 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.401 -4.561 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.074 -1.704 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.695 -3.083 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.635 0.590 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.245 -0.793 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.716 1.050 2.845 1.00 0.00 H new ATOM 364 N ASN A 22 9.864 -5.425 1.467 1.00 0.00 N ATOM 365 CA ASN A 22 10.474 -5.370 0.138 1.00 0.00 C ATOM 366 C ASN A 22 9.449 -5.632 -0.907 1.00 0.00 C ATOM 367 O ASN A 22 9.454 -5.007 -1.965 1.00 0.00 O ATOM 368 CB ASN A 22 11.614 -6.379 -0.035 1.00 0.00 C ATOM 369 CG ASN A 22 12.805 -6.128 0.853 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.100 -4.988 1.231 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.509 -7.178 1.189 1.00 0.00 N ATOM 0 H ASN A 22 10.166 -6.215 2.038 1.00 0.00 H new ATOM 0 HA ASN A 22 10.890 -4.368 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.231 -7.380 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.941 -6.365 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.332 -7.072 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.235 -8.103 0.858 1.00 0.00 H new ATOM 378 N LEU A 23 8.534 -6.522 -0.600 1.00 0.00 N ATOM 379 CA LEU A 23 7.546 -6.883 -1.548 1.00 0.00 C ATOM 380 C LEU A 23 6.499 -5.803 -1.645 1.00 0.00 C ATOM 381 O LEU A 23 6.088 -5.481 -2.726 1.00 0.00 O ATOM 382 CB LEU A 23 6.960 -8.269 -1.275 1.00 0.00 C ATOM 383 CG LEU A 23 5.934 -8.790 -2.299 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.481 -8.700 -3.721 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.585 -10.225 -1.989 1.00 0.00 C ATOM 0 H LEU A 23 8.466 -6.999 0.299 1.00 0.00 H new ATOM 0 HA LEU A 23 8.020 -6.964 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.782 -8.983 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.486 -8.253 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 23 5.042 -8.167 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.735 -9.075 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.711 -7.661 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.388 -9.300 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.859 -10.588 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.485 -10.837 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.158 -10.288 -0.988 1.00 0.00 H new ATOM 397 N VAL A 24 6.122 -5.202 -0.511 1.00 0.00 N ATOM 398 CA VAL A 24 5.159 -4.077 -0.517 1.00 0.00 C ATOM 399 C VAL A 24 5.699 -2.952 -1.382 1.00 0.00 C ATOM 400 O VAL A 24 5.005 -2.432 -2.259 1.00 0.00 O ATOM 401 CB VAL A 24 4.900 -3.515 0.900 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.877 -2.382 0.874 1.00 0.00 C ATOM 403 CG2 VAL A 24 4.442 -4.604 1.812 1.00 0.00 C ATOM 0 H VAL A 24 6.459 -5.466 0.415 1.00 0.00 H new ATOM 0 HA VAL A 24 4.219 -4.464 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 24 5.839 -3.108 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.719 -2.011 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.246 -1.573 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.934 -2.753 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.263 -4.195 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.519 -5.037 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.209 -5.377 1.870 1.00 0.00 H new ATOM 413 N MET A 25 6.959 -2.618 -1.150 1.00 0.00 N ATOM 414 CA MET A 25 7.653 -1.597 -1.913 1.00 0.00 C ATOM 415 C MET A 25 7.657 -1.956 -3.402 1.00 0.00 C ATOM 416 O MET A 25 7.429 -1.105 -4.253 1.00 0.00 O ATOM 417 CB MET A 25 9.079 -1.433 -1.374 1.00 0.00 C ATOM 418 CG MET A 25 9.969 -0.491 -2.170 1.00 0.00 C ATOM 419 SD MET A 25 11.638 -0.380 -1.484 1.00 0.00 S ATOM 420 CE MET A 25 12.144 -2.100 -1.553 1.00 0.00 C ATOM 0 H MET A 25 7.530 -3.050 -0.424 1.00 0.00 H new ATOM 0 HA MET A 25 7.133 -0.645 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.023 -1.072 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.553 -2.414 -1.342 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.025 -0.834 -3.203 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.519 0.502 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.192 -2.159 -1.847 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.016 -2.557 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.532 -2.630 -2.283 1.00 0.00 H new ATOM 430 N GLN A 26 7.862 -3.229 -3.691 1.00 0.00 N ATOM 431 CA GLN A 26 7.864 -3.723 -5.055 1.00 0.00 C ATOM 432 C GLN A 26 6.448 -3.708 -5.660 1.00 0.00 C ATOM 433 O GLN A 26 6.295 -3.434 -6.833 1.00 0.00 O ATOM 434 CB GLN A 26 8.492 -5.119 -5.125 1.00 0.00 C ATOM 435 CG GLN A 26 8.520 -5.730 -6.518 1.00 0.00 C ATOM 436 CD GLN A 26 9.233 -7.062 -6.565 1.00 0.00 C ATOM 437 OE1 GLN A 26 9.258 -7.816 -5.585 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.818 -7.362 -7.689 1.00 0.00 N ATOM 0 H GLN A 26 8.031 -3.948 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 26 8.476 -3.051 -5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.512 -5.064 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.941 -5.785 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.497 -5.859 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.010 -5.038 -7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.775 -6.714 -8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.319 -8.245 -7.783 1.00 0.00 H new ATOM 447 N ILE A 27 5.428 -3.999 -4.848 1.00 0.00 N ATOM 448 CA ILE A 27 4.023 -3.945 -5.291 1.00 0.00 C ATOM 449 C ILE A 27 3.718 -2.530 -5.772 1.00 0.00 C ATOM 450 O ILE A 27 3.269 -2.323 -6.908 1.00 0.00 O ATOM 451 CB ILE A 27 3.014 -4.303 -4.130 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.231 -5.730 -3.570 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.559 -4.117 -4.566 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.063 -6.855 -4.568 1.00 0.00 C ATOM 0 H ILE A 27 5.545 -4.277 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 27 3.897 -4.679 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 27 3.224 -3.601 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.235 -5.788 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.532 -5.889 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.896 -4.373 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.395 -3.079 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.348 -4.766 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.237 -7.810 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.051 -6.835 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.780 -6.732 -5.379 1.00 0.00 H new ATOM 466 N LEU A 28 4.041 -1.571 -4.913 1.00 0.00 N ATOM 467 CA LEU A 28 3.822 -0.152 -5.166 1.00 0.00 C ATOM 468 C LEU A 28 4.596 0.299 -6.400 1.00 0.00 C ATOM 469 O LEU A 28 4.113 1.076 -7.207 1.00 0.00 O ATOM 470 CB LEU A 28 4.281 0.644 -3.942 1.00 0.00 C ATOM 471 CG LEU A 28 3.578 0.312 -2.618 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.249 1.029 -1.469 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.107 0.687 -2.674 1.00 0.00 C ATOM 0 H LEU A 28 4.469 -1.760 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 28 2.761 0.022 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.351 0.485 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.139 1.705 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 28 3.654 -0.764 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.738 0.783 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.291 0.717 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.202 2.105 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.633 0.442 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.011 1.756 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.620 0.133 -3.476 1.00 0.00 H new ATOM 485 N ASP A 29 5.781 -0.235 -6.544 1.00 0.00 N ATOM 486 CA ASP A 29 6.674 0.086 -7.651 1.00 0.00 C ATOM 487 C ASP A 29 6.156 -0.502 -8.955 1.00 0.00 C ATOM 488 O ASP A 29 6.091 0.180 -9.980 1.00 0.00 O ATOM 489 CB ASP A 29 8.035 -0.513 -7.361 1.00 0.00 C ATOM 490 CG ASP A 29 9.096 -0.075 -8.330 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.640 1.049 -8.177 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.423 -0.840 -9.238 1.00 0.00 O ATOM 0 H ASP A 29 6.168 -0.916 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 29 6.733 1.170 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.338 -0.236 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.958 -1.600 -7.384 1.00 0.00 H new ATOM 497 N GLU A 30 5.778 -1.763 -8.894 1.00 0.00 N ATOM 498 CA GLU A 30 5.324 -2.511 -10.063 1.00 0.00 C ATOM 499 C GLU A 30 4.038 -1.891 -10.628 1.00 0.00 C ATOM 500 O GLU A 30 3.906 -1.715 -11.841 1.00 0.00 O ATOM 501 CB GLU A 30 5.116 -4.000 -9.713 1.00 0.00 C ATOM 502 CG GLU A 30 5.263 -4.946 -10.903 1.00 0.00 C ATOM 503 CD GLU A 30 5.012 -6.398 -10.547 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.900 -7.051 -9.955 1.00 0.00 O ATOM 505 OE2 GLU A 30 3.930 -6.922 -10.861 1.00 0.00 O ATOM 0 H GLU A 30 5.775 -2.306 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 30 6.095 -2.454 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.834 -4.285 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.122 -4.126 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.567 -4.645 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.268 -4.848 -11.315 1.00 0.00 H new ATOM 512 N ILE A 31 3.106 -1.520 -9.741 1.00 0.00 N ATOM 513 CA ILE A 31 1.870 -0.876 -10.190 1.00 0.00 C ATOM 514 C ILE A 31 2.177 0.519 -10.733 1.00 0.00 C ATOM 515 O ILE A 31 1.610 0.932 -11.726 1.00 0.00 O ATOM 516 CB ILE A 31 0.767 -0.779 -9.078 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.236 0.061 -7.885 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.346 -2.159 -8.617 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.213 0.215 -6.790 1.00 0.00 C ATOM 0 H ILE A 31 3.182 -1.651 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 31 1.463 -1.513 -10.975 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.095 -0.278 -9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.133 -0.395 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.519 1.051 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.419 -2.067 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.055 -2.718 -9.462 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.209 -2.686 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.629 0.823 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.677 0.701 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.054 -0.767 -6.401 1.00 0.00 H new ATOM 531 N GLU A 32 3.119 1.208 -10.088 1.00 0.00 N ATOM 532 CA GLU A 32 3.536 2.544 -10.479 1.00 0.00 C ATOM 533 C GLU A 32 4.073 2.566 -11.905 1.00 0.00 C ATOM 534 O GLU A 32 3.614 3.363 -12.739 1.00 0.00 O ATOM 535 CB GLU A 32 4.605 3.065 -9.520 1.00 0.00 C ATOM 536 CG GLU A 32 5.222 4.371 -9.948 1.00 0.00 C ATOM 537 CD GLU A 32 6.319 4.826 -9.044 1.00 0.00 C ATOM 538 OE1 GLU A 32 7.495 4.457 -9.277 1.00 0.00 O ATOM 539 OE2 GLU A 32 6.061 5.600 -8.137 1.00 0.00 O ATOM 0 H GLU A 32 3.615 0.846 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 32 2.659 3.190 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.163 3.189 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.391 2.316 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.613 4.266 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.448 5.137 -9.983 1.00 0.00 H new ATOM 546 N LEU A 33 5.026 1.685 -12.184 1.00 0.00 N ATOM 547 CA LEU A 33 5.656 1.637 -13.487 1.00 0.00 C ATOM 548 C LEU A 33 4.686 1.216 -14.579 1.00 0.00 C ATOM 549 O LEU A 33 4.845 1.600 -15.738 1.00 0.00 O ATOM 550 CB LEU A 33 6.962 0.784 -13.462 1.00 0.00 C ATOM 551 CG LEU A 33 6.871 -0.707 -13.053 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.344 -1.593 -14.180 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.215 -1.208 -12.558 1.00 0.00 C ATOM 0 H LEU A 33 5.377 0.995 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 33 5.959 2.653 -13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.403 0.827 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.661 1.271 -12.782 1.00 0.00 H new ATOM 0 HG LEU A 33 6.149 -0.770 -12.239 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.300 -2.628 -13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.345 -1.263 -14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.010 -1.522 -15.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.131 -2.257 -12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.956 -1.104 -13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.525 -0.623 -11.692 1.00 0.00 H new ATOM 565 N ASP A 34 3.697 0.420 -14.216 1.00 0.00 N ATOM 566 CA ASP A 34 2.687 -0.010 -15.168 1.00 0.00 C ATOM 567 C ASP A 34 1.702 1.113 -15.441 1.00 0.00 C ATOM 568 O ASP A 34 1.378 1.410 -16.599 1.00 0.00 O ATOM 569 CB ASP A 34 1.940 -1.243 -14.674 1.00 0.00 C ATOM 570 CG ASP A 34 0.993 -1.778 -15.721 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.479 -2.402 -16.695 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.223 -1.573 -15.615 1.00 0.00 O ATOM 0 H ASP A 34 3.571 0.058 -13.271 1.00 0.00 H new ATOM 0 HA ASP A 34 3.200 -0.272 -16.093 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.657 -2.018 -14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.382 -0.993 -13.772 1.00 0.00 H new ATOM 577 N LEU A 35 1.246 1.731 -14.364 1.00 0.00 N ATOM 578 CA LEU A 35 0.292 2.829 -14.393 1.00 0.00 C ATOM 579 C LEU A 35 0.816 4.030 -15.150 1.00 0.00 C ATOM 580 O LEU A 35 0.213 4.451 -16.164 1.00 0.00 O ATOM 581 CB LEU A 35 -0.032 3.257 -12.942 1.00 0.00 C ATOM 582 CG LEU A 35 -0.719 4.624 -12.737 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.109 4.665 -13.335 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.734 5.001 -11.266 1.00 0.00 C ATOM 0 H LEU A 35 1.536 1.477 -13.420 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.600 2.474 -14.908 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.669 2.491 -12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.900 3.261 -12.377 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.130 5.368 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.550 5.647 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.050 4.475 -14.407 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.730 3.902 -12.865 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.222 5.968 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.280 4.244 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.289 5.062 -10.896 1.00 0.00 H new ATOM 664 N ILE A 41 -4.645 2.603 -12.670 1.00 0.00 N ATOM 665 CA ILE A 41 -3.947 2.071 -11.521 1.00 0.00 C ATOM 666 C ILE A 41 -4.601 0.789 -11.005 1.00 0.00 C ATOM 667 O ILE A 41 -3.908 -0.135 -10.604 1.00 0.00 O ATOM 668 CB ILE A 41 -3.814 3.112 -10.369 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.024 2.508 -9.191 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.184 3.618 -9.925 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.823 3.438 -8.027 1.00 0.00 C ATOM 0 HA ILE A 41 -2.941 1.830 -11.865 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.258 3.972 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.545 1.617 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.048 2.185 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.061 4.343 -9.120 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.687 4.093 -10.767 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.784 2.780 -9.570 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.258 2.928 -7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.273 4.319 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.793 3.742 -7.633 1.00 0.00 H new ATOM 683 N LYS A 42 -5.934 0.704 -11.074 1.00 0.00 N ATOM 684 CA LYS A 42 -6.623 -0.479 -10.574 1.00 0.00 C ATOM 685 C LYS A 42 -6.324 -1.668 -11.472 1.00 0.00 C ATOM 686 O LYS A 42 -6.295 -2.805 -11.025 1.00 0.00 O ATOM 687 CB LYS A 42 -8.140 -0.263 -10.431 1.00 0.00 C ATOM 688 CG LYS A 42 -8.891 -0.094 -11.734 1.00 0.00 C ATOM 689 CD LYS A 42 -10.386 0.062 -11.511 1.00 0.00 C ATOM 690 CE LYS A 42 -11.113 0.117 -12.841 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.561 0.319 -12.692 1.00 0.00 N ATOM 0 H LYS A 42 -6.541 1.425 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.246 -0.681 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.563 -1.112 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.309 0.620 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.510 0.780 -12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.708 -0.958 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.761 -0.772 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.583 0.971 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.698 0.925 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.934 -0.810 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.006 0.349 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.966 -0.465 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.737 1.217 -12.197 1.00 0.00 H new ATOM 705 N THR A 43 -6.064 -1.375 -12.724 1.00 0.00 N ATOM 706 CA THR A 43 -5.712 -2.372 -13.679 1.00 0.00 C ATOM 707 C THR A 43 -4.300 -2.880 -13.371 1.00 0.00 C ATOM 708 O THR A 43 -4.047 -4.098 -13.348 1.00 0.00 O ATOM 709 CB THR A 43 -5.794 -1.801 -15.098 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.085 -1.184 -15.259 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.655 -2.906 -16.127 1.00 0.00 C ATOM 0 H THR A 43 -6.094 -0.428 -13.101 1.00 0.00 H new ATOM 0 HA THR A 43 -6.411 -3.206 -13.617 1.00 0.00 H new ATOM 0 HB THR A 43 -4.989 -1.080 -15.244 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.158 -0.810 -16.162 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.716 -2.480 -17.129 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.692 -3.401 -16.001 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.457 -3.632 -15.992 1.00 0.00 H new ATOM 719 N SER A 44 -3.400 -1.937 -13.075 1.00 0.00 N ATOM 720 CA SER A 44 -2.046 -2.249 -12.682 1.00 0.00 C ATOM 721 C SER A 44 -2.051 -3.118 -11.405 1.00 0.00 C ATOM 722 O SER A 44 -1.297 -4.095 -11.299 1.00 0.00 O ATOM 723 CB SER A 44 -1.280 -0.948 -12.475 1.00 0.00 C ATOM 724 OG SER A 44 -1.368 -0.135 -13.639 1.00 0.00 O ATOM 0 H SER A 44 -3.602 -0.938 -13.105 1.00 0.00 H new ATOM 0 HA SER A 44 -1.550 -2.824 -13.464 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.685 -0.412 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.235 -1.164 -12.252 1.00 0.00 H new ATOM 0 HG SER A 44 -1.159 -0.674 -14.431 1.00 0.00 H new ATOM 730 N ILE A 45 -2.953 -2.769 -10.469 1.00 0.00 N ATOM 731 CA ILE A 45 -3.180 -3.523 -9.223 1.00 0.00 C ATOM 732 C ILE A 45 -3.415 -5.005 -9.539 1.00 0.00 C ATOM 733 O ILE A 45 -2.816 -5.895 -8.912 1.00 0.00 O ATOM 734 CB ILE A 45 -4.437 -2.957 -8.453 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.189 -1.545 -7.886 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.921 -3.895 -7.354 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.152 -1.478 -6.790 1.00 0.00 C ATOM 0 H ILE A 45 -3.551 -1.947 -10.558 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.295 -3.416 -8.596 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.229 -2.885 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.880 -0.890 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.130 -1.152 -7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.787 -3.457 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.200 -4.854 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.123 -4.046 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.045 -0.447 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.466 -2.102 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.196 -1.836 -7.171 1.00 0.00 H new ATOM 749 N ILE A 46 -4.253 -5.249 -10.537 1.00 0.00 N ATOM 750 CA ILE A 46 -4.636 -6.587 -10.934 1.00 0.00 C ATOM 751 C ILE A 46 -3.429 -7.458 -11.294 1.00 0.00 C ATOM 752 O ILE A 46 -3.272 -8.542 -10.733 1.00 0.00 O ATOM 753 CB ILE A 46 -5.660 -6.577 -12.109 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.934 -5.825 -11.697 1.00 0.00 C ATOM 755 CG2 ILE A 46 -6.001 -8.002 -12.534 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.977 -5.716 -12.793 1.00 0.00 C ATOM 0 H ILE A 46 -4.687 -4.514 -11.095 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.119 -7.029 -10.062 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.208 -6.063 -12.957 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.378 -6.329 -10.838 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.660 -4.822 -11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.717 -7.975 -13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.094 -8.511 -12.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.436 -8.539 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.843 -5.171 -12.418 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.555 -5.184 -13.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.283 -6.715 -13.104 1.00 0.00 H new ATOM 768 N TYR A 47 -2.555 -6.970 -12.178 1.00 0.00 N ATOM 769 CA TYR A 47 -1.408 -7.780 -12.654 1.00 0.00 C ATOM 770 C TYR A 47 -0.504 -8.168 -11.499 1.00 0.00 C ATOM 771 O TYR A 47 -0.096 -9.320 -11.363 1.00 0.00 O ATOM 772 CB TYR A 47 -0.546 -7.028 -13.661 1.00 0.00 C ATOM 773 CG TYR A 47 -1.288 -6.350 -14.758 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.963 -7.062 -15.736 1.00 0.00 C ATOM 775 CD2 TYR A 47 -1.299 -4.983 -14.815 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.633 -6.405 -16.744 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.957 -4.315 -15.802 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.629 -5.026 -16.774 1.00 0.00 C ATOM 779 OH TYR A 47 -3.301 -4.358 -17.776 1.00 0.00 O ATOM 0 H TYR A 47 -2.609 -6.034 -12.579 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.843 -8.660 -13.127 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.039 -6.281 -13.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.161 -7.730 -14.103 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.964 -8.142 -15.708 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.773 -4.420 -14.058 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.157 -6.965 -17.505 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.953 -3.235 -15.824 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.199 -3.391 -17.650 1.00 0.00 H new ATOM 789 N VAL A 48 -0.252 -7.215 -10.655 1.00 0.00 N ATOM 790 CA VAL A 48 0.674 -7.369 -9.573 1.00 0.00 C ATOM 791 C VAL A 48 0.132 -8.340 -8.520 1.00 0.00 C ATOM 792 O VAL A 48 0.838 -9.263 -8.088 1.00 0.00 O ATOM 793 CB VAL A 48 1.010 -5.994 -8.956 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.048 -6.116 -7.864 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.499 -5.052 -10.044 1.00 0.00 C ATOM 0 H VAL A 48 -0.690 -6.295 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 48 1.597 -7.798 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 48 0.103 -5.591 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.260 -5.129 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.671 -6.765 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.963 -6.541 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.736 -4.082 -9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.392 -5.467 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.720 -4.930 -10.797 1.00 0.00 H new ATOM 805 N TYR A 49 -1.125 -8.174 -8.153 1.00 0.00 N ATOM 806 CA TYR A 49 -1.752 -9.046 -7.173 1.00 0.00 C ATOM 807 C TYR A 49 -1.926 -10.456 -7.720 1.00 0.00 C ATOM 808 O TYR A 49 -1.718 -11.420 -7.009 1.00 0.00 O ATOM 809 CB TYR A 49 -3.109 -8.496 -6.698 1.00 0.00 C ATOM 810 CG TYR A 49 -3.063 -7.247 -5.818 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.914 -6.468 -5.694 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.193 -6.845 -5.122 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.899 -5.336 -4.906 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.183 -5.715 -4.329 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.034 -4.965 -4.225 1.00 0.00 C ATOM 816 OH TYR A 49 -3.027 -3.830 -3.451 1.00 0.00 O ATOM 0 H TYR A 49 -1.734 -7.442 -8.519 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.083 -9.083 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.714 -8.273 -7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.624 -9.284 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.019 -6.756 -6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.099 -7.428 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.000 -4.744 -4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.073 -5.421 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.688 -3.920 -2.733 1.00 0.00 H new ATOM 826 N SER A 50 -2.260 -10.559 -9.001 1.00 0.00 N ATOM 827 CA SER A 50 -2.487 -11.851 -9.641 1.00 0.00 C ATOM 828 C SER A 50 -1.183 -12.644 -9.817 1.00 0.00 C ATOM 829 O SER A 50 -1.199 -13.867 -10.014 1.00 0.00 O ATOM 830 CB SER A 50 -3.222 -11.670 -10.981 1.00 0.00 C ATOM 831 OG SER A 50 -2.501 -10.836 -11.870 1.00 0.00 O ATOM 0 H SER A 50 -2.380 -9.758 -9.621 1.00 0.00 H new ATOM 0 HA SER A 50 -3.124 -12.439 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.379 -12.644 -11.444 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.208 -11.241 -10.800 1.00 0.00 H new ATOM 0 HG SER A 50 -2.620 -9.899 -11.609 1.00 0.00 H new ATOM 837 N SER A 51 -0.076 -11.943 -9.802 1.00 0.00 N ATOM 838 CA SER A 51 1.217 -12.553 -9.939 1.00 0.00 C ATOM 839 C SER A 51 1.821 -12.876 -8.564 1.00 0.00 C ATOM 840 O SER A 51 2.258 -13.999 -8.312 1.00 0.00 O ATOM 841 CB SER A 51 2.137 -11.616 -10.725 1.00 0.00 C ATOM 842 OG SER A 51 3.426 -12.171 -10.939 1.00 0.00 O ATOM 0 H SER A 51 -0.050 -10.929 -9.694 1.00 0.00 H new ATOM 0 HA SER A 51 1.110 -13.493 -10.481 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.680 -11.387 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.236 -10.674 -10.186 1.00 0.00 H new ATOM 0 HG SER A 51 3.975 -11.537 -11.446 1.00 0.00 H new ATOM 848 N HIS A 52 1.790 -11.912 -7.662 1.00 0.00 N ATOM 849 CA HIS A 52 2.438 -12.053 -6.351 1.00 0.00 C ATOM 850 C HIS A 52 1.409 -12.505 -5.310 1.00 0.00 C ATOM 851 O HIS A 52 1.450 -12.083 -4.147 1.00 0.00 O ATOM 852 CB HIS A 52 3.093 -10.712 -5.927 1.00 0.00 C ATOM 853 CG HIS A 52 4.124 -10.166 -6.903 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.463 -10.486 -6.863 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.988 -9.305 -7.943 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.098 -9.845 -7.828 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.223 -9.125 -8.493 1.00 0.00 N ATOM 0 H HIS A 52 1.324 -11.016 -7.805 1.00 0.00 H new ATOM 0 HA HIS A 52 3.221 -12.808 -6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.308 -9.967 -5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.569 -10.848 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.069 -8.846 -8.275 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.156 -9.903 -8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.434 -8.527 -9.292 1.00 0.00 H new ATOM 866 N LEU A 53 0.555 -13.434 -5.743 1.00 0.00 N ATOM 867 CA LEU A 53 -0.590 -13.973 -4.982 1.00 0.00 C ATOM 868 C LEU A 53 -0.261 -14.378 -3.561 1.00 0.00 C ATOM 869 O LEU A 53 -1.038 -14.097 -2.655 1.00 0.00 O ATOM 870 CB LEU A 53 -1.169 -15.201 -5.689 1.00 0.00 C ATOM 871 CG LEU A 53 -1.862 -14.985 -7.029 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.103 -16.323 -7.710 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.193 -14.271 -6.825 1.00 0.00 C ATOM 0 H LEU A 53 0.639 -13.853 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.306 -13.152 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.358 -15.914 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.884 -15.671 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.220 -14.369 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.599 -16.160 -8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.149 -16.824 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.734 -16.946 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.678 -14.123 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.836 -14.875 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.018 -13.304 -6.354 1.00 0.00 H new ATOM 885 N ASP A 54 0.887 -15.009 -3.371 1.00 0.00 N ATOM 886 CA ASP A 54 1.260 -15.602 -2.072 1.00 0.00 C ATOM 887 C ASP A 54 1.168 -14.605 -0.933 1.00 0.00 C ATOM 888 O ASP A 54 0.403 -14.816 0.009 1.00 0.00 O ATOM 889 CB ASP A 54 2.697 -16.152 -2.155 1.00 0.00 C ATOM 890 CG ASP A 54 3.240 -16.690 -0.837 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.934 -17.845 -0.474 1.00 0.00 O ATOM 892 OD2 ASP A 54 4.051 -15.998 -0.180 1.00 0.00 O ATOM 0 H ASP A 54 1.590 -15.130 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 54 0.553 -16.404 -1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.726 -16.948 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.357 -15.360 -2.510 1.00 0.00 H new ATOM 897 N GLU A 55 1.811 -13.469 -1.082 1.00 0.00 N ATOM 898 CA GLU A 55 1.834 -12.491 -0.012 1.00 0.00 C ATOM 899 C GLU A 55 0.480 -11.803 0.103 1.00 0.00 C ATOM 900 O GLU A 55 0.017 -11.472 1.215 1.00 0.00 O ATOM 901 CB GLU A 55 2.930 -11.466 -0.230 1.00 0.00 C ATOM 902 CG GLU A 55 3.249 -10.638 1.006 1.00 0.00 C ATOM 903 CD GLU A 55 3.944 -11.434 2.111 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.436 -12.497 2.538 1.00 0.00 O ATOM 905 OE2 GLU A 55 5.033 -11.006 2.567 1.00 0.00 O ATOM 0 H GLU A 55 2.321 -13.199 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 55 2.045 -13.015 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.835 -11.979 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.634 -10.797 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.884 -9.800 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.324 -10.216 1.400 1.00 0.00 H new ATOM 912 N ILE A 56 -0.169 -11.624 -1.051 1.00 0.00 N ATOM 913 CA ILE A 56 -1.469 -10.971 -1.129 1.00 0.00 C ATOM 914 C ILE A 56 -2.484 -11.743 -0.285 1.00 0.00 C ATOM 915 O ILE A 56 -3.239 -11.160 0.479 1.00 0.00 O ATOM 916 CB ILE A 56 -2.010 -10.867 -2.609 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.012 -10.162 -3.569 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.371 -10.170 -2.659 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.549 -8.794 -3.129 1.00 0.00 C ATOM 0 H ILE A 56 0.195 -11.929 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.339 -9.957 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.126 -11.893 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.138 -10.801 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.479 -10.071 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.714 -10.115 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.091 -10.735 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.279 -9.162 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.144 -8.389 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.409 -8.131 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.047 -8.873 -2.165 1.00 0.00 H new ATOM 931 N ARG A 57 -2.447 -13.058 -0.395 1.00 0.00 N ATOM 932 CA ARG A 57 -3.403 -13.905 0.283 1.00 0.00 C ATOM 933 C ARG A 57 -3.206 -13.956 1.806 1.00 0.00 C ATOM 934 O ARG A 57 -4.184 -14.167 2.530 1.00 0.00 O ATOM 935 CB ARG A 57 -3.476 -15.298 -0.356 1.00 0.00 C ATOM 936 CG ARG A 57 -3.821 -15.235 -1.843 1.00 0.00 C ATOM 937 CD ARG A 57 -3.952 -16.602 -2.489 1.00 0.00 C ATOM 938 NE ARG A 57 -5.212 -17.284 -2.143 1.00 0.00 N ATOM 939 CZ ARG A 57 -5.711 -18.332 -2.820 1.00 0.00 C ATOM 940 NH1 ARG A 57 -5.012 -18.884 -3.804 1.00 0.00 N ATOM 941 NH2 ARG A 57 -6.898 -18.828 -2.497 1.00 0.00 N ATOM 0 H ARG A 57 -1.758 -13.563 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.378 -13.438 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.519 -15.805 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.225 -15.895 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.757 -14.691 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.050 -14.667 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.889 -16.494 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.112 -17.225 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.738 -16.939 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.094 -18.513 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.393 -19.679 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.433 -18.414 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.276 -19.624 -3.012 1.00 0.00 H new ATOM 955 N LYS A 58 -1.957 -13.758 2.301 1.00 0.00 N ATOM 956 CA LYS A 58 -1.730 -13.678 3.781 1.00 0.00 C ATOM 957 C LYS A 58 -2.513 -12.513 4.378 1.00 0.00 C ATOM 958 O LYS A 58 -3.316 -12.677 5.306 1.00 0.00 O ATOM 959 CB LYS A 58 -0.248 -13.439 4.188 1.00 0.00 C ATOM 960 CG LYS A 58 0.719 -14.619 4.197 1.00 0.00 C ATOM 961 CD LYS A 58 0.995 -15.148 2.830 1.00 0.00 C ATOM 962 CE LYS A 58 2.291 -15.929 2.782 1.00 0.00 C ATOM 963 NZ LYS A 58 3.452 -15.082 3.172 1.00 0.00 N ATOM 0 H LYS A 58 -1.118 -13.654 1.730 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.054 -14.649 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.160 -12.685 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.248 -13.007 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.657 -14.311 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.306 -15.417 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.172 -15.789 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.043 -14.320 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.225 -16.788 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.445 -16.319 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.277 -15.336 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.217 -14.080 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.674 -15.238 4.176 1.00 0.00 H new ATOM 977 N ASN A 59 -2.265 -11.343 3.840 1.00 0.00 N ATOM 978 CA ASN A 59 -2.828 -10.106 4.358 1.00 0.00 C ATOM 979 C ASN A 59 -3.734 -9.496 3.326 1.00 0.00 C ATOM 980 O ASN A 59 -3.504 -8.372 2.857 1.00 0.00 O ATOM 981 CB ASN A 59 -1.708 -9.109 4.757 1.00 0.00 C ATOM 982 CG ASN A 59 -0.925 -9.507 6.008 1.00 0.00 C ATOM 983 OD1 ASN A 59 0.061 -10.353 5.844 1.00 0.00 O flip ATOM 984 ND2 ASN A 59 -1.209 -9.048 7.112 1.00 0.00 N flip ATOM 0 H ASN A 59 -1.664 -11.215 3.026 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.405 -10.332 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.012 -9.010 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.153 -8.127 4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.983 -8.391 7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.671 -9.324 7.933 1.00 0.00 H new ATOM 991 N LYS A 60 -4.769 -10.243 2.971 1.00 0.00 N ATOM 992 CA LYS A 60 -5.732 -9.828 1.951 1.00 0.00 C ATOM 993 C LYS A 60 -6.373 -8.488 2.298 1.00 0.00 C ATOM 994 O LYS A 60 -6.578 -7.660 1.435 1.00 0.00 O ATOM 995 CB LYS A 60 -6.805 -10.915 1.721 1.00 0.00 C ATOM 996 CG LYS A 60 -7.715 -11.194 2.915 1.00 0.00 C ATOM 997 CD LYS A 60 -8.684 -12.322 2.622 1.00 0.00 C ATOM 998 CE LYS A 60 -9.679 -12.529 3.755 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.655 -11.420 3.860 1.00 0.00 N ATOM 0 H LYS A 60 -4.969 -11.156 3.380 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.183 -9.697 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.424 -10.618 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.305 -11.842 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.109 -11.450 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.271 -10.292 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.224 -12.105 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.127 -13.244 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.214 -13.466 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.138 -12.624 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.361 -11.647 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.158 -10.544 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.132 -11.289 2.945 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.621 -8.267 3.584 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.237 -7.051 4.051 1.00 0.00 C ATOM 1015 C GLU A 61 -6.329 -5.856 3.796 1.00 0.00 C ATOM 1016 O GLU A 61 -6.786 -4.801 3.378 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.544 -7.168 5.537 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.446 -8.340 5.894 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.760 -8.299 5.157 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.713 -7.669 5.641 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -9.861 -8.900 4.075 1.00 0.00 O ATOM 0 H GLU A 61 -6.397 -8.932 4.325 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.167 -6.897 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.606 -7.265 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.015 -6.245 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.932 -9.273 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.634 -8.336 6.968 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.035 -6.059 4.002 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.047 -5.015 3.801 1.00 0.00 C ATOM 1030 C PHE A 62 -4.003 -4.625 2.338 1.00 0.00 C ATOM 1031 O PHE A 62 -4.152 -3.457 1.995 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.658 -5.490 4.276 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.534 -4.520 4.007 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.353 -3.408 4.806 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.660 -4.728 2.947 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.331 -2.518 4.555 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.367 -3.842 2.692 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.532 -2.735 3.496 1.00 0.00 C ATOM 0 H PHE A 62 -4.645 -6.949 4.312 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.329 -4.142 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.703 -5.685 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.427 -6.437 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.020 -3.234 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.786 -5.594 2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.204 -1.651 5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.039 -4.016 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.334 -2.038 3.300 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.863 -5.617 1.484 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.748 -5.385 0.068 1.00 0.00 C ATOM 1050 C TYR A 63 -5.017 -4.875 -0.559 1.00 0.00 C ATOM 1051 O TYR A 63 -4.963 -4.059 -1.474 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.199 -6.597 -0.665 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.744 -6.841 -0.362 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.767 -6.002 -0.884 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.343 -7.890 0.445 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.570 -6.205 -0.613 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.010 -8.101 0.721 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.944 -7.254 0.188 1.00 0.00 C ATOM 1059 OH TYR A 63 2.273 -7.460 0.458 1.00 0.00 O ATOM 0 H TYR A 63 -3.826 -6.600 1.754 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.020 -4.581 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.778 -7.478 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.325 -6.457 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.060 -5.175 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.085 -8.553 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.316 -5.544 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.289 -8.925 1.352 1.00 0.00 H new ATOM 0 HH TYR A 63 2.809 -6.776 0.005 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.147 -5.318 -0.061 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.421 -4.872 -0.596 1.00 0.00 C ATOM 1071 C ASP A 64 -7.660 -3.415 -0.231 1.00 0.00 C ATOM 1072 O ASP A 64 -8.028 -2.600 -1.084 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.569 -5.737 -0.085 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.860 -5.433 -0.789 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.120 -6.030 -1.853 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.640 -4.602 -0.315 1.00 0.00 O ATOM 0 H ASP A 64 -6.216 -5.983 0.709 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.384 -4.968 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.320 -6.789 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.694 -5.578 0.986 1.00 0.00 H new ATOM 1081 N MET A 65 -7.405 -3.077 1.030 1.00 0.00 N ATOM 1082 CA MET A 65 -7.583 -1.720 1.491 1.00 0.00 C ATOM 1083 C MET A 65 -6.587 -0.766 0.864 1.00 0.00 C ATOM 1084 O MET A 65 -6.969 0.319 0.455 1.00 0.00 O ATOM 1085 CB MET A 65 -7.596 -1.608 3.021 1.00 0.00 C ATOM 1086 CG MET A 65 -8.813 -2.259 3.653 1.00 0.00 C ATOM 1087 SD MET A 65 -8.950 -1.995 5.443 1.00 0.00 S ATOM 1088 CE MET A 65 -7.538 -2.906 6.048 1.00 0.00 C ATOM 0 H MET A 65 -7.076 -3.728 1.743 1.00 0.00 H new ATOM 0 HA MET A 65 -8.573 -1.416 1.152 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.694 -2.071 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.566 -0.556 3.303 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.710 -1.872 3.170 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.782 -3.331 3.456 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.879 -3.768 6.621 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.936 -3.246 5.205 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.935 -2.261 6.687 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.316 -1.161 0.736 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.361 -0.256 0.103 1.00 0.00 C ATOM 1100 C ILE A 66 -4.711 -0.024 -1.355 1.00 0.00 C ATOM 1101 O ILE A 66 -4.590 1.082 -1.830 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.852 -0.651 0.219 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.554 -2.000 -0.414 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.400 -0.636 1.664 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.076 -2.281 -0.570 1.00 0.00 C ATOM 0 H ILE A 66 -4.940 -2.057 1.046 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.463 0.662 0.681 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.288 0.098 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.003 -2.785 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.030 -2.046 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.347 -0.914 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.533 0.364 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.994 -1.347 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.938 -3.260 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.625 -1.517 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.598 -2.268 0.409 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.216 -1.063 -2.028 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.570 -0.989 -3.446 1.00 0.00 C ATOM 1119 C ALA A 67 -6.550 0.138 -3.723 1.00 0.00 C ATOM 1120 O ALA A 67 -6.370 0.897 -4.673 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.142 -2.311 -3.930 1.00 0.00 C ATOM 0 H ALA A 67 -5.390 -1.975 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.653 -0.779 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.398 -2.232 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.402 -3.099 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.038 -2.552 -3.357 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.564 0.266 -2.886 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.554 1.312 -3.068 1.00 0.00 C ATOM 1129 C GLU A 68 -7.992 2.691 -2.676 1.00 0.00 C ATOM 1130 O GLU A 68 -8.247 3.693 -3.355 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.868 0.985 -2.330 1.00 0.00 C ATOM 1132 CG GLU A 68 -9.731 0.752 -0.833 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.051 0.478 -0.166 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.806 1.434 0.083 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.374 -0.689 0.104 1.00 0.00 O ATOM 0 H GLU A 68 -7.723 -0.337 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.795 1.358 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.570 1.804 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.307 0.095 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.060 -0.089 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.271 1.627 -0.374 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.184 2.726 -1.615 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.568 3.971 -1.137 1.00 0.00 C ATOM 1144 C ILE A 69 -5.588 4.516 -2.173 1.00 0.00 C ATOM 1145 O ILE A 69 -5.560 5.726 -2.438 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.825 3.755 0.203 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.799 3.284 1.273 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.119 5.037 0.660 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.123 2.893 2.552 1.00 0.00 C ATOM 0 H ILE A 69 -6.938 1.903 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.371 4.691 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.066 2.988 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.517 4.078 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.364 2.433 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.606 4.853 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.393 5.341 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.855 5.829 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.871 2.567 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.424 2.079 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.581 3.749 2.953 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.801 3.616 -2.760 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.832 3.966 -3.794 1.00 0.00 C ATOM 1163 C LEU A 70 -4.506 4.710 -4.932 1.00 0.00 C ATOM 1164 O LEU A 70 -4.033 5.750 -5.353 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.117 2.709 -4.318 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.192 1.989 -3.324 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.760 0.645 -3.871 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.973 2.835 -3.019 1.00 0.00 C ATOM 0 H LEU A 70 -4.818 2.622 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.085 4.624 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.873 2.001 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.529 2.989 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.750 1.830 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.106 0.153 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.639 0.024 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.224 0.789 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.331 2.307 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.422 3.024 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.288 3.783 -2.584 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.642 4.194 -5.376 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.408 4.816 -6.458 1.00 0.00 C ATOM 1182 C GLN A 71 -6.868 6.207 -6.033 1.00 0.00 C ATOM 1183 O GLN A 71 -6.605 7.211 -6.706 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.655 3.983 -6.758 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.389 2.525 -7.042 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.662 1.733 -7.200 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.685 2.248 -7.663 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.628 0.502 -6.771 1.00 0.00 N ATOM 0 H GLN A 71 -6.060 3.341 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.770 4.878 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.336 4.055 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.168 4.418 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.793 2.437 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.798 2.101 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.761 0.116 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.468 -0.075 -6.810 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.498 6.233 -4.883 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.121 7.383 -4.307 1.00 0.00 C ATOM 1199 C ARG A 72 -7.133 8.534 -4.087 1.00 0.00 C ATOM 1200 O ARG A 72 -7.359 9.656 -4.549 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.698 6.916 -2.999 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.570 7.873 -2.256 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.077 7.175 -1.024 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.796 5.939 -1.365 1.00 0.00 N ATOM 1205 CZ ARG A 72 -10.881 4.843 -0.595 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.359 4.821 0.636 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -11.509 3.780 -1.057 1.00 0.00 N ATOM 0 H ARG A 72 -7.590 5.402 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.884 7.782 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.275 6.011 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.871 6.636 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.010 8.768 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.402 8.196 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.240 6.941 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.739 7.842 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.272 5.912 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.886 5.646 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.433 3.979 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.923 3.797 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.581 2.940 -0.482 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.041 8.258 -3.417 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.096 9.295 -3.084 1.00 0.00 C ATOM 1223 C TYR A 73 -4.111 9.612 -4.177 1.00 0.00 C ATOM 1224 O TYR A 73 -3.573 10.712 -4.201 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.410 9.069 -1.741 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.275 9.438 -0.562 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.258 8.586 -0.091 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.113 10.666 0.069 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.055 8.944 0.974 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.902 11.030 1.138 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.872 10.169 1.588 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.677 10.537 2.649 1.00 0.00 O ATOM 0 H TYR A 73 -5.785 7.326 -3.092 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.708 10.191 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.123 8.021 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.491 9.655 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.403 7.626 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.354 11.348 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.821 8.270 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.758 11.986 1.619 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.415 11.427 2.965 1.00 0.00 H new ATOM 1242 N TYR A 74 -3.870 8.697 -5.099 1.00 0.00 N ATOM 1243 CA TYR A 74 -2.972 9.022 -6.198 1.00 0.00 C ATOM 1244 C TYR A 74 -3.608 10.098 -7.084 1.00 0.00 C ATOM 1245 O TYR A 74 -2.916 10.946 -7.641 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.515 7.765 -6.993 1.00 0.00 C ATOM 1247 CG TYR A 74 -2.864 7.756 -8.462 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.070 8.416 -9.403 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -3.995 7.113 -8.903 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.422 8.435 -10.735 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.340 7.117 -10.224 1.00 0.00 C ATOM 1252 CZ TYR A 74 -3.559 7.781 -11.137 1.00 0.00 C ATOM 1253 OH TYR A 74 -3.941 7.812 -12.455 1.00 0.00 O ATOM 0 H TYR A 74 -4.265 7.757 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.052 9.432 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.434 7.669 -6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.957 6.884 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.169 8.918 -9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.622 6.595 -8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.810 8.959 -11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.228 6.597 -10.551 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.147 7.890 -13.024 1.00 0.00 H new ATOM 1263 N LYS A 75 -4.929 10.087 -7.152 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.667 11.085 -7.906 1.00 0.00 C ATOM 1265 C LYS A 75 -5.668 12.437 -7.174 1.00 0.00 C ATOM 1266 O LYS A 75 -5.918 13.478 -7.782 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.115 10.637 -8.144 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.302 9.424 -9.053 1.00 0.00 C ATOM 1269 CD LYS A 75 -6.818 9.696 -10.471 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.211 8.564 -11.417 1.00 0.00 C ATOM 1271 NZ LYS A 75 -6.683 8.759 -12.793 1.00 0.00 N ATOM 0 H LYS A 75 -5.515 9.392 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.167 11.199 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.569 10.415 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.667 11.474 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.758 8.574 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.356 9.147 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.241 10.635 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.734 9.814 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.840 7.619 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.298 8.489 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.243 8.194 -13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.747 9.765 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.689 8.455 -12.830 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.401 12.414 -5.880 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.432 13.626 -5.081 1.00 0.00 C ATOM 1287 C LYS A 76 -4.034 14.202 -4.843 1.00 0.00 C ATOM 1288 O LYS A 76 -3.794 15.385 -5.097 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.138 13.368 -3.735 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.248 14.605 -2.844 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.003 14.329 -1.543 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.468 13.994 -1.794 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.232 13.824 -0.532 1.00 0.00 N ATOM 0 H LYS A 76 -5.160 11.570 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.996 14.367 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.139 12.983 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.596 12.591 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.248 14.969 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.755 15.399 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.527 13.502 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.937 15.202 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.923 14.787 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.533 13.078 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.222 13.597 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.816 13.050 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.193 14.705 0.019 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.121 13.370 -4.376 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.789 13.841 -4.008 1.00 0.00 C ATOM 1309 C ILE A 77 -0.711 13.264 -4.922 1.00 0.00 C ATOM 1310 O ILE A 77 0.322 13.885 -5.153 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.460 13.534 -2.506 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.425 12.014 -2.236 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.478 14.214 -1.599 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.258 11.626 -0.777 1.00 0.00 C ATOM 0 H ILE A 77 -3.271 12.370 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.793 14.923 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.468 13.931 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.348 11.572 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.607 11.577 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.241 13.995 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.446 15.292 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.476 13.843 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.245 10.540 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.320 12.032 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.089 12.027 -0.196 1.00 0.00 H new ATOM 1326 N GLY A 78 -0.951 12.085 -5.433 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.017 11.469 -6.340 1.00 0.00 C ATOM 1328 C GLY A 78 0.417 10.140 -5.821 1.00 0.00 C ATOM 1329 O GLY A 78 0.528 9.967 -4.602 1.00 0.00 O ATOM 0 H GLY A 78 -1.785 11.532 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.478 11.350 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.851 12.115 -6.472 1.00 0.00 H new ATOM 1333 N ILE A 79 0.681 9.203 -6.718 1.00 0.00 N ATOM 1334 CA ILE A 79 1.026 7.843 -6.324 1.00 0.00 C ATOM 1335 C ILE A 79 2.335 7.816 -5.523 1.00 0.00 C ATOM 1336 O ILE A 79 2.448 7.081 -4.545 1.00 0.00 O ATOM 1337 CB ILE A 79 1.066 6.843 -7.550 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.270 5.396 -7.092 1.00 0.00 C ATOM 1339 CG2 ILE A 79 2.127 7.222 -8.573 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.151 4.855 -6.224 1.00 0.00 C ATOM 0 H ILE A 79 0.663 9.358 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 79 0.227 7.490 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 79 0.093 6.920 -8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.373 4.760 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.207 5.330 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.114 6.505 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.920 8.220 -8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.109 7.213 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.374 3.826 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.061 5.465 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.787 4.885 -6.779 1.00 0.00 H new ATOM 1352 N GLU A 80 3.273 8.690 -5.899 1.00 0.00 N ATOM 1353 CA GLU A 80 4.570 8.798 -5.236 1.00 0.00 C ATOM 1354 C GLU A 80 4.394 9.039 -3.746 1.00 0.00 C ATOM 1355 O GLU A 80 5.033 8.384 -2.908 1.00 0.00 O ATOM 1356 CB GLU A 80 5.400 9.964 -5.791 1.00 0.00 C ATOM 1357 CG GLU A 80 5.553 10.022 -7.301 1.00 0.00 C ATOM 1358 CD GLU A 80 4.423 10.763 -7.974 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.368 10.163 -8.228 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.586 11.965 -8.264 1.00 0.00 O ATOM 0 H GLU A 80 3.151 9.343 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 80 5.087 7.856 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.946 10.897 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.395 9.917 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.498 10.507 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.603 9.007 -7.696 1.00 0.00 H new ATOM 1367 N ASN A 81 3.514 9.974 -3.440 1.00 0.00 N ATOM 1368 CA ASN A 81 3.240 10.385 -2.068 1.00 0.00 C ATOM 1369 C ASN A 81 2.651 9.209 -1.300 1.00 0.00 C ATOM 1370 O ASN A 81 3.149 8.829 -0.242 1.00 0.00 O ATOM 1371 CB ASN A 81 2.227 11.553 -2.045 1.00 0.00 C ATOM 1372 CG ASN A 81 2.371 12.462 -0.813 1.00 0.00 C ATOM 1373 OD1 ASN A 81 1.752 12.250 0.221 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.171 13.498 -0.933 1.00 0.00 N ATOM 0 H ASN A 81 2.964 10.475 -4.138 1.00 0.00 H new ATOM 0 HA ASN A 81 4.173 10.711 -1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.354 12.152 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.216 11.148 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.286 14.146 -0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.676 13.654 -1.805 1.00 0.00 H new ATOM 1381 N VAL A 82 1.638 8.586 -1.902 1.00 0.00 N ATOM 1382 CA VAL A 82 0.892 7.493 -1.277 1.00 0.00 C ATOM 1383 C VAL A 82 1.785 6.287 -0.998 1.00 0.00 C ATOM 1384 O VAL A 82 1.745 5.734 0.095 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.312 7.032 -2.143 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.186 6.050 -1.377 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.133 8.207 -2.603 1.00 0.00 C ATOM 0 H VAL A 82 1.311 8.825 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 82 0.517 7.893 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 82 0.089 6.529 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.022 5.742 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.596 5.175 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.566 6.529 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.968 7.853 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.515 8.746 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.511 8.874 -3.200 1.00 0.00 H new ATOM 1397 N ASN A 83 2.600 5.903 -1.983 1.00 0.00 N ATOM 1398 CA ASN A 83 3.508 4.738 -1.857 1.00 0.00 C ATOM 1399 C ASN A 83 4.381 4.854 -0.629 1.00 0.00 C ATOM 1400 O ASN A 83 4.543 3.900 0.133 1.00 0.00 O ATOM 1401 CB ASN A 83 4.422 4.572 -3.089 1.00 0.00 C ATOM 1402 CG ASN A 83 3.699 4.181 -4.358 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.659 3.545 -4.325 1.00 0.00 O ATOM 1404 ND2 ASN A 83 4.261 4.535 -5.489 1.00 0.00 N ATOM 0 H ASN A 83 2.657 6.378 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 83 2.862 3.864 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.952 5.509 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.175 3.816 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.828 4.278 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.131 5.067 -5.481 1.00 0.00 H new ATOM 1411 N GLN A 84 4.902 6.042 -0.419 1.00 0.00 N ATOM 1412 CA GLN A 84 5.790 6.315 0.689 1.00 0.00 C ATOM 1413 C GLN A 84 4.981 6.202 1.998 1.00 0.00 C ATOM 1414 O GLN A 84 5.403 5.547 2.948 1.00 0.00 O ATOM 1415 CB GLN A 84 6.383 7.730 0.501 1.00 0.00 C ATOM 1416 CG GLN A 84 7.705 8.038 1.229 1.00 0.00 C ATOM 1417 CD GLN A 84 7.632 7.956 2.737 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.306 8.937 3.402 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.995 6.828 3.283 1.00 0.00 N ATOM 0 H GLN A 84 4.721 6.850 -1.015 1.00 0.00 H new ATOM 0 HA GLN A 84 6.613 5.602 0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.538 7.893 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.639 8.455 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.467 7.343 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.033 9.039 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.258 6.038 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.016 6.736 4.299 1.00 0.00 H new ATOM 1428 N LEU A 85 3.795 6.778 1.995 1.00 0.00 N ATOM 1429 CA LEU A 85 2.910 6.776 3.158 1.00 0.00 C ATOM 1430 C LEU A 85 2.492 5.351 3.549 1.00 0.00 C ATOM 1431 O LEU A 85 2.414 5.025 4.741 1.00 0.00 O ATOM 1432 CB LEU A 85 1.688 7.652 2.885 1.00 0.00 C ATOM 1433 CG LEU A 85 1.995 9.125 2.595 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.748 9.864 2.164 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.614 9.796 3.813 1.00 0.00 C ATOM 0 H LEU A 85 3.410 7.265 1.185 1.00 0.00 H new ATOM 0 HA LEU A 85 3.458 7.191 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.145 7.236 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.022 7.599 3.747 1.00 0.00 H new ATOM 0 HG LEU A 85 2.714 9.162 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.994 10.907 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.348 9.406 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.002 9.812 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.824 10.841 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.920 9.740 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.542 9.288 4.076 1.00 0.00 H new ATOM 1447 N ILE A 86 2.256 4.503 2.551 1.00 0.00 N ATOM 1448 CA ILE A 86 1.918 3.095 2.785 1.00 0.00 C ATOM 1449 C ILE A 86 3.081 2.402 3.506 1.00 0.00 C ATOM 1450 O ILE A 86 2.877 1.652 4.473 1.00 0.00 O ATOM 1451 CB ILE A 86 1.592 2.336 1.454 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.392 2.975 0.724 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.339 0.845 1.698 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -0.902 2.999 1.522 1.00 0.00 C ATOM 0 H ILE A 86 2.292 4.765 1.566 1.00 0.00 H new ATOM 0 HA ILE A 86 1.021 3.068 3.404 1.00 0.00 H new ATOM 0 HB ILE A 86 2.470 2.425 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.653 3.998 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.219 2.432 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.116 0.354 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.226 0.393 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.494 0.726 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.687 3.466 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.194 1.979 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.753 3.569 2.439 1.00 0.00 H new ATOM 1466 N LEU A 87 4.293 2.710 3.070 1.00 0.00 N ATOM 1467 CA LEU A 87 5.495 2.163 3.678 1.00 0.00 C ATOM 1468 C LEU A 87 5.606 2.621 5.128 1.00 0.00 C ATOM 1469 O LEU A 87 5.922 1.834 6.014 1.00 0.00 O ATOM 1470 CB LEU A 87 6.739 2.553 2.866 1.00 0.00 C ATOM 1471 CG LEU A 87 6.786 2.012 1.428 1.00 0.00 C ATOM 1472 CD1 LEU A 87 8.027 2.491 0.699 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.726 0.497 1.425 1.00 0.00 C ATOM 0 H LEU A 87 4.470 3.342 2.289 1.00 0.00 H new ATOM 0 HA LEU A 87 5.430 1.075 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.801 3.641 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.623 2.201 3.397 1.00 0.00 H new ATOM 0 HG LEU A 87 5.914 2.398 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.030 2.091 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.028 3.580 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.916 2.146 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.760 0.134 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.575 0.098 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.799 0.169 1.895 1.00 0.00 H new ATOM 1485 N THR A 88 5.293 3.882 5.363 1.00 0.00 N ATOM 1486 CA THR A 88 5.270 4.448 6.697 1.00 0.00 C ATOM 1487 C THR A 88 4.228 3.720 7.593 1.00 0.00 C ATOM 1488 O THR A 88 4.466 3.497 8.781 1.00 0.00 O ATOM 1489 CB THR A 88 4.962 5.972 6.625 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.946 6.614 5.803 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.982 6.619 8.003 1.00 0.00 C ATOM 0 H THR A 88 5.046 4.545 4.628 1.00 0.00 H new ATOM 0 HA THR A 88 6.253 4.309 7.147 1.00 0.00 H new ATOM 0 HB THR A 88 3.963 6.090 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.798 6.371 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.762 7.682 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.231 6.148 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.967 6.490 8.451 1.00 0.00 H new ATOM 1499 N THR A 89 3.129 3.294 6.987 1.00 0.00 N ATOM 1500 CA THR A 89 2.019 2.663 7.695 1.00 0.00 C ATOM 1501 C THR A 89 2.447 1.342 8.345 1.00 0.00 C ATOM 1502 O THR A 89 2.069 1.044 9.472 1.00 0.00 O ATOM 1503 CB THR A 89 0.839 2.423 6.725 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.518 3.655 6.097 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.404 1.922 7.456 1.00 0.00 C ATOM 0 H THR A 89 2.979 3.376 5.981 1.00 0.00 H new ATOM 0 HA THR A 89 1.700 3.338 8.489 1.00 0.00 H new ATOM 0 HB THR A 89 1.141 1.666 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.344 3.979 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.210 1.766 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.177 0.981 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.714 2.661 8.195 1.00 0.00 H new ATOM 1513 N ILE A 90 3.264 0.579 7.653 1.00 0.00 N ATOM 1514 CA ILE A 90 3.725 -0.694 8.189 1.00 0.00 C ATOM 1515 C ILE A 90 5.024 -0.543 8.957 1.00 0.00 C ATOM 1516 O ILE A 90 5.477 -1.469 9.640 1.00 0.00 O ATOM 1517 CB ILE A 90 3.866 -1.771 7.104 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.769 -1.264 5.958 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.479 -2.157 6.606 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.037 -2.274 4.864 1.00 0.00 C ATOM 0 H ILE A 90 3.623 0.810 6.727 1.00 0.00 H new ATOM 0 HA ILE A 90 2.953 -1.027 8.883 1.00 0.00 H new ATOM 0 HB ILE A 90 4.344 -2.659 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.307 -0.383 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.722 -0.945 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.569 -2.922 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.890 -2.547 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.984 -1.279 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.679 -1.827 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.531 -3.148 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.094 -2.576 4.409 1.00 0.00 H new