USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD Set 1.1: A 107 HIS :FLIP no HD1:sc= -0.296 F(o=-1.3,f=-0.52) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.228 X(o=-0.52,f=-0.53) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0.734 (180deg=0.458) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 85:sc= 0.835 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 106:sc= -0.0791 USER MOD Single : A 124 MET CE :methyl -168:sc= -1.24 (180deg=-1.33) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 137 ASN : amide:sc= -0.651! C(o=-0.65!,f=-12!) USER MOD Single : A 143 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.5!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -149:sc= -0.244 (180deg=-1.38!) USER MOD Single : A 146 THR OG1 : rot -35:sc= -0.0319 USER MOD Single : A 148 LYS NZ :NH3+ 159:sc= -0.208 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 24.760 30.045 21.521 1.00 1.00 N ATOM 2 CA GLU A 82 23.761 28.959 21.309 1.00 1.00 C ATOM 3 C GLU A 82 22.629 29.099 22.324 1.00 1.00 C ATOM 4 O GLU A 82 21.758 28.256 22.407 1.00 1.00 O ATOM 5 CB GLU A 82 24.436 27.597 21.483 1.00 1.00 C ATOM 6 CG GLU A 82 25.572 27.454 20.468 1.00 1.00 C ATOM 7 CD GLU A 82 26.090 26.014 20.481 1.00 1.00 C ATOM 8 OE1 GLU A 82 25.568 25.225 21.251 1.00 1.00 O ATOM 9 OE2 GLU A 82 27.000 25.726 19.721 1.00 1.00 O ATOM 0 HA GLU A 82 23.356 29.036 20.300 1.00 1.00 H new ATOM 0 HB2 GLU A 82 24.826 27.500 22.496 1.00 1.00 H new ATOM 0 HB3 GLU A 82 23.707 26.798 21.344 1.00 1.00 H new ATOM 0 HG2 GLU A 82 25.218 27.715 19.471 1.00 1.00 H new ATOM 0 HG3 GLU A 82 26.380 28.144 20.711 1.00 1.00 H new ATOM 15 N GLU A 83 22.609 30.161 23.082 1.00 1.00 N ATOM 16 CA GLU A 83 21.503 30.343 24.062 1.00 1.00 C ATOM 17 C GLU A 83 20.192 30.470 23.285 1.00 1.00 C ATOM 18 O GLU A 83 19.156 29.996 23.707 1.00 1.00 O ATOM 19 CB GLU A 83 21.745 31.617 24.880 1.00 1.00 C ATOM 20 CG GLU A 83 20.775 31.671 26.066 1.00 1.00 C ATOM 21 CD GLU A 83 19.365 31.999 25.567 1.00 1.00 C ATOM 22 OE1 GLU A 83 19.255 32.592 24.506 1.00 1.00 O ATOM 23 OE2 GLU A 83 18.419 31.654 26.256 1.00 1.00 O ATOM 0 H GLU A 83 23.306 30.906 23.065 1.00 1.00 H new ATOM 0 HA GLU A 83 21.456 29.492 24.742 1.00 1.00 H new ATOM 0 HB2 GLU A 83 22.774 31.638 25.240 1.00 1.00 H new ATOM 0 HB3 GLU A 83 21.610 32.495 24.249 1.00 1.00 H new ATOM 0 HG2 GLU A 83 20.772 30.715 26.590 1.00 1.00 H new ATOM 0 HG3 GLU A 83 21.102 32.425 26.782 1.00 1.00 H new ATOM 30 N GLU A 84 20.232 31.117 22.152 1.00 1.00 N ATOM 31 CA GLU A 84 18.992 31.291 21.344 1.00 1.00 C ATOM 32 C GLU A 84 18.522 29.926 20.840 1.00 1.00 C ATOM 33 O GLU A 84 17.341 29.646 20.786 1.00 1.00 O ATOM 34 CB GLU A 84 19.304 32.209 20.142 1.00 1.00 C ATOM 35 CG GLU A 84 19.041 33.675 20.509 1.00 1.00 C ATOM 36 CD GLU A 84 17.536 33.901 20.663 1.00 1.00 C ATOM 37 OE1 GLU A 84 16.780 33.059 20.207 1.00 1.00 O ATOM 38 OE2 GLU A 84 17.165 34.913 21.235 1.00 1.00 O ATOM 0 H GLU A 84 21.072 31.533 21.750 1.00 1.00 H new ATOM 0 HA GLU A 84 18.208 31.739 21.954 1.00 1.00 H new ATOM 0 HB2 GLU A 84 20.344 32.084 19.840 1.00 1.00 H new ATOM 0 HB3 GLU A 84 18.688 31.924 19.289 1.00 1.00 H new ATOM 0 HG2 GLU A 84 19.554 33.926 21.437 1.00 1.00 H new ATOM 0 HG3 GLU A 84 19.441 34.332 19.736 1.00 1.00 H new ATOM 45 N ILE A 85 19.436 29.077 20.456 1.00 1.00 N ATOM 46 CA ILE A 85 19.037 27.740 19.940 1.00 1.00 C ATOM 47 C ILE A 85 18.327 26.954 21.043 1.00 1.00 C ATOM 48 O ILE A 85 17.286 26.368 20.825 1.00 1.00 O ATOM 49 CB ILE A 85 20.282 26.980 19.481 1.00 1.00 C ATOM 50 CG1 ILE A 85 21.029 27.815 18.440 1.00 1.00 C ATOM 51 CG2 ILE A 85 19.866 25.647 18.860 1.00 1.00 C ATOM 52 CD1 ILE A 85 22.365 27.145 18.115 1.00 1.00 C ATOM 0 H ILE A 85 20.441 29.253 20.478 1.00 1.00 H new ATOM 0 HA ILE A 85 18.358 27.863 19.096 1.00 1.00 H new ATOM 0 HB ILE A 85 20.932 26.794 20.336 1.00 1.00 H new ATOM 0 HG12 ILE A 85 20.428 27.911 17.536 1.00 1.00 H new ATOM 0 HG13 ILE A 85 21.198 28.823 18.819 1.00 1.00 H new ATOM 0 HG21 ILE A 85 20.753 25.105 18.533 1.00 1.00 H new ATOM 0 HG22 ILE A 85 19.330 25.052 19.600 1.00 1.00 H new ATOM 0 HG23 ILE A 85 19.217 25.831 18.004 1.00 1.00 H new ATOM 0 HD11 ILE A 85 22.899 27.739 17.373 1.00 1.00 H new ATOM 0 HD12 ILE A 85 22.965 27.072 19.022 1.00 1.00 H new ATOM 0 HD13 ILE A 85 22.184 26.146 17.718 1.00 1.00 H new ATOM 64 N ARG A 86 18.872 26.940 22.229 1.00 1.00 N ATOM 65 CA ARG A 86 18.211 26.196 23.337 1.00 1.00 C ATOM 66 C ARG A 86 16.856 26.831 23.629 1.00 1.00 C ATOM 67 O ARG A 86 15.864 26.144 23.772 1.00 1.00 O ATOM 68 CB ARG A 86 19.085 26.253 24.591 1.00 1.00 C ATOM 69 CG ARG A 86 18.437 25.423 25.699 1.00 1.00 C ATOM 70 CD ARG A 86 19.381 25.343 26.899 1.00 1.00 C ATOM 71 NE ARG A 86 18.829 24.390 27.902 1.00 1.00 N ATOM 72 CZ ARG A 86 19.592 23.933 28.856 1.00 1.00 C ATOM 73 NH1 ARG A 86 20.839 24.311 28.932 1.00 1.00 N ATOM 74 NH2 ARG A 86 19.109 23.097 29.734 1.00 1.00 N ATOM 0 H ARG A 86 19.743 27.410 22.477 1.00 1.00 H new ATOM 0 HA ARG A 86 18.073 25.155 23.045 1.00 1.00 H new ATOM 0 HB2 ARG A 86 20.082 25.871 24.371 1.00 1.00 H new ATOM 0 HB3 ARG A 86 19.205 27.286 24.918 1.00 1.00 H new ATOM 0 HG2 ARG A 86 17.490 25.873 25.998 1.00 1.00 H new ATOM 0 HG3 ARG A 86 18.212 24.421 25.333 1.00 1.00 H new ATOM 0 HD2 ARG A 86 20.370 25.016 26.576 1.00 1.00 H new ATOM 0 HD3 ARG A 86 19.502 26.329 27.347 1.00 1.00 H new ATOM 0 HE ARG A 86 17.854 24.095 27.843 1.00 1.00 H new ATOM 0 HH11 ARG A 86 21.217 24.964 28.245 1.00 1.00 H new ATOM 0 HH12 ARG A 86 21.436 23.954 29.678 1.00 1.00 H new ATOM 0 HH21 ARG A 86 18.135 22.801 29.674 1.00 1.00 H new ATOM 0 HH22 ARG A 86 19.706 22.740 30.480 1.00 1.00 H new ATOM 88 N GLU A 87 16.789 28.131 23.716 1.00 1.00 N ATOM 89 CA GLU A 87 15.479 28.777 23.996 1.00 1.00 C ATOM 90 C GLU A 87 14.499 28.404 22.885 1.00 1.00 C ATOM 91 O GLU A 87 13.379 28.012 23.138 1.00 1.00 O ATOM 92 CB GLU A 87 15.652 30.297 24.045 1.00 1.00 C ATOM 93 CG GLU A 87 14.342 30.949 24.496 1.00 1.00 C ATOM 94 CD GLU A 87 14.478 32.470 24.418 1.00 1.00 C ATOM 95 OE1 GLU A 87 15.540 32.932 24.035 1.00 1.00 O ATOM 96 OE2 GLU A 87 13.516 33.147 24.742 1.00 1.00 O ATOM 0 H GLU A 87 17.578 28.768 23.606 1.00 1.00 H new ATOM 0 HA GLU A 87 15.096 28.435 24.957 1.00 1.00 H new ATOM 0 HB2 GLU A 87 16.456 30.560 24.732 1.00 1.00 H new ATOM 0 HB3 GLU A 87 15.937 30.672 23.062 1.00 1.00 H new ATOM 0 HG2 GLU A 87 13.520 30.614 23.864 1.00 1.00 H new ATOM 0 HG3 GLU A 87 14.104 30.646 25.516 1.00 1.00 H new ATOM 103 N ALA A 88 14.917 28.501 21.653 1.00 1.00 N ATOM 104 CA ALA A 88 14.006 28.129 20.536 1.00 1.00 C ATOM 105 C ALA A 88 13.625 26.659 20.691 1.00 1.00 C ATOM 106 O ALA A 88 12.486 26.282 20.502 1.00 1.00 O ATOM 107 CB ALA A 88 14.714 28.341 19.197 1.00 1.00 C ATOM 0 H ALA A 88 15.845 28.820 21.373 1.00 1.00 H new ATOM 0 HA ALA A 88 13.112 28.752 20.562 1.00 1.00 H new ATOM 0 HB1 ALA A 88 14.043 28.067 18.383 1.00 1.00 H new ATOM 0 HB2 ALA A 88 14.997 29.389 19.097 1.00 1.00 H new ATOM 0 HB3 ALA A 88 15.608 27.718 19.155 1.00 1.00 H new ATOM 113 N PHE A 89 14.563 25.822 21.039 1.00 1.00 N ATOM 114 CA PHE A 89 14.246 24.378 21.213 1.00 1.00 C ATOM 115 C PHE A 89 13.232 24.216 22.346 1.00 1.00 C ATOM 116 O PHE A 89 12.312 23.428 22.253 1.00 1.00 O ATOM 117 CB PHE A 89 15.526 23.615 21.556 1.00 1.00 C ATOM 118 CG PHE A 89 15.246 22.132 21.567 1.00 1.00 C ATOM 119 CD1 PHE A 89 15.215 21.417 20.365 1.00 1.00 C ATOM 120 CD2 PHE A 89 15.021 21.471 22.781 1.00 1.00 C ATOM 121 CE1 PHE A 89 14.960 20.041 20.375 1.00 1.00 C ATOM 122 CE2 PHE A 89 14.765 20.095 22.790 1.00 1.00 C ATOM 123 CZ PHE A 89 14.735 19.381 21.587 1.00 1.00 C ATOM 0 H PHE A 89 15.536 26.077 21.210 1.00 1.00 H new ATOM 0 HA PHE A 89 13.825 23.981 20.290 1.00 1.00 H new ATOM 0 HB2 PHE A 89 16.303 23.843 20.827 1.00 1.00 H new ATOM 0 HB3 PHE A 89 15.900 23.932 22.530 1.00 1.00 H new ATOM 0 HD1 PHE A 89 15.388 21.927 19.429 1.00 1.00 H new ATOM 0 HD2 PHE A 89 15.045 22.022 23.709 1.00 1.00 H new ATOM 0 HE1 PHE A 89 14.937 19.489 19.447 1.00 1.00 H new ATOM 0 HE2 PHE A 89 14.591 19.584 23.726 1.00 1.00 H new ATOM 0 HZ PHE A 89 14.538 18.319 21.595 1.00 1.00 H new ATOM 133 N ARG A 90 13.381 24.953 23.414 1.00 1.00 N ATOM 134 CA ARG A 90 12.413 24.835 24.541 1.00 1.00 C ATOM 135 C ARG A 90 11.077 25.449 24.123 1.00 1.00 C ATOM 136 O ARG A 90 10.025 24.993 24.527 1.00 1.00 O ATOM 137 CB ARG A 90 12.958 25.575 25.764 1.00 1.00 C ATOM 138 CG ARG A 90 12.061 25.299 26.972 1.00 1.00 C ATOM 139 CD ARG A 90 12.537 26.135 28.160 1.00 1.00 C ATOM 140 NE ARG A 90 12.370 27.582 27.845 1.00 1.00 N ATOM 141 CZ ARG A 90 12.428 28.468 28.800 1.00 1.00 C ATOM 142 NH1 ARG A 90 12.633 28.088 30.032 1.00 1.00 N ATOM 143 NH2 ARG A 90 12.280 29.735 28.524 1.00 1.00 N ATOM 0 H ARG A 90 14.130 25.631 23.554 1.00 1.00 H new ATOM 0 HA ARG A 90 12.269 23.784 24.792 1.00 1.00 H new ATOM 0 HB2 ARG A 90 13.977 25.251 25.973 1.00 1.00 H new ATOM 0 HB3 ARG A 90 12.999 26.646 25.565 1.00 1.00 H new ATOM 0 HG2 ARG A 90 11.026 25.543 26.733 1.00 1.00 H new ATOM 0 HG3 ARG A 90 12.089 24.239 27.225 1.00 1.00 H new ATOM 0 HD2 ARG A 90 11.966 25.877 29.052 1.00 1.00 H new ATOM 0 HD3 ARG A 90 13.583 25.917 28.377 1.00 1.00 H new ATOM 0 HE ARG A 90 12.210 27.879 26.882 1.00 1.00 H new ATOM 0 HH11 ARG A 90 12.748 27.098 30.248 1.00 1.00 H new ATOM 0 HH12 ARG A 90 12.678 28.781 30.779 1.00 1.00 H new ATOM 0 HH21 ARG A 90 12.119 30.032 27.562 1.00 1.00 H new ATOM 0 HH22 ARG A 90 12.325 30.428 29.271 1.00 1.00 H new ATOM 157 N VAL A 91 11.101 26.481 23.327 1.00 1.00 N ATOM 158 CA VAL A 91 9.821 27.115 22.904 1.00 1.00 C ATOM 159 C VAL A 91 9.050 26.153 21.998 1.00 1.00 C ATOM 160 O VAL A 91 7.837 26.111 22.021 1.00 1.00 O ATOM 161 CB VAL A 91 10.114 28.428 22.167 1.00 1.00 C ATOM 162 CG1 VAL A 91 8.826 28.974 21.539 1.00 1.00 C ATOM 163 CG2 VAL A 91 10.662 29.457 23.164 1.00 1.00 C ATOM 0 H VAL A 91 11.947 26.911 22.953 1.00 1.00 H new ATOM 0 HA VAL A 91 9.213 27.336 23.781 1.00 1.00 H new ATOM 0 HB VAL A 91 10.847 28.242 21.382 1.00 1.00 H new ATOM 0 HG11 VAL A 91 9.042 29.906 21.018 1.00 1.00 H new ATOM 0 HG12 VAL A 91 8.429 28.246 20.831 1.00 1.00 H new ATOM 0 HG13 VAL A 91 8.090 29.158 22.321 1.00 1.00 H new ATOM 0 HG21 VAL A 91 10.872 30.392 22.644 1.00 1.00 H new ATOM 0 HG22 VAL A 91 9.924 29.635 23.946 1.00 1.00 H new ATOM 0 HG23 VAL A 91 11.580 29.077 23.611 1.00 1.00 H new ATOM 173 N PHE A 92 9.735 25.365 21.209 1.00 1.00 N ATOM 174 CA PHE A 92 9.015 24.401 20.327 1.00 1.00 C ATOM 175 C PHE A 92 8.629 23.173 21.153 1.00 1.00 C ATOM 176 O PHE A 92 7.643 22.517 20.884 1.00 1.00 O ATOM 177 CB PHE A 92 9.914 23.966 19.160 1.00 1.00 C ATOM 178 CG PHE A 92 10.543 25.153 18.435 1.00 1.00 C ATOM 179 CD1 PHE A 92 10.083 26.477 18.614 1.00 1.00 C ATOM 180 CD2 PHE A 92 11.608 24.911 17.557 1.00 1.00 C ATOM 181 CE1 PHE A 92 10.692 27.529 17.919 1.00 1.00 C ATOM 182 CE2 PHE A 92 12.210 25.967 16.866 1.00 1.00 C ATOM 183 CZ PHE A 92 11.754 27.275 17.047 1.00 1.00 C ATOM 0 H PHE A 92 10.752 25.348 21.138 1.00 1.00 H new ATOM 0 HA PHE A 92 8.125 24.881 19.921 1.00 1.00 H new ATOM 0 HB2 PHE A 92 10.703 23.314 19.536 1.00 1.00 H new ATOM 0 HB3 PHE A 92 9.327 23.381 18.452 1.00 1.00 H new ATOM 0 HD1 PHE A 92 9.262 26.677 19.287 1.00 1.00 H new ATOM 0 HD2 PHE A 92 11.966 23.902 17.413 1.00 1.00 H new ATOM 0 HE1 PHE A 92 10.340 28.540 18.057 1.00 1.00 H new ATOM 0 HE2 PHE A 92 13.030 25.771 16.191 1.00 1.00 H new ATOM 0 HZ PHE A 92 12.222 28.089 16.513 1.00 1.00 H new ATOM 193 N ASP A 93 9.386 22.872 22.172 1.00 1.00 N ATOM 194 CA ASP A 93 9.044 21.704 23.030 1.00 1.00 C ATOM 195 C ASP A 93 7.885 22.120 23.937 1.00 1.00 C ATOM 196 O ASP A 93 8.043 22.382 25.113 1.00 1.00 O ATOM 197 CB ASP A 93 10.282 21.302 23.856 1.00 1.00 C ATOM 198 CG ASP A 93 10.275 19.793 24.114 1.00 1.00 C ATOM 199 OD1 ASP A 93 10.342 19.050 23.149 1.00 1.00 O ATOM 200 OD2 ASP A 93 10.206 19.409 25.269 1.00 1.00 O ATOM 0 H ASP A 93 10.225 23.383 22.447 1.00 1.00 H new ATOM 0 HA ASP A 93 8.746 20.843 22.432 1.00 1.00 H new ATOM 0 HB2 ASP A 93 11.191 21.584 23.324 1.00 1.00 H new ATOM 0 HB3 ASP A 93 10.287 21.841 24.804 1.00 1.00 H new ATOM 205 N LYS A 94 6.716 22.201 23.362 1.00 1.00 N ATOM 206 CA LYS A 94 5.505 22.622 24.123 1.00 1.00 C ATOM 207 C LYS A 94 5.290 21.744 25.363 1.00 1.00 C ATOM 208 O LYS A 94 4.904 22.227 26.409 1.00 1.00 O ATOM 209 CB LYS A 94 4.277 22.499 23.217 1.00 1.00 C ATOM 210 CG LYS A 94 4.568 23.129 21.849 1.00 1.00 C ATOM 211 CD LYS A 94 5.089 24.558 22.032 1.00 1.00 C ATOM 212 CE LYS A 94 4.974 25.320 20.710 1.00 1.00 C ATOM 213 NZ LYS A 94 5.790 26.565 20.781 1.00 1.00 N ATOM 0 H LYS A 94 6.546 21.989 22.379 1.00 1.00 H new ATOM 0 HA LYS A 94 5.648 23.653 24.447 1.00 1.00 H new ATOM 0 HB2 LYS A 94 4.010 21.449 23.094 1.00 1.00 H new ATOM 0 HB3 LYS A 94 3.423 22.993 23.680 1.00 1.00 H new ATOM 0 HG2 LYS A 94 5.304 22.530 21.313 1.00 1.00 H new ATOM 0 HG3 LYS A 94 3.662 23.138 21.243 1.00 1.00 H new ATOM 0 HD2 LYS A 94 4.518 25.068 22.808 1.00 1.00 H new ATOM 0 HD3 LYS A 94 6.128 24.538 22.362 1.00 1.00 H new ATOM 0 HE2 LYS A 94 5.317 24.694 19.886 1.00 1.00 H new ATOM 0 HE3 LYS A 94 3.931 25.567 20.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 5.808 27.022 19.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 5.371 27.215 21.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 6.761 26.328 21.070 1.00 1.00 H new ATOM 227 N ASP A 95 5.508 20.457 25.256 1.00 1.00 N ATOM 228 CA ASP A 95 5.281 19.563 26.436 1.00 1.00 C ATOM 229 C ASP A 95 6.562 19.439 27.271 1.00 1.00 C ATOM 230 O ASP A 95 6.581 18.789 28.298 1.00 1.00 O ATOM 231 CB ASP A 95 4.845 18.178 25.954 1.00 1.00 C ATOM 232 CG ASP A 95 5.939 17.577 25.069 1.00 1.00 C ATOM 233 OD1 ASP A 95 7.009 18.160 25.005 1.00 1.00 O ATOM 234 OD2 ASP A 95 5.688 16.544 24.470 1.00 1.00 O ATOM 0 H ASP A 95 5.831 19.988 24.410 1.00 1.00 H new ATOM 0 HA ASP A 95 4.499 19.997 27.059 1.00 1.00 H new ATOM 0 HB2 ASP A 95 4.655 17.527 26.808 1.00 1.00 H new ATOM 0 HB3 ASP A 95 3.912 18.253 25.396 1.00 1.00 H new ATOM 239 N GLY A 96 7.624 20.064 26.851 1.00 1.00 N ATOM 240 CA GLY A 96 8.889 19.988 27.635 1.00 1.00 C ATOM 241 C GLY A 96 9.438 18.558 27.621 1.00 1.00 C ATOM 242 O GLY A 96 10.196 18.164 28.484 1.00 1.00 O ATOM 0 H GLY A 96 7.673 20.624 26.000 1.00 1.00 H new ATOM 0 HA2 GLY A 96 9.627 20.672 27.215 1.00 1.00 H new ATOM 0 HA3 GLY A 96 8.708 20.305 28.662 1.00 1.00 H new ATOM 246 N ASN A 97 9.050 17.777 26.650 1.00 1.00 N ATOM 247 CA ASN A 97 9.534 16.367 26.580 1.00 1.00 C ATOM 248 C ASN A 97 10.981 16.328 26.087 1.00 1.00 C ATOM 249 O ASN A 97 11.595 15.280 26.050 1.00 1.00 O ATOM 250 CB ASN A 97 8.639 15.566 25.627 1.00 1.00 C ATOM 251 CG ASN A 97 8.855 16.037 24.187 1.00 1.00 C ATOM 252 OD1 ASN A 97 9.580 16.980 23.948 1.00 1.00 O ATOM 253 ND2 ASN A 97 8.252 15.414 23.212 1.00 1.00 N ATOM 0 H ASN A 97 8.417 18.055 25.900 1.00 1.00 H new ATOM 0 HA ASN A 97 9.492 15.926 27.576 1.00 1.00 H new ATOM 0 HB2 ASN A 97 8.866 14.503 25.709 1.00 1.00 H new ATOM 0 HB3 ASN A 97 7.593 15.691 25.906 1.00 1.00 H new ATOM 0 HD21 ASN A 97 8.390 15.720 22.249 1.00 1.00 H new ATOM 0 HD22 ASN A 97 7.643 14.621 23.413 1.00 1.00 H new ATOM 260 N GLY A 98 11.552 17.446 25.735 1.00 1.00 N ATOM 261 CA GLY A 98 12.972 17.441 25.284 1.00 1.00 C ATOM 262 C GLY A 98 13.084 16.978 23.831 1.00 1.00 C ATOM 263 O GLY A 98 14.168 16.770 23.325 1.00 1.00 O ATOM 0 H GLY A 98 11.099 18.360 25.740 1.00 1.00 H new ATOM 0 HA2 GLY A 98 13.393 18.442 25.384 1.00 1.00 H new ATOM 0 HA3 GLY A 98 13.559 16.783 25.925 1.00 1.00 H new ATOM 267 N TYR A 99 11.977 16.812 23.151 1.00 1.00 N ATOM 268 CA TYR A 99 12.029 16.360 21.725 1.00 1.00 C ATOM 269 C TYR A 99 10.961 17.095 20.914 1.00 1.00 C ATOM 270 O TYR A 99 9.833 17.235 21.340 1.00 1.00 O ATOM 271 CB TYR A 99 11.770 14.854 21.656 1.00 1.00 C ATOM 272 CG TYR A 99 12.671 14.144 22.639 1.00 1.00 C ATOM 273 CD1 TYR A 99 14.003 13.881 22.300 1.00 1.00 C ATOM 274 CD2 TYR A 99 12.174 13.752 23.888 1.00 1.00 C ATOM 275 CE1 TYR A 99 14.840 13.224 23.211 1.00 1.00 C ATOM 276 CE2 TYR A 99 13.011 13.096 24.798 1.00 1.00 C ATOM 277 CZ TYR A 99 14.344 12.832 24.460 1.00 1.00 C ATOM 0 H TYR A 99 11.040 16.970 23.521 1.00 1.00 H new ATOM 0 HA TYR A 99 13.014 16.580 21.313 1.00 1.00 H new ATOM 0 HB2 TYR A 99 10.726 14.643 21.885 1.00 1.00 H new ATOM 0 HB3 TYR A 99 11.955 14.488 20.646 1.00 1.00 H new ATOM 0 HD1 TYR A 99 14.385 14.184 21.337 1.00 1.00 H new ATOM 0 HD2 TYR A 99 11.146 13.956 24.149 1.00 1.00 H new ATOM 0 HE1 TYR A 99 15.868 13.020 22.950 1.00 1.00 H new ATOM 0 HE2 TYR A 99 12.628 12.793 25.762 1.00 1.00 H new ATOM 286 N ILE A 100 11.307 17.566 19.745 1.00 1.00 N ATOM 287 CA ILE A 100 10.306 18.293 18.907 1.00 1.00 C ATOM 288 C ILE A 100 9.637 17.310 17.949 1.00 1.00 C ATOM 289 O ILE A 100 10.289 16.605 17.204 1.00 1.00 O ATOM 290 CB ILE A 100 11.004 19.390 18.102 1.00 1.00 C ATOM 291 CG1 ILE A 100 11.745 20.334 19.053 1.00 1.00 C ATOM 292 CG2 ILE A 100 9.961 20.183 17.312 1.00 1.00 C ATOM 293 CD1 ILE A 100 12.684 21.237 18.249 1.00 1.00 C ATOM 0 H ILE A 100 12.237 17.480 19.334 1.00 1.00 H new ATOM 0 HA ILE A 100 9.554 18.744 19.555 1.00 1.00 H new ATOM 0 HB ILE A 100 11.717 18.935 17.414 1.00 1.00 H new ATOM 0 HG12 ILE A 100 11.031 20.939 19.611 1.00 1.00 H new ATOM 0 HG13 ILE A 100 12.314 19.759 19.783 1.00 1.00 H new ATOM 0 HG21 ILE A 100 10.457 20.965 16.738 1.00 1.00 H new ATOM 0 HG22 ILE A 100 9.433 19.514 16.633 1.00 1.00 H new ATOM 0 HG23 ILE A 100 9.249 20.636 18.002 1.00 1.00 H new ATOM 0 HD11 ILE A 100 13.211 21.909 18.926 1.00 1.00 H new ATOM 0 HD12 ILE A 100 13.407 20.623 17.711 1.00 1.00 H new ATOM 0 HD13 ILE A 100 12.104 21.823 17.536 1.00 1.00 H new ATOM 305 N SER A 101 8.331 17.259 17.968 1.00 1.00 N ATOM 306 CA SER A 101 7.597 16.326 17.066 1.00 1.00 C ATOM 307 C SER A 101 7.287 17.034 15.748 1.00 1.00 C ATOM 308 O SER A 101 7.276 18.246 15.667 1.00 1.00 O ATOM 309 CB SER A 101 6.291 15.893 17.732 1.00 1.00 C ATOM 310 OG SER A 101 5.730 14.809 17.003 1.00 1.00 O ATOM 0 H SER A 101 7.739 17.827 18.574 1.00 1.00 H new ATOM 0 HA SER A 101 8.213 15.448 16.872 1.00 1.00 H new ATOM 0 HB2 SER A 101 6.477 15.595 18.764 1.00 1.00 H new ATOM 0 HB3 SER A 101 5.590 16.727 17.762 1.00 1.00 H new ATOM 0 HG SER A 101 4.893 14.527 17.428 1.00 1.00 H new ATOM 316 N ALA A 102 7.044 16.283 14.712 1.00 1.00 N ATOM 317 CA ALA A 102 6.745 16.910 13.396 1.00 1.00 C ATOM 318 C ALA A 102 5.544 17.848 13.535 1.00 1.00 C ATOM 319 O ALA A 102 5.547 18.956 13.032 1.00 1.00 O ATOM 320 CB ALA A 102 6.431 15.818 12.371 1.00 1.00 C ATOM 0 H ALA A 102 7.039 15.263 14.719 1.00 1.00 H new ATOM 0 HA ALA A 102 7.610 17.482 13.061 1.00 1.00 H new ATOM 0 HB1 ALA A 102 6.212 16.276 11.407 1.00 1.00 H new ATOM 0 HB2 ALA A 102 7.290 15.155 12.271 1.00 1.00 H new ATOM 0 HB3 ALA A 102 5.567 15.244 12.705 1.00 1.00 H new ATOM 326 N ALA A 103 4.524 17.424 14.225 1.00 1.00 N ATOM 327 CA ALA A 103 3.336 18.304 14.402 1.00 1.00 C ATOM 328 C ALA A 103 3.735 19.531 15.225 1.00 1.00 C ATOM 329 O ALA A 103 3.237 20.623 15.013 1.00 1.00 O ATOM 330 CB ALA A 103 2.231 17.535 15.130 1.00 1.00 C ATOM 0 H ALA A 103 4.461 16.510 14.673 1.00 1.00 H new ATOM 0 HA ALA A 103 2.969 18.622 13.426 1.00 1.00 H new ATOM 0 HB1 ALA A 103 1.362 18.181 15.259 1.00 1.00 H new ATOM 0 HB2 ALA A 103 1.949 16.660 14.544 1.00 1.00 H new ATOM 0 HB3 ALA A 103 2.593 17.215 16.107 1.00 1.00 H new ATOM 336 N GLU A 104 4.658 19.381 16.138 1.00 1.00 N ATOM 337 CA GLU A 104 5.102 20.558 16.932 1.00 1.00 C ATOM 338 C GLU A 104 5.831 21.515 15.985 1.00 1.00 C ATOM 339 O GLU A 104 5.691 22.720 16.068 1.00 1.00 O ATOM 340 CB GLU A 104 6.044 20.107 18.053 1.00 1.00 C ATOM 341 CG GLU A 104 5.223 19.493 19.191 1.00 1.00 C ATOM 342 CD GLU A 104 6.146 19.121 20.353 1.00 1.00 C ATOM 343 OE1 GLU A 104 7.348 19.258 20.199 1.00 1.00 O ATOM 344 OE2 GLU A 104 5.633 18.705 21.379 1.00 1.00 O ATOM 0 H GLU A 104 5.119 18.500 16.365 1.00 1.00 H new ATOM 0 HA GLU A 104 4.245 21.056 17.387 1.00 1.00 H new ATOM 0 HB2 GLU A 104 6.759 19.378 17.671 1.00 1.00 H new ATOM 0 HB3 GLU A 104 6.620 20.955 18.422 1.00 1.00 H new ATOM 0 HG2 GLU A 104 4.466 20.201 19.528 1.00 1.00 H new ATOM 0 HG3 GLU A 104 4.696 18.608 18.835 1.00 1.00 H new ATOM 351 N LEU A 105 6.596 20.978 15.070 1.00 1.00 N ATOM 352 CA LEU A 105 7.314 21.854 14.108 1.00 1.00 C ATOM 353 C LEU A 105 6.267 22.589 13.269 1.00 1.00 C ATOM 354 O LEU A 105 6.438 23.724 12.877 1.00 1.00 O ATOM 355 CB LEU A 105 8.215 21.000 13.193 1.00 1.00 C ATOM 356 CG LEU A 105 9.361 21.868 12.619 1.00 1.00 C ATOM 357 CD1 LEU A 105 10.532 21.923 13.612 1.00 1.00 C ATOM 358 CD2 LEU A 105 9.855 21.269 11.293 1.00 1.00 C ATOM 0 H LEU A 105 6.752 19.977 14.951 1.00 1.00 H new ATOM 0 HA LEU A 105 7.942 22.568 14.641 1.00 1.00 H new ATOM 0 HB2 LEU A 105 8.628 20.163 13.755 1.00 1.00 H new ATOM 0 HB3 LEU A 105 7.625 20.578 12.380 1.00 1.00 H new ATOM 0 HG LEU A 105 8.983 22.876 12.449 1.00 1.00 H new ATOM 0 HD11 LEU A 105 11.332 22.536 13.197 1.00 1.00 H new ATOM 0 HD12 LEU A 105 10.192 22.357 14.552 1.00 1.00 H new ATOM 0 HD13 LEU A 105 10.904 20.914 13.792 1.00 1.00 H new ATOM 0 HD21 LEU A 105 10.661 21.884 10.894 1.00 1.00 H new ATOM 0 HD22 LEU A 105 10.222 20.257 11.465 1.00 1.00 H new ATOM 0 HD23 LEU A 105 9.033 21.240 10.578 1.00 1.00 H new ATOM 370 N ARG A 106 5.175 21.930 12.995 1.00 1.00 N ATOM 371 CA ARG A 106 4.099 22.566 12.192 1.00 1.00 C ATOM 372 C ARG A 106 3.487 23.715 12.997 1.00 1.00 C ATOM 373 O ARG A 106 3.101 24.730 12.457 1.00 1.00 O ATOM 374 CB ARG A 106 3.018 21.527 11.889 1.00 1.00 C ATOM 375 CG ARG A 106 1.928 22.158 11.021 1.00 1.00 C ATOM 376 CD ARG A 106 0.907 21.089 10.631 1.00 1.00 C ATOM 377 NE ARG A 106 0.342 20.472 11.864 1.00 1.00 N ATOM 378 CZ ARG A 106 -0.746 19.755 11.795 1.00 1.00 C ATOM 379 NH1 ARG A 106 -1.341 19.581 10.646 1.00 1.00 N ATOM 380 NH2 ARG A 106 -1.240 19.213 12.874 1.00 1.00 N ATOM 0 H ARG A 106 4.983 20.974 13.295 1.00 1.00 H new ATOM 0 HA ARG A 106 4.510 22.950 11.258 1.00 1.00 H new ATOM 0 HB2 ARG A 106 3.456 20.671 11.375 1.00 1.00 H new ATOM 0 HB3 ARG A 106 2.587 21.155 12.818 1.00 1.00 H new ATOM 0 HG2 ARG A 106 1.437 22.965 11.565 1.00 1.00 H new ATOM 0 HG3 ARG A 106 2.369 22.599 10.127 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.110 21.532 10.035 1.00 1.00 H new ATOM 0 HD3 ARG A 106 1.381 20.326 10.013 1.00 1.00 H new ATOM 0 HE ARG A 106 0.806 20.610 12.762 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -0.955 20.005 9.803 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -2.191 19.021 10.592 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -0.776 19.350 13.772 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -2.091 18.653 12.820 1.00 1.00 H new ATOM 394 N HIS A 107 3.409 23.563 14.293 1.00 1.00 N ATOM 395 CA HIS A 107 2.835 24.648 15.143 1.00 1.00 C ATOM 396 C HIS A 107 3.770 25.862 15.137 1.00 1.00 C ATOM 397 O HIS A 107 3.355 26.971 14.859 1.00 1.00 O ATOM 398 CB HIS A 107 2.681 24.133 16.577 1.00 1.00 C ATOM 399 CG HIS A 107 2.203 25.249 17.465 1.00 1.00 C ATOM 400 ND1 HIS A 107 2.881 26.180 18.212 1.00 1.00 N flip ATOM 401 CD2 HIS A 107 0.857 25.510 17.664 1.00 1.00 C flip ATOM 402 CE1 HIS A 107 1.973 27.007 18.866 1.00 1.00 C flip ATOM 403 NE2 HIS A 107 0.768 26.560 18.501 1.00 1.00 N flip ATOM 0 H HIS A 107 3.718 22.734 14.800 1.00 1.00 H new ATOM 0 HA HIS A 107 1.863 24.942 14.748 1.00 1.00 H new ATOM 0 HB2 HIS A 107 1.972 23.305 16.603 1.00 1.00 H new ATOM 0 HB3 HIS A 107 3.634 23.748 16.940 1.00 1.00 H new ATOM 0 HD2 HIS A 107 0.030 24.970 17.227 1.00 1.00 H new ATOM 0 HE1 HIS A 107 2.195 27.832 19.526 1.00 1.00 H new ATOM 0 HE2 HIS A 107 -0.113 26.965 18.818 1.00 1.00 H new ATOM 411 N VAL A 108 5.022 25.675 15.458 1.00 1.00 N ATOM 412 CA VAL A 108 5.960 26.836 15.488 1.00 1.00 C ATOM 413 C VAL A 108 6.139 27.401 14.077 1.00 1.00 C ATOM 414 O VAL A 108 6.101 28.596 13.867 1.00 1.00 O ATOM 415 CB VAL A 108 7.319 26.405 16.066 1.00 1.00 C ATOM 416 CG1 VAL A 108 7.102 25.545 17.313 1.00 1.00 C ATOM 417 CG2 VAL A 108 8.110 25.599 15.035 1.00 1.00 C ATOM 0 H VAL A 108 5.435 24.774 15.700 1.00 1.00 H new ATOM 0 HA VAL A 108 5.540 27.613 16.127 1.00 1.00 H new ATOM 0 HB VAL A 108 7.882 27.301 16.326 1.00 1.00 H new ATOM 0 HG11 VAL A 108 8.067 25.242 17.719 1.00 1.00 H new ATOM 0 HG12 VAL A 108 6.558 26.121 18.062 1.00 1.00 H new ATOM 0 HG13 VAL A 108 6.526 24.659 17.048 1.00 1.00 H new ATOM 0 HG21 VAL A 108 9.068 25.303 15.462 1.00 1.00 H new ATOM 0 HG22 VAL A 108 7.545 24.709 14.758 1.00 1.00 H new ATOM 0 HG23 VAL A 108 8.281 26.210 14.149 1.00 1.00 H new ATOM 427 N MET A 109 6.353 26.551 13.112 1.00 1.00 N ATOM 428 CA MET A 109 6.560 27.044 11.722 1.00 1.00 C ATOM 429 C MET A 109 5.288 27.700 11.191 1.00 1.00 C ATOM 430 O MET A 109 5.339 28.707 10.514 1.00 1.00 O ATOM 431 CB MET A 109 6.932 25.872 10.807 1.00 1.00 C ATOM 432 CG MET A 109 8.348 25.388 11.129 1.00 1.00 C ATOM 433 SD MET A 109 9.549 26.643 10.622 1.00 1.00 S ATOM 434 CE MET A 109 10.802 26.278 11.876 1.00 1.00 C ATOM 0 H MET A 109 6.393 25.538 13.225 1.00 1.00 H new ATOM 0 HA MET A 109 7.365 27.779 11.735 1.00 1.00 H new ATOM 0 HB2 MET A 109 6.221 25.057 10.939 1.00 1.00 H new ATOM 0 HB3 MET A 109 6.873 26.181 9.763 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.442 25.191 12.197 1.00 1.00 H new ATOM 0 HG3 MET A 109 8.548 24.449 10.613 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.651 26.949 11.748 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.375 26.419 12.869 1.00 1.00 H new ATOM 0 HE3 MET A 109 11.136 25.246 11.767 1.00 1.00 H new ATOM 444 N THR A 110 4.149 27.140 11.484 1.00 1.00 N ATOM 445 CA THR A 110 2.878 27.727 10.977 1.00 1.00 C ATOM 446 C THR A 110 2.645 29.113 11.576 1.00 1.00 C ATOM 447 O THR A 110 2.285 30.039 10.876 1.00 1.00 O ATOM 448 CB THR A 110 1.708 26.808 11.345 1.00 1.00 C ATOM 449 OG1 THR A 110 1.847 25.572 10.656 1.00 1.00 O ATOM 450 CG2 THR A 110 0.387 27.467 10.943 1.00 1.00 C ATOM 0 H THR A 110 4.043 26.300 12.053 1.00 1.00 H new ATOM 0 HA THR A 110 2.947 27.824 9.894 1.00 1.00 H new ATOM 0 HB THR A 110 1.710 26.633 12.421 1.00 1.00 H new ATOM 0 HG1 THR A 110 2.440 24.979 11.164 1.00 1.00 H new ATOM 0 HG21 THR A 110 -0.442 26.810 11.206 1.00 1.00 H new ATOM 0 HG22 THR A 110 0.279 28.416 11.468 1.00 1.00 H new ATOM 0 HG23 THR A 110 0.382 27.645 9.868 1.00 1.00 H new ATOM 458 N ASN A 111 2.832 29.279 12.857 1.00 1.00 N ATOM 459 CA ASN A 111 2.596 30.626 13.453 1.00 1.00 C ATOM 460 C ASN A 111 3.765 31.563 13.119 1.00 1.00 C ATOM 461 O ASN A 111 3.607 32.765 13.056 1.00 1.00 O ATOM 462 CB ASN A 111 2.439 30.506 14.970 1.00 1.00 C ATOM 463 CG ASN A 111 1.316 29.519 15.290 1.00 1.00 C ATOM 464 OD1 ASN A 111 0.276 29.538 14.662 1.00 1.00 O ATOM 465 ND2 ASN A 111 1.483 28.649 16.249 1.00 1.00 N ATOM 0 H ASN A 111 3.133 28.554 13.508 1.00 1.00 H new ATOM 0 HA ASN A 111 1.680 31.042 13.033 1.00 1.00 H new ATOM 0 HB2 ASN A 111 3.374 30.167 15.417 1.00 1.00 H new ATOM 0 HB3 ASN A 111 2.214 31.481 15.401 1.00 1.00 H new ATOM 0 HD21 ASN A 111 0.741 27.986 16.471 1.00 1.00 H new ATOM 0 HD22 ASN A 111 2.356 28.633 16.776 1.00 1.00 H new ATOM 472 N LEU A 112 4.936 31.023 12.893 1.00 1.00 N ATOM 473 CA LEU A 112 6.105 31.887 12.552 1.00 1.00 C ATOM 474 C LEU A 112 5.902 32.509 11.163 1.00 1.00 C ATOM 475 O LEU A 112 6.709 33.294 10.706 1.00 1.00 O ATOM 476 CB LEU A 112 7.390 31.041 12.550 1.00 1.00 C ATOM 477 CG LEU A 112 7.894 30.826 13.991 1.00 1.00 C ATOM 478 CD1 LEU A 112 8.881 29.652 14.016 1.00 1.00 C ATOM 479 CD2 LEU A 112 8.606 32.089 14.514 1.00 1.00 C ATOM 0 H LEU A 112 5.132 30.023 12.930 1.00 1.00 H new ATOM 0 HA LEU A 112 6.193 32.680 13.295 1.00 1.00 H new ATOM 0 HB2 LEU A 112 7.198 30.078 12.078 1.00 1.00 H new ATOM 0 HB3 LEU A 112 8.159 31.538 11.959 1.00 1.00 H new ATOM 0 HG LEU A 112 7.036 30.613 14.629 1.00 1.00 H new ATOM 0 HD11 LEU A 112 9.238 29.499 15.034 1.00 1.00 H new ATOM 0 HD12 LEU A 112 8.381 28.749 13.667 1.00 1.00 H new ATOM 0 HD13 LEU A 112 9.726 29.873 13.364 1.00 1.00 H new ATOM 0 HD21 LEU A 112 8.954 31.915 15.532 1.00 1.00 H new ATOM 0 HD22 LEU A 112 9.458 32.318 13.874 1.00 1.00 H new ATOM 0 HD23 LEU A 112 7.911 32.928 14.506 1.00 1.00 H new ATOM 491 N GLY A 113 4.830 32.171 10.491 1.00 1.00 N ATOM 492 CA GLY A 113 4.570 32.748 9.132 1.00 1.00 C ATOM 493 C GLY A 113 4.960 31.738 8.047 1.00 1.00 C ATOM 494 O GLY A 113 4.716 31.952 6.876 1.00 1.00 O ATOM 0 H GLY A 113 4.120 31.519 10.824 1.00 1.00 H new ATOM 0 HA2 GLY A 113 3.516 33.009 9.035 1.00 1.00 H new ATOM 0 HA3 GLY A 113 5.139 33.669 9.004 1.00 1.00 H new ATOM 498 N GLU A 114 5.543 30.630 8.427 1.00 1.00 N ATOM 499 CA GLU A 114 5.928 29.588 7.421 1.00 1.00 C ATOM 500 C GLU A 114 4.889 28.468 7.478 1.00 1.00 C ATOM 501 O GLU A 114 4.773 27.781 8.470 1.00 1.00 O ATOM 502 CB GLU A 114 7.305 29.022 7.778 1.00 1.00 C ATOM 503 CG GLU A 114 8.316 30.164 7.888 1.00 1.00 C ATOM 504 CD GLU A 114 8.524 30.795 6.510 1.00 1.00 C ATOM 505 OE1 GLU A 114 8.146 30.172 5.532 1.00 1.00 O ATOM 506 OE2 GLU A 114 9.058 31.890 6.457 1.00 1.00 O ATOM 0 H GLU A 114 5.771 30.399 9.394 1.00 1.00 H new ATOM 0 HA GLU A 114 5.967 30.020 6.421 1.00 1.00 H new ATOM 0 HB2 GLU A 114 7.252 28.477 8.721 1.00 1.00 H new ATOM 0 HB3 GLU A 114 7.626 28.311 7.017 1.00 1.00 H new ATOM 0 HG2 GLU A 114 7.958 30.914 8.593 1.00 1.00 H new ATOM 0 HG3 GLU A 114 9.264 29.789 8.275 1.00 1.00 H new ATOM 513 N LYS A 115 4.141 28.256 6.421 1.00 1.00 N ATOM 514 CA LYS A 115 3.119 27.159 6.433 1.00 1.00 C ATOM 515 C LYS A 115 3.666 25.955 5.665 1.00 1.00 C ATOM 516 O LYS A 115 3.737 25.954 4.452 1.00 1.00 O ATOM 517 CB LYS A 115 1.822 27.657 5.780 1.00 1.00 C ATOM 518 CG LYS A 115 0.848 26.490 5.561 1.00 1.00 C ATOM 519 CD LYS A 115 0.682 25.692 6.860 1.00 1.00 C ATOM 520 CE LYS A 115 -0.586 24.839 6.785 1.00 1.00 C ATOM 521 NZ LYS A 115 -0.565 23.820 7.872 1.00 1.00 N ATOM 0 H LYS A 115 4.193 28.792 5.554 1.00 1.00 H new ATOM 0 HA LYS A 115 2.905 26.864 7.460 1.00 1.00 H new ATOM 0 HB2 LYS A 115 1.357 28.413 6.412 1.00 1.00 H new ATOM 0 HB3 LYS A 115 2.048 28.134 4.826 1.00 1.00 H new ATOM 0 HG2 LYS A 115 -0.119 26.870 5.232 1.00 1.00 H new ATOM 0 HG3 LYS A 115 1.220 25.839 4.770 1.00 1.00 H new ATOM 0 HD2 LYS A 115 1.551 25.054 7.020 1.00 1.00 H new ATOM 0 HD3 LYS A 115 0.625 26.371 7.710 1.00 1.00 H new ATOM 0 HE2 LYS A 115 -1.469 25.471 6.882 1.00 1.00 H new ATOM 0 HE3 LYS A 115 -0.650 24.349 5.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 -1.427 23.240 7.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 0.270 23.210 7.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 -0.523 24.298 8.795 1.00 1.00 H new ATOM 535 N LEU A 116 4.058 24.930 6.375 1.00 1.00 N ATOM 536 CA LEU A 116 4.612 23.709 5.717 1.00 1.00 C ATOM 537 C LEU A 116 3.547 22.612 5.703 1.00 1.00 C ATOM 538 O LEU A 116 2.771 22.468 6.627 1.00 1.00 O ATOM 539 CB LEU A 116 5.829 23.212 6.511 1.00 1.00 C ATOM 540 CG LEU A 116 7.054 24.077 6.192 1.00 1.00 C ATOM 541 CD1 LEU A 116 6.829 25.514 6.682 1.00 1.00 C ATOM 542 CD2 LEU A 116 8.282 23.481 6.891 1.00 1.00 C ATOM 0 H LEU A 116 4.018 24.886 7.393 1.00 1.00 H new ATOM 0 HA LEU A 116 4.908 23.950 4.696 1.00 1.00 H new ATOM 0 HB2 LEU A 116 5.616 23.249 7.579 1.00 1.00 H new ATOM 0 HB3 LEU A 116 6.035 22.171 6.263 1.00 1.00 H new ATOM 0 HG LEU A 116 7.213 24.095 5.114 1.00 1.00 H new ATOM 0 HD11 LEU A 116 7.706 26.119 6.450 1.00 1.00 H new ATOM 0 HD12 LEU A 116 5.955 25.935 6.185 1.00 1.00 H new ATOM 0 HD13 LEU A 116 6.666 25.510 7.760 1.00 1.00 H new ATOM 0 HD21 LEU A 116 9.158 24.090 6.669 1.00 1.00 H new ATOM 0 HD22 LEU A 116 8.115 23.464 7.968 1.00 1.00 H new ATOM 0 HD23 LEU A 116 8.447 22.465 6.533 1.00 1.00 H new ATOM 554 N THR A 117 3.529 21.821 4.668 1.00 1.00 N ATOM 555 CA THR A 117 2.536 20.713 4.608 1.00 1.00 C ATOM 556 C THR A 117 3.081 19.554 5.443 1.00 1.00 C ATOM 557 O THR A 117 4.239 19.542 5.811 1.00 1.00 O ATOM 558 CB THR A 117 2.355 20.262 3.157 1.00 1.00 C ATOM 559 OG1 THR A 117 3.544 19.626 2.711 1.00 1.00 O ATOM 560 CG2 THR A 117 2.062 21.477 2.276 1.00 1.00 C ATOM 0 H THR A 117 4.154 21.892 3.865 1.00 1.00 H new ATOM 0 HA THR A 117 1.571 21.042 4.994 1.00 1.00 H new ATOM 0 HB THR A 117 1.522 19.562 3.094 1.00 1.00 H new ATOM 0 HG1 THR A 117 3.401 18.657 2.668 1.00 1.00 H new ATOM 0 HG21 THR A 117 1.933 21.155 1.243 1.00 1.00 H new ATOM 0 HG22 THR A 117 1.150 21.965 2.620 1.00 1.00 H new ATOM 0 HG23 THR A 117 2.894 22.179 2.336 1.00 1.00 H new ATOM 568 N ASP A 118 2.269 18.586 5.760 1.00 1.00 N ATOM 569 CA ASP A 118 2.770 17.453 6.584 1.00 1.00 C ATOM 570 C ASP A 118 3.957 16.798 5.881 1.00 1.00 C ATOM 571 O ASP A 118 4.883 16.335 6.518 1.00 1.00 O ATOM 572 CB ASP A 118 1.656 16.424 6.789 1.00 1.00 C ATOM 573 CG ASP A 118 0.649 16.957 7.812 1.00 1.00 C ATOM 574 OD1 ASP A 118 0.892 18.022 8.354 1.00 1.00 O ATOM 575 OD2 ASP A 118 -0.347 16.290 8.035 1.00 1.00 O ATOM 0 H ASP A 118 1.288 18.530 5.487 1.00 1.00 H new ATOM 0 HA ASP A 118 3.088 17.829 7.557 1.00 1.00 H new ATOM 0 HB2 ASP A 118 1.156 16.221 5.842 1.00 1.00 H new ATOM 0 HB3 ASP A 118 2.077 15.480 7.136 1.00 1.00 H new ATOM 580 N GLU A 119 3.952 16.755 4.577 1.00 1.00 N ATOM 581 CA GLU A 119 5.098 16.130 3.861 1.00 1.00 C ATOM 582 C GLU A 119 6.302 17.075 3.917 1.00 1.00 C ATOM 583 O GLU A 119 7.426 16.653 4.102 1.00 1.00 O ATOM 584 CB GLU A 119 4.713 15.862 2.406 1.00 1.00 C ATOM 585 CG GLU A 119 3.593 14.821 2.360 1.00 1.00 C ATOM 586 CD GLU A 119 2.294 15.447 2.871 1.00 1.00 C ATOM 587 OE1 GLU A 119 2.204 16.664 2.867 1.00 1.00 O ATOM 588 OE2 GLU A 119 1.412 14.699 3.258 1.00 1.00 O ATOM 0 H GLU A 119 3.210 17.122 3.981 1.00 1.00 H new ATOM 0 HA GLU A 119 5.356 15.184 4.338 1.00 1.00 H new ATOM 0 HB2 GLU A 119 4.386 16.786 1.929 1.00 1.00 H new ATOM 0 HB3 GLU A 119 5.579 15.505 1.849 1.00 1.00 H new ATOM 0 HG2 GLU A 119 3.459 14.460 1.340 1.00 1.00 H new ATOM 0 HG3 GLU A 119 3.858 13.958 2.971 1.00 1.00 H new ATOM 595 N GLU A 120 6.074 18.354 3.778 1.00 1.00 N ATOM 596 CA GLU A 120 7.204 19.323 3.847 1.00 1.00 C ATOM 597 C GLU A 120 7.828 19.248 5.238 1.00 1.00 C ATOM 598 O GLU A 120 9.036 19.306 5.391 1.00 1.00 O ATOM 599 CB GLU A 120 6.689 20.742 3.595 1.00 1.00 C ATOM 600 CG GLU A 120 6.311 20.893 2.120 1.00 1.00 C ATOM 601 CD GLU A 120 7.580 20.889 1.266 1.00 1.00 C ATOM 602 OE1 GLU A 120 8.646 21.093 1.824 1.00 1.00 O ATOM 603 OE2 GLU A 120 7.465 20.682 0.070 1.00 1.00 O ATOM 0 H GLU A 120 5.155 18.768 3.620 1.00 1.00 H new ATOM 0 HA GLU A 120 7.947 19.076 3.089 1.00 1.00 H new ATOM 0 HB2 GLU A 120 5.823 20.943 4.226 1.00 1.00 H new ATOM 0 HB3 GLU A 120 7.454 21.471 3.862 1.00 1.00 H new ATOM 0 HG2 GLU A 120 5.653 20.079 1.817 1.00 1.00 H new ATOM 0 HG3 GLU A 120 5.760 21.821 1.968 1.00 1.00 H new ATOM 610 N VAL A 121 7.029 19.096 6.259 1.00 1.00 N ATOM 611 CA VAL A 121 7.610 18.997 7.623 1.00 1.00 C ATOM 612 C VAL A 121 8.296 17.638 7.734 1.00 1.00 C ATOM 613 O VAL A 121 9.351 17.510 8.322 1.00 1.00 O ATOM 614 CB VAL A 121 6.520 19.142 8.688 1.00 1.00 C ATOM 615 CG1 VAL A 121 7.127 18.920 10.073 1.00 1.00 C ATOM 616 CG2 VAL A 121 5.915 20.548 8.615 1.00 1.00 C ATOM 0 H VAL A 121 6.012 19.037 6.207 1.00 1.00 H new ATOM 0 HA VAL A 121 8.329 19.799 7.788 1.00 1.00 H new ATOM 0 HB VAL A 121 5.740 18.402 8.510 1.00 1.00 H new ATOM 0 HG11 VAL A 121 6.351 19.023 10.831 1.00 1.00 H new ATOM 0 HG12 VAL A 121 7.555 17.919 10.126 1.00 1.00 H new ATOM 0 HG13 VAL A 121 7.908 19.659 10.251 1.00 1.00 H new ATOM 0 HG21 VAL A 121 5.139 20.650 9.374 1.00 1.00 H new ATOM 0 HG22 VAL A 121 6.695 21.289 8.791 1.00 1.00 H new ATOM 0 HG23 VAL A 121 5.480 20.706 7.628 1.00 1.00 H new ATOM 626 N ASP A 122 7.729 16.630 7.133 1.00 1.00 N ATOM 627 CA ASP A 122 8.384 15.298 7.167 1.00 1.00 C ATOM 628 C ASP A 122 9.762 15.447 6.530 1.00 1.00 C ATOM 629 O ASP A 122 10.749 14.965 7.046 1.00 1.00 O ATOM 630 CB ASP A 122 7.551 14.291 6.370 1.00 1.00 C ATOM 631 CG ASP A 122 6.202 14.085 7.061 1.00 1.00 C ATOM 632 OD1 ASP A 122 6.068 14.514 8.195 1.00 1.00 O ATOM 633 OD2 ASP A 122 5.326 13.502 6.445 1.00 1.00 O ATOM 0 H ASP A 122 6.846 16.672 6.624 1.00 1.00 H new ATOM 0 HA ASP A 122 8.471 14.939 8.192 1.00 1.00 H new ATOM 0 HB2 ASP A 122 7.399 14.653 5.353 1.00 1.00 H new ATOM 0 HB3 ASP A 122 8.082 13.342 6.295 1.00 1.00 H new ATOM 638 N GLU A 123 9.845 16.128 5.418 1.00 1.00 N ATOM 639 CA GLU A 123 11.167 16.324 4.760 1.00 1.00 C ATOM 640 C GLU A 123 12.122 16.991 5.752 1.00 1.00 C ATOM 641 O GLU A 123 13.251 16.574 5.919 1.00 1.00 O ATOM 642 CB GLU A 123 10.994 17.225 3.535 1.00 1.00 C ATOM 643 CG GLU A 123 12.321 17.326 2.777 1.00 1.00 C ATOM 644 CD GLU A 123 12.160 18.281 1.594 1.00 1.00 C ATOM 645 OE1 GLU A 123 11.076 18.817 1.433 1.00 1.00 O ATOM 646 OE2 GLU A 123 13.124 18.461 0.868 1.00 1.00 O ATOM 0 H GLU A 123 9.054 16.557 4.938 1.00 1.00 H new ATOM 0 HA GLU A 123 11.573 15.362 4.448 1.00 1.00 H new ATOM 0 HB2 GLU A 123 10.221 16.822 2.881 1.00 1.00 H new ATOM 0 HB3 GLU A 123 10.665 18.217 3.845 1.00 1.00 H new ATOM 0 HG2 GLU A 123 13.106 17.684 3.443 1.00 1.00 H new ATOM 0 HG3 GLU A 123 12.627 16.341 2.424 1.00 1.00 H new ATOM 653 N MET A 124 11.676 18.022 6.419 1.00 1.00 N ATOM 654 CA MET A 124 12.560 18.709 7.403 1.00 1.00 C ATOM 655 C MET A 124 12.883 17.760 8.558 1.00 1.00 C ATOM 656 O MET A 124 13.997 17.704 9.040 1.00 1.00 O ATOM 657 CB MET A 124 11.847 19.948 7.961 1.00 1.00 C ATOM 658 CG MET A 124 11.863 21.069 6.918 1.00 1.00 C ATOM 659 SD MET A 124 11.151 22.570 7.636 1.00 1.00 S ATOM 660 CE MET A 124 11.585 23.695 6.287 1.00 1.00 C ATOM 0 H MET A 124 10.740 18.417 6.325 1.00 1.00 H new ATOM 0 HA MET A 124 13.482 19.007 6.904 1.00 1.00 H new ATOM 0 HB2 MET A 124 10.819 19.699 8.225 1.00 1.00 H new ATOM 0 HB3 MET A 124 12.339 20.282 8.875 1.00 1.00 H new ATOM 0 HG2 MET A 124 12.884 21.260 6.589 1.00 1.00 H new ATOM 0 HG3 MET A 124 11.295 20.769 6.037 1.00 1.00 H new ATOM 0 HE1 MET A 124 11.430 24.725 6.608 1.00 1.00 H new ATOM 0 HE2 MET A 124 12.631 23.553 6.017 1.00 1.00 H new ATOM 0 HE3 MET A 124 10.956 23.486 5.422 1.00 1.00 H new ATOM 670 N ILE A 125 11.909 17.023 9.012 1.00 1.00 N ATOM 671 CA ILE A 125 12.139 16.084 10.145 1.00 1.00 C ATOM 672 C ILE A 125 13.100 14.972 9.712 1.00 1.00 C ATOM 673 O ILE A 125 14.052 14.660 10.397 1.00 1.00 O ATOM 674 CB ILE A 125 10.794 15.467 10.551 1.00 1.00 C ATOM 675 CG1 ILE A 125 9.862 16.559 11.125 1.00 1.00 C ATOM 676 CG2 ILE A 125 11.015 14.351 11.579 1.00 1.00 C ATOM 677 CD1 ILE A 125 10.147 16.820 12.613 1.00 1.00 C ATOM 0 H ILE A 125 10.957 17.031 8.645 1.00 1.00 H new ATOM 0 HA ILE A 125 12.575 16.622 10.987 1.00 1.00 H new ATOM 0 HB ILE A 125 10.320 15.035 9.669 1.00 1.00 H new ATOM 0 HG12 ILE A 125 9.992 17.483 10.561 1.00 1.00 H new ATOM 0 HG13 ILE A 125 8.823 16.254 11.001 1.00 1.00 H new ATOM 0 HG21 ILE A 125 10.054 13.920 11.860 1.00 1.00 H new ATOM 0 HG22 ILE A 125 11.647 13.576 11.145 1.00 1.00 H new ATOM 0 HG23 ILE A 125 11.501 14.762 12.464 1.00 1.00 H new ATOM 0 HD11 ILE A 125 9.473 17.593 12.982 1.00 1.00 H new ATOM 0 HD12 ILE A 125 9.991 15.902 13.180 1.00 1.00 H new ATOM 0 HD13 ILE A 125 11.179 17.150 12.733 1.00 1.00 H new ATOM 689 N ARG A 126 12.853 14.369 8.584 1.00 1.00 N ATOM 690 CA ARG A 126 13.743 13.271 8.113 1.00 1.00 C ATOM 691 C ARG A 126 15.158 13.807 7.887 1.00 1.00 C ATOM 692 O ARG A 126 16.132 13.146 8.189 1.00 1.00 O ATOM 693 CB ARG A 126 13.196 12.701 6.798 1.00 1.00 C ATOM 694 CG ARG A 126 11.768 12.159 7.008 1.00 1.00 C ATOM 695 CD ARG A 126 11.813 10.709 7.513 1.00 1.00 C ATOM 696 NE ARG A 126 10.532 10.386 8.200 1.00 1.00 N ATOM 697 CZ ARG A 126 10.221 9.144 8.452 1.00 1.00 C ATOM 698 NH1 ARG A 126 11.033 8.185 8.103 1.00 1.00 N ATOM 699 NH2 ARG A 126 9.098 8.862 9.054 1.00 1.00 N ATOM 0 H ARG A 126 12.072 14.589 7.966 1.00 1.00 H new ATOM 0 HA ARG A 126 13.775 12.486 8.868 1.00 1.00 H new ATOM 0 HB2 ARG A 126 13.190 13.476 6.031 1.00 1.00 H new ATOM 0 HB3 ARG A 126 13.847 11.903 6.440 1.00 1.00 H new ATOM 0 HG2 ARG A 126 11.237 12.784 7.726 1.00 1.00 H new ATOM 0 HG3 ARG A 126 11.213 12.207 6.071 1.00 1.00 H new ATOM 0 HD2 ARG A 126 11.973 10.026 6.679 1.00 1.00 H new ATOM 0 HD3 ARG A 126 12.650 10.577 8.199 1.00 1.00 H new ATOM 0 HE ARG A 126 9.897 11.136 8.474 1.00 1.00 H new ATOM 0 HH11 ARG A 126 11.911 8.406 7.633 1.00 1.00 H new ATOM 0 HH12 ARG A 126 10.790 7.214 8.300 1.00 1.00 H new ATOM 0 HH21 ARG A 126 8.464 9.612 9.327 1.00 1.00 H new ATOM 0 HH22 ARG A 126 8.855 7.891 9.251 1.00 1.00 H new ATOM 713 N GLU A 127 15.288 14.987 7.350 1.00 1.00 N ATOM 714 CA GLU A 127 16.654 15.529 7.105 1.00 1.00 C ATOM 715 C GLU A 127 17.319 15.849 8.447 1.00 1.00 C ATOM 716 O GLU A 127 18.497 15.616 8.635 1.00 1.00 O ATOM 717 CB GLU A 127 16.560 16.800 6.246 1.00 1.00 C ATOM 718 CG GLU A 127 16.431 16.425 4.763 1.00 1.00 C ATOM 719 CD GLU A 127 15.304 15.404 4.579 1.00 1.00 C ATOM 720 OE1 GLU A 127 15.460 14.288 5.045 1.00 1.00 O ATOM 721 OE2 GLU A 127 14.307 15.755 3.970 1.00 1.00 O ATOM 0 H GLU A 127 14.517 15.595 7.072 1.00 1.00 H new ATOM 0 HA GLU A 127 17.253 14.789 6.574 1.00 1.00 H new ATOM 0 HB2 GLU A 127 15.700 17.395 6.555 1.00 1.00 H new ATOM 0 HB3 GLU A 127 17.446 17.417 6.398 1.00 1.00 H new ATOM 0 HG2 GLU A 127 16.226 17.316 4.170 1.00 1.00 H new ATOM 0 HG3 GLU A 127 17.372 16.010 4.401 1.00 1.00 H new ATOM 728 N ALA A 128 16.582 16.393 9.379 1.00 1.00 N ATOM 729 CA ALA A 128 17.183 16.739 10.702 1.00 1.00 C ATOM 730 C ALA A 128 17.165 15.519 11.628 1.00 1.00 C ATOM 731 O ALA A 128 17.929 15.436 12.569 1.00 1.00 O ATOM 732 CB ALA A 128 16.379 17.872 11.340 1.00 1.00 C ATOM 0 H ALA A 128 15.591 16.613 9.282 1.00 1.00 H new ATOM 0 HA ALA A 128 18.216 17.054 10.552 1.00 1.00 H new ATOM 0 HB1 ALA A 128 16.814 18.128 12.306 1.00 1.00 H new ATOM 0 HB2 ALA A 128 16.402 18.746 10.689 1.00 1.00 H new ATOM 0 HB3 ALA A 128 15.347 17.551 11.481 1.00 1.00 H new ATOM 738 N ASP A 129 16.308 14.569 11.369 1.00 1.00 N ATOM 739 CA ASP A 129 16.257 13.357 12.238 1.00 1.00 C ATOM 740 C ASP A 129 17.340 12.376 11.794 1.00 1.00 C ATOM 741 O ASP A 129 17.221 11.711 10.784 1.00 1.00 O ATOM 742 CB ASP A 129 14.885 12.691 12.112 1.00 1.00 C ATOM 743 CG ASP A 129 14.811 11.499 13.068 1.00 1.00 C ATOM 744 OD1 ASP A 129 15.478 11.543 14.090 1.00 1.00 O ATOM 745 OD2 ASP A 129 14.088 10.565 12.764 1.00 1.00 O ATOM 0 H ASP A 129 15.643 14.579 10.596 1.00 1.00 H new ATOM 0 HA ASP A 129 16.423 13.645 13.276 1.00 1.00 H new ATOM 0 HB2 ASP A 129 14.097 13.408 12.345 1.00 1.00 H new ATOM 0 HB3 ASP A 129 14.722 12.360 11.086 1.00 1.00 H new ATOM 750 N ILE A 130 18.414 12.306 12.535 1.00 1.00 N ATOM 751 CA ILE A 130 19.538 11.399 12.159 1.00 1.00 C ATOM 752 C ILE A 130 19.332 9.998 12.742 1.00 1.00 C ATOM 753 O ILE A 130 19.797 9.024 12.185 1.00 1.00 O ATOM 754 CB ILE A 130 20.847 11.980 12.702 1.00 1.00 C ATOM 755 CG1 ILE A 130 21.122 13.328 12.028 1.00 1.00 C ATOM 756 CG2 ILE A 130 21.999 11.011 12.408 1.00 1.00 C ATOM 757 CD1 ILE A 130 22.317 14.010 12.698 1.00 1.00 C ATOM 0 H ILE A 130 18.562 12.842 13.390 1.00 1.00 H new ATOM 0 HA ILE A 130 19.574 11.320 11.073 1.00 1.00 H new ATOM 0 HB ILE A 130 20.764 12.123 13.779 1.00 1.00 H new ATOM 0 HG12 ILE A 130 21.324 13.180 10.967 1.00 1.00 H new ATOM 0 HG13 ILE A 130 20.241 13.966 12.098 1.00 1.00 H new ATOM 0 HG21 ILE A 130 22.930 11.425 12.795 1.00 1.00 H new ATOM 0 HG22 ILE A 130 21.800 10.053 12.889 1.00 1.00 H new ATOM 0 HG23 ILE A 130 22.086 10.865 11.331 1.00 1.00 H new ATOM 0 HD11 ILE A 130 22.507 14.968 12.214 1.00 1.00 H new ATOM 0 HD12 ILE A 130 22.098 14.174 13.753 1.00 1.00 H new ATOM 0 HD13 ILE A 130 23.198 13.375 12.604 1.00 1.00 H new ATOM 769 N ASP A 131 18.655 9.868 13.855 1.00 1.00 N ATOM 770 CA ASP A 131 18.457 8.505 14.438 1.00 1.00 C ATOM 771 C ASP A 131 17.204 7.868 13.837 1.00 1.00 C ATOM 772 O ASP A 131 16.819 6.772 14.193 1.00 1.00 O ATOM 773 CB ASP A 131 18.304 8.613 15.958 1.00 1.00 C ATOM 774 CG ASP A 131 17.096 9.491 16.294 1.00 1.00 C ATOM 775 OD1 ASP A 131 16.308 9.753 15.401 1.00 1.00 O ATOM 776 OD2 ASP A 131 16.982 9.892 17.441 1.00 1.00 O ATOM 0 H ASP A 131 18.235 10.635 14.380 1.00 1.00 H new ATOM 0 HA ASP A 131 19.322 7.884 14.208 1.00 1.00 H new ATOM 0 HB2 ASP A 131 18.177 7.621 16.392 1.00 1.00 H new ATOM 0 HB3 ASP A 131 19.208 9.038 16.395 1.00 1.00 H new ATOM 781 N GLY A 132 16.571 8.545 12.920 1.00 1.00 N ATOM 782 CA GLY A 132 15.348 7.981 12.282 1.00 1.00 C ATOM 783 C GLY A 132 14.266 7.738 13.338 1.00 1.00 C ATOM 784 O GLY A 132 13.330 6.996 13.113 1.00 1.00 O ATOM 0 H GLY A 132 16.848 9.467 12.584 1.00 1.00 H new ATOM 0 HA2 GLY A 132 14.976 8.667 11.521 1.00 1.00 H new ATOM 0 HA3 GLY A 132 15.590 7.046 11.777 1.00 1.00 H new ATOM 788 N ASP A 133 14.376 8.351 14.486 1.00 1.00 N ATOM 789 CA ASP A 133 13.336 8.134 15.532 1.00 1.00 C ATOM 790 C ASP A 133 12.043 8.835 15.108 1.00 1.00 C ATOM 791 O ASP A 133 10.993 8.625 15.682 1.00 1.00 O ATOM 792 CB ASP A 133 13.820 8.688 16.877 1.00 1.00 C ATOM 793 CG ASP A 133 13.868 10.216 16.822 1.00 1.00 C ATOM 794 OD1 ASP A 133 13.967 10.748 15.728 1.00 1.00 O ATOM 795 OD2 ASP A 133 13.805 10.830 17.875 1.00 1.00 O ATOM 0 H ASP A 133 15.132 8.986 14.743 1.00 1.00 H new ATOM 0 HA ASP A 133 13.149 7.066 15.644 1.00 1.00 H new ATOM 0 HB2 ASP A 133 13.152 8.365 17.675 1.00 1.00 H new ATOM 0 HB3 ASP A 133 14.809 8.292 17.109 1.00 1.00 H new ATOM 800 N GLY A 134 12.112 9.658 14.096 1.00 1.00 N ATOM 801 CA GLY A 134 10.890 10.367 13.615 1.00 1.00 C ATOM 802 C GLY A 134 10.696 11.674 14.388 1.00 1.00 C ATOM 803 O GLY A 134 9.701 12.353 14.229 1.00 1.00 O ATOM 0 H GLY A 134 12.965 9.871 13.580 1.00 1.00 H new ATOM 0 HA2 GLY A 134 10.979 10.577 12.549 1.00 1.00 H new ATOM 0 HA3 GLY A 134 10.016 9.728 13.743 1.00 1.00 H new ATOM 807 N GLN A 135 11.641 12.038 15.218 1.00 1.00 N ATOM 808 CA GLN A 135 11.519 13.310 15.998 1.00 1.00 C ATOM 809 C GLN A 135 12.884 14.001 16.052 1.00 1.00 C ATOM 810 O GLN A 135 13.899 13.396 15.772 1.00 1.00 O ATOM 811 CB GLN A 135 11.047 13.000 17.420 1.00 1.00 C ATOM 812 CG GLN A 135 9.626 12.436 17.377 1.00 1.00 C ATOM 813 CD GLN A 135 9.160 12.120 18.799 1.00 1.00 C ATOM 814 OE1 GLN A 135 9.958 12.059 19.713 1.00 1.00 O ATOM 815 NE2 GLN A 135 7.891 11.914 19.026 1.00 1.00 N ATOM 0 H GLN A 135 12.495 11.508 15.390 1.00 1.00 H new ATOM 0 HA GLN A 135 10.794 13.965 15.514 1.00 1.00 H new ATOM 0 HB2 GLN A 135 11.720 12.282 17.889 1.00 1.00 H new ATOM 0 HB3 GLN A 135 11.072 13.905 18.028 1.00 1.00 H new ATOM 0 HG2 GLN A 135 8.951 13.156 16.913 1.00 1.00 H new ATOM 0 HG3 GLN A 135 9.599 11.534 16.765 1.00 1.00 H new ATOM 0 HE21 GLN A 135 7.221 11.965 18.259 1.00 1.00 H new ATOM 0 HE22 GLN A 135 7.570 11.702 19.971 1.00 1.00 H new ATOM 824 N VAL A 136 12.918 15.265 16.397 1.00 1.00 N ATOM 825 CA VAL A 136 14.219 16.009 16.459 1.00 1.00 C ATOM 826 C VAL A 136 14.543 16.357 17.909 1.00 1.00 C ATOM 827 O VAL A 136 13.772 16.996 18.597 1.00 1.00 O ATOM 828 CB VAL A 136 14.102 17.299 15.638 1.00 1.00 C ATOM 829 CG1 VAL A 136 15.442 18.043 15.646 1.00 1.00 C ATOM 830 CG2 VAL A 136 13.728 16.950 14.193 1.00 1.00 C ATOM 0 H VAL A 136 12.096 15.818 16.640 1.00 1.00 H new ATOM 0 HA VAL A 136 15.015 15.385 16.052 1.00 1.00 H new ATOM 0 HB VAL A 136 13.332 17.935 16.076 1.00 1.00 H new ATOM 0 HG11 VAL A 136 15.353 18.959 15.061 1.00 1.00 H new ATOM 0 HG12 VAL A 136 15.714 18.292 16.672 1.00 1.00 H new ATOM 0 HG13 VAL A 136 16.213 17.408 15.211 1.00 1.00 H new ATOM 0 HG21 VAL A 136 13.644 17.866 13.608 1.00 1.00 H new ATOM 0 HG22 VAL A 136 14.500 16.313 13.761 1.00 1.00 H new ATOM 0 HG23 VAL A 136 12.774 16.423 14.181 1.00 1.00 H new ATOM 840 N ASN A 137 15.696 15.948 18.372 1.00 1.00 N ATOM 841 CA ASN A 137 16.101 16.258 19.774 1.00 1.00 C ATOM 842 C ASN A 137 16.966 17.526 19.765 1.00 1.00 C ATOM 843 O ASN A 137 17.217 18.107 18.728 1.00 1.00 O ATOM 844 CB ASN A 137 16.878 15.059 20.357 1.00 1.00 C ATOM 845 CG ASN A 137 18.359 15.115 19.958 1.00 1.00 C ATOM 846 OD1 ASN A 137 18.713 15.736 18.975 1.00 1.00 O ATOM 847 ND2 ASN A 137 19.242 14.487 20.685 1.00 1.00 N ATOM 0 H ASN A 137 16.377 15.410 17.836 1.00 1.00 H new ATOM 0 HA ASN A 137 15.225 16.433 20.399 1.00 1.00 H new ATOM 0 HB2 ASN A 137 16.790 15.058 21.443 1.00 1.00 H new ATOM 0 HB3 ASN A 137 16.437 14.128 20.001 1.00 1.00 H new ATOM 0 HD21 ASN A 137 20.229 14.517 20.428 1.00 1.00 H new ATOM 0 HD22 ASN A 137 18.946 13.966 21.510 1.00 1.00 H new ATOM 854 N TYR A 138 17.407 17.968 20.908 1.00 1.00 N ATOM 855 CA TYR A 138 18.234 19.207 20.961 1.00 1.00 C ATOM 856 C TYR A 138 19.514 19.045 20.135 1.00 1.00 C ATOM 857 O TYR A 138 19.876 19.927 19.384 1.00 1.00 O ATOM 858 CB TYR A 138 18.604 19.511 22.416 1.00 1.00 C ATOM 859 CG TYR A 138 19.532 20.706 22.463 1.00 1.00 C ATOM 860 CD1 TYR A 138 19.086 21.956 22.016 1.00 1.00 C ATOM 861 CD2 TYR A 138 20.841 20.564 22.946 1.00 1.00 C ATOM 862 CE1 TYR A 138 19.946 23.061 22.053 1.00 1.00 C ATOM 863 CE2 TYR A 138 21.699 21.669 22.982 1.00 1.00 C ATOM 864 CZ TYR A 138 21.251 22.917 22.536 1.00 1.00 C ATOM 0 H TYR A 138 17.231 17.525 21.810 1.00 1.00 H new ATOM 0 HA TYR A 138 17.653 20.029 20.543 1.00 1.00 H new ATOM 0 HB2 TYR A 138 17.704 19.713 22.996 1.00 1.00 H new ATOM 0 HB3 TYR A 138 19.087 18.645 22.868 1.00 1.00 H new ATOM 0 HD1 TYR A 138 18.079 22.068 21.643 1.00 1.00 H new ATOM 0 HD2 TYR A 138 21.187 19.601 23.291 1.00 1.00 H new ATOM 0 HE1 TYR A 138 19.601 24.025 21.708 1.00 1.00 H new ATOM 0 HE2 TYR A 138 22.707 21.558 23.354 1.00 1.00 H new ATOM 873 N GLU A 139 20.214 17.950 20.256 1.00 1.00 N ATOM 874 CA GLU A 139 21.470 17.786 19.465 1.00 1.00 C ATOM 875 C GLU A 139 21.162 17.887 17.969 1.00 1.00 C ATOM 876 O GLU A 139 21.839 18.574 17.227 1.00 1.00 O ATOM 877 CB GLU A 139 22.082 16.414 19.761 1.00 1.00 C ATOM 878 CG GLU A 139 22.127 16.187 21.274 1.00 1.00 C ATOM 879 CD GLU A 139 22.815 14.854 21.568 1.00 1.00 C ATOM 880 OE1 GLU A 139 23.016 14.094 20.635 1.00 1.00 O ATOM 881 OE2 GLU A 139 23.130 14.614 22.722 1.00 1.00 O ATOM 0 H GLU A 139 19.974 17.166 20.863 1.00 1.00 H new ATOM 0 HA GLU A 139 22.172 18.572 19.743 1.00 1.00 H new ATOM 0 HB2 GLU A 139 21.493 15.631 19.283 1.00 1.00 H new ATOM 0 HB3 GLU A 139 23.088 16.356 19.344 1.00 1.00 H new ATOM 0 HG2 GLU A 139 22.665 17.001 21.759 1.00 1.00 H new ATOM 0 HG3 GLU A 139 21.116 16.185 21.683 1.00 1.00 H new ATOM 888 N GLU A 140 20.141 17.212 17.525 1.00 1.00 N ATOM 889 CA GLU A 140 19.778 17.265 16.083 1.00 1.00 C ATOM 890 C GLU A 140 19.306 18.676 15.732 1.00 1.00 C ATOM 891 O GLU A 140 19.574 19.186 14.663 1.00 1.00 O ATOM 892 CB GLU A 140 18.657 16.261 15.819 1.00 1.00 C ATOM 893 CG GLU A 140 19.211 14.843 15.961 1.00 1.00 C ATOM 894 CD GLU A 140 18.101 13.831 15.681 1.00 1.00 C ATOM 895 OE1 GLU A 140 16.980 14.257 15.468 1.00 1.00 O ATOM 896 OE2 GLU A 140 18.388 12.646 15.691 1.00 1.00 O ATOM 0 H GLU A 140 19.539 16.623 18.101 1.00 1.00 H new ATOM 0 HA GLU A 140 20.643 17.015 15.469 1.00 1.00 H new ATOM 0 HB2 GLU A 140 17.839 16.417 16.522 1.00 1.00 H new ATOM 0 HB3 GLU A 140 18.249 16.407 14.819 1.00 1.00 H new ATOM 0 HG2 GLU A 140 20.038 14.693 15.267 1.00 1.00 H new ATOM 0 HG3 GLU A 140 19.607 14.695 16.965 1.00 1.00 H new ATOM 903 N PHE A 141 18.615 19.314 16.635 1.00 1.00 N ATOM 904 CA PHE A 141 18.135 20.698 16.372 1.00 1.00 C ATOM 905 C PHE A 141 19.342 21.620 16.190 1.00 1.00 C ATOM 906 O PHE A 141 19.378 22.441 15.297 1.00 1.00 O ATOM 907 CB PHE A 141 17.289 21.165 17.560 1.00 1.00 C ATOM 908 CG PHE A 141 16.727 22.543 17.279 1.00 1.00 C ATOM 909 CD1 PHE A 141 15.828 22.735 16.221 1.00 1.00 C ATOM 910 CD2 PHE A 141 17.107 23.631 18.078 1.00 1.00 C ATOM 911 CE1 PHE A 141 15.313 24.012 15.964 1.00 1.00 C ATOM 912 CE2 PHE A 141 16.590 24.905 17.820 1.00 1.00 C ATOM 913 CZ PHE A 141 15.694 25.096 16.764 1.00 1.00 C ATOM 0 H PHE A 141 18.361 18.934 17.547 1.00 1.00 H new ATOM 0 HA PHE A 141 17.528 20.722 15.467 1.00 1.00 H new ATOM 0 HB2 PHE A 141 16.477 20.461 17.739 1.00 1.00 H new ATOM 0 HB3 PHE A 141 17.897 21.188 18.465 1.00 1.00 H new ATOM 0 HD1 PHE A 141 15.533 21.899 15.604 1.00 1.00 H new ATOM 0 HD2 PHE A 141 17.800 23.485 18.894 1.00 1.00 H new ATOM 0 HE1 PHE A 141 14.621 24.161 15.148 1.00 1.00 H new ATOM 0 HE2 PHE A 141 16.883 25.742 18.437 1.00 1.00 H new ATOM 0 HZ PHE A 141 15.296 26.080 16.565 1.00 1.00 H new ATOM 923 N VAL A 142 20.338 21.485 17.022 1.00 1.00 N ATOM 924 CA VAL A 142 21.545 22.349 16.886 1.00 1.00 C ATOM 925 C VAL A 142 22.207 22.089 15.533 1.00 1.00 C ATOM 926 O VAL A 142 22.501 23.007 14.795 1.00 1.00 O ATOM 927 CB VAL A 142 22.537 22.025 18.006 1.00 1.00 C ATOM 928 CG1 VAL A 142 23.809 22.855 17.811 1.00 1.00 C ATOM 929 CG2 VAL A 142 21.911 22.360 19.366 1.00 1.00 C ATOM 0 H VAL A 142 20.368 20.814 17.790 1.00 1.00 H new ATOM 0 HA VAL A 142 21.249 23.396 16.954 1.00 1.00 H new ATOM 0 HB VAL A 142 22.783 20.964 17.976 1.00 1.00 H new ATOM 0 HG11 VAL A 142 24.518 22.627 18.607 1.00 1.00 H new ATOM 0 HG12 VAL A 142 24.256 22.614 16.847 1.00 1.00 H new ATOM 0 HG13 VAL A 142 23.559 23.916 17.840 1.00 1.00 H new ATOM 0 HG21 VAL A 142 22.621 22.128 20.160 1.00 1.00 H new ATOM 0 HG22 VAL A 142 21.662 23.421 19.401 1.00 1.00 H new ATOM 0 HG23 VAL A 142 21.005 21.770 19.505 1.00 1.00 H new ATOM 939 N GLN A 143 22.464 20.854 15.200 1.00 1.00 N ATOM 940 CA GLN A 143 23.130 20.569 13.895 1.00 1.00 C ATOM 941 C GLN A 143 22.276 21.106 12.742 1.00 1.00 C ATOM 942 O GLN A 143 22.783 21.680 11.799 1.00 1.00 O ATOM 943 CB GLN A 143 23.318 19.059 13.735 1.00 1.00 C ATOM 944 CG GLN A 143 24.137 18.773 12.474 1.00 1.00 C ATOM 945 CD GLN A 143 24.299 17.261 12.305 1.00 1.00 C ATOM 946 OE1 GLN A 143 23.996 16.502 13.204 1.00 1.00 O ATOM 947 NE2 GLN A 143 24.768 16.789 11.182 1.00 1.00 N ATOM 0 H GLN A 143 22.245 20.036 15.768 1.00 1.00 H new ATOM 0 HA GLN A 143 24.103 21.061 13.876 1.00 1.00 H new ATOM 0 HB2 GLN A 143 23.824 18.651 14.610 1.00 1.00 H new ATOM 0 HB3 GLN A 143 22.348 18.567 13.670 1.00 1.00 H new ATOM 0 HG2 GLN A 143 23.641 19.196 11.601 1.00 1.00 H new ATOM 0 HG3 GLN A 143 25.115 19.249 12.547 1.00 1.00 H new ATOM 0 HE21 GLN A 143 25.022 17.427 10.427 1.00 1.00 H new ATOM 0 HE22 GLN A 143 24.880 15.783 11.059 1.00 1.00 H new ATOM 956 N MET A 144 20.990 20.912 12.802 1.00 1.00 N ATOM 957 CA MET A 144 20.107 21.396 11.701 1.00 1.00 C ATOM 958 C MET A 144 20.120 22.926 11.637 1.00 1.00 C ATOM 959 O MET A 144 20.035 23.511 10.576 1.00 1.00 O ATOM 960 CB MET A 144 18.673 20.920 11.965 1.00 1.00 C ATOM 961 CG MET A 144 17.710 21.536 10.939 1.00 1.00 C ATOM 962 SD MET A 144 17.183 23.171 11.510 1.00 1.00 S ATOM 963 CE MET A 144 15.529 23.150 10.776 1.00 1.00 C ATOM 0 H MET A 144 20.509 20.438 13.567 1.00 1.00 H new ATOM 0 HA MET A 144 20.472 20.999 10.754 1.00 1.00 H new ATOM 0 HB2 MET A 144 18.627 19.832 11.909 1.00 1.00 H new ATOM 0 HB3 MET A 144 18.369 21.201 12.973 1.00 1.00 H new ATOM 0 HG2 MET A 144 18.200 21.619 9.969 1.00 1.00 H new ATOM 0 HG3 MET A 144 16.843 20.889 10.804 1.00 1.00 H new ATOM 0 HE1 MET A 144 15.016 24.083 11.009 1.00 1.00 H new ATOM 0 HE2 MET A 144 15.612 23.042 9.695 1.00 1.00 H new ATOM 0 HE3 MET A 144 14.961 22.313 11.182 1.00 1.00 H new ATOM 973 N MET A 145 20.207 23.580 12.763 1.00 1.00 N ATOM 974 CA MET A 145 20.203 25.075 12.773 1.00 1.00 C ATOM 975 C MET A 145 21.639 25.614 12.739 1.00 1.00 C ATOM 976 O MET A 145 21.892 26.711 12.284 1.00 1.00 O ATOM 977 CB MET A 145 19.521 25.567 14.055 1.00 1.00 C ATOM 978 CG MET A 145 18.125 24.941 14.176 1.00 1.00 C ATOM 979 SD MET A 145 16.978 25.780 13.049 1.00 1.00 S ATOM 980 CE MET A 145 16.930 27.388 13.882 1.00 1.00 C ATOM 0 H MET A 145 20.281 23.143 13.682 1.00 1.00 H new ATOM 0 HA MET A 145 19.666 25.432 11.894 1.00 1.00 H new ATOM 0 HB2 MET A 145 20.125 25.302 14.923 1.00 1.00 H new ATOM 0 HB3 MET A 145 19.442 26.654 14.041 1.00 1.00 H new ATOM 0 HG2 MET A 145 18.171 23.878 13.939 1.00 1.00 H new ATOM 0 HG3 MET A 145 17.767 25.023 15.202 1.00 1.00 H new ATOM 0 HE1 MET A 145 15.952 27.846 13.732 1.00 1.00 H new ATOM 0 HE2 MET A 145 17.107 27.251 14.949 1.00 1.00 H new ATOM 0 HE3 MET A 145 17.702 28.036 13.467 1.00 1.00 H new ATOM 990 N THR A 146 22.578 24.827 13.207 1.00 1.00 N ATOM 991 CA THR A 146 24.017 25.253 13.202 1.00 1.00 C ATOM 992 C THR A 146 24.796 24.353 12.240 1.00 1.00 C ATOM 993 O THR A 146 25.990 24.172 12.379 1.00 1.00 O ATOM 994 CB THR A 146 24.598 25.107 14.610 1.00 1.00 C ATOM 995 OG1 THR A 146 24.749 23.729 14.918 1.00 1.00 O ATOM 996 CG2 THR A 146 23.657 25.759 15.621 1.00 1.00 C ATOM 0 H THR A 146 22.409 23.899 13.596 1.00 1.00 H new ATOM 0 HA THR A 146 24.092 26.293 12.885 1.00 1.00 H new ATOM 0 HB THR A 146 25.571 25.597 14.655 1.00 1.00 H new ATOM 0 HG1 THR A 146 24.020 23.220 14.505 1.00 1.00 H new ATOM 0 HG21 THR A 146 24.071 25.655 16.624 1.00 1.00 H new ATOM 0 HG22 THR A 146 23.544 26.817 15.383 1.00 1.00 H new ATOM 0 HG23 THR A 146 22.683 25.272 15.578 1.00 1.00 H new ATOM 1004 N ALA A 147 24.139 23.789 11.265 1.00 1.00 N ATOM 1005 CA ALA A 147 24.856 22.907 10.301 1.00 1.00 C ATOM 1006 C ALA A 147 26.072 23.651 9.745 1.00 1.00 C ATOM 1007 O ALA A 147 26.015 24.833 9.467 1.00 1.00 O ATOM 1008 CB ALA A 147 23.916 22.536 9.151 1.00 1.00 C ATOM 0 H ALA A 147 23.140 23.900 11.094 1.00 1.00 H new ATOM 0 HA ALA A 147 25.182 21.999 10.809 1.00 1.00 H new ATOM 0 HB1 ALA A 147 24.440 21.891 8.446 1.00 1.00 H new ATOM 0 HB2 ALA A 147 23.047 22.010 9.547 1.00 1.00 H new ATOM 0 HB3 ALA A 147 23.590 23.442 8.640 1.00 1.00 H new ATOM 1014 N LYS A 148 27.174 22.971 9.580 1.00 1.00 N ATOM 1015 CA LYS A 148 28.391 23.642 9.043 1.00 1.00 C ATOM 1016 C LYS A 148 28.649 24.932 9.824 1.00 1.00 C ATOM 1017 CB LYS A 148 28.179 23.974 7.565 1.00 1.00 C ATOM 1018 CG LYS A 148 28.029 22.677 6.766 1.00 1.00 C ATOM 1019 CD LYS A 148 27.933 23.005 5.275 1.00 1.00 C ATOM 1020 CE LYS A 148 27.672 21.721 4.486 1.00 1.00 C ATOM 1021 NZ LYS A 148 26.484 21.022 5.053 1.00 1.00 N ATOM 0 H LYS A 148 27.284 21.980 9.794 1.00 1.00 H new ATOM 0 HA LYS A 148 29.249 22.977 9.147 1.00 1.00 H new ATOM 0 HB2 LYS A 148 27.290 24.593 7.444 1.00 1.00 H new ATOM 0 HB3 LYS A 148 29.023 24.551 7.186 1.00 1.00 H new ATOM 0 HG2 LYS A 148 28.881 22.023 6.951 1.00 1.00 H new ATOM 0 HG3 LYS A 148 27.138 22.139 7.089 1.00 1.00 H new ATOM 0 HD2 LYS A 148 27.130 23.721 5.100 1.00 1.00 H new ATOM 0 HD3 LYS A 148 28.857 23.472 4.934 1.00 1.00 H new ATOM 0 HE2 LYS A 148 27.502 21.955 3.435 1.00 1.00 H new ATOM 0 HE3 LYS A 148 28.545 21.070 4.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 148 26.091 20.373 4.342 1.00 1.00 H new ATOM 0 HZ2 LYS A 148 26.768 20.481 5.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 148 25.763 21.723 5.319 1.00 1.00 H new TER 1035 LYS A 148 HETATM 1036 CA CA A1000 7.898 18.404 22.587 1.00 1.00 CA HETATM 1037 CA CA A1001 15.997 12.122 16.561 1.00 1.00 CA