USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 663 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 20 THR OG1 : rot 36:sc= 0.508 USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -1.43 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0.0037) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 49 THR OG1 : rot 36:sc= 0.0912 USER MOD Single : A 50 GLN : amide:sc= -0.0262 K(o=-0.026,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -18:sc= -2.94! USER MOD Single : A 61 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.6) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.137 F(o=-0.8,f=-0.14) USER MOD Single : A 69 SER OG : rot -59:sc= 0.501 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.29 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 97:sc= 0.795 USER MOD Single : A 73 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.8!) USER MOD Single : A 79 MET CE :methyl -177:sc= 0 (180deg=-0.00824) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 83 SER OG : rot 6:sc= 1.15 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 42:sc= 0.0245 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 178:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.637 -5.142 -3.526 1.00 0.00 N ATOM 86 CA GLU A 9 14.505 -5.977 -3.141 1.00 0.00 C ATOM 87 C GLU A 9 13.283 -5.121 -2.818 1.00 0.00 C ATOM 88 O GLU A 9 13.405 -4.031 -2.260 1.00 0.00 O ATOM 89 CB GLU A 9 14.869 -6.842 -1.932 1.00 0.00 C ATOM 90 CG GLU A 9 15.932 -7.885 -2.229 1.00 0.00 C ATOM 91 CD GLU A 9 15.810 -9.111 -1.345 1.00 0.00 C ATOM 92 OE1 GLU A 9 16.095 -9.002 -0.134 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.427 -10.181 -1.865 1.00 0.00 O ATOM 0 HA GLU A 9 14.261 -6.625 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.220 -6.197 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.971 -7.343 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.858 -8.186 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.918 -7.441 -2.094 1.00 0.00 H new ATOM 100 N ALA A 10 12.105 -5.623 -3.175 1.00 0.00 N ATOM 101 CA ALA A 10 10.861 -4.907 -2.923 1.00 0.00 C ATOM 102 C ALA A 10 10.351 -5.173 -1.511 1.00 0.00 C ATOM 103 O ALA A 10 10.790 -6.101 -0.831 1.00 0.00 O ATOM 104 CB ALA A 10 9.809 -5.299 -3.949 1.00 0.00 C ATOM 0 H ALA A 10 11.987 -6.523 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 10 11.061 -3.839 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.885 -4.756 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.166 -5.051 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.621 -6.371 -3.886 1.00 0.00 H new ATOM 110 N PRO A 11 9.402 -4.341 -1.057 1.00 0.00 N ATOM 111 CA PRO A 11 8.812 -4.466 0.279 1.00 0.00 C ATOM 112 C PRO A 11 7.928 -5.702 0.408 1.00 0.00 C ATOM 113 O PRO A 11 7.332 -6.155 -0.569 1.00 0.00 O ATOM 114 CB PRO A 11 7.975 -3.192 0.418 1.00 0.00 C ATOM 115 CG PRO A 11 7.651 -2.797 -0.981 1.00 0.00 C ATOM 116 CD PRO A 11 8.833 -3.213 -1.813 1.00 0.00 C ATOM 0 HA PRO A 11 9.572 -4.578 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.070 -3.374 0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.530 -2.408 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.740 -3.288 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.481 -1.723 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.532 -3.513 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.551 -2.401 -1.925 1.00 0.00 H new ATOM 124 N ARG A 12 7.846 -6.241 1.620 1.00 0.00 N ATOM 125 CA ARG A 12 7.035 -7.425 1.876 1.00 0.00 C ATOM 126 C ARG A 12 6.259 -7.280 3.182 1.00 0.00 C ATOM 127 O ARG A 12 6.436 -6.308 3.916 1.00 0.00 O ATOM 128 CB ARG A 12 7.918 -8.673 1.931 1.00 0.00 C ATOM 129 CG ARG A 12 8.647 -8.845 3.254 1.00 0.00 C ATOM 130 CD ARG A 12 9.735 -9.904 3.156 1.00 0.00 C ATOM 131 NE ARG A 12 9.208 -11.250 3.360 1.00 0.00 N ATOM 132 CZ ARG A 12 8.654 -11.977 2.396 1.00 0.00 C ATOM 133 NH1 ARG A 12 8.556 -11.489 1.167 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.197 -13.194 2.659 1.00 0.00 N ATOM 0 H ARG A 12 8.331 -5.877 2.440 1.00 0.00 H new ATOM 0 HA ARG A 12 6.322 -7.529 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.301 -9.553 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.651 -8.625 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.088 -7.895 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.934 -9.124 4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.211 -9.845 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.507 -9.701 3.898 1.00 0.00 H new ATOM 0 HE ARG A 12 9.268 -11.655 4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.906 -10.554 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.130 -12.049 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.271 -13.573 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.772 -13.750 1.917 1.00 0.00 H new ATOM 148 N ASP A 13 5.400 -8.253 3.465 1.00 0.00 N ATOM 149 CA ASP A 13 4.597 -8.234 4.682 1.00 0.00 C ATOM 150 C ASP A 13 3.595 -7.084 4.655 1.00 0.00 C ATOM 151 O ASP A 13 3.184 -6.580 5.701 1.00 0.00 O ATOM 152 CB ASP A 13 5.499 -8.113 5.911 1.00 0.00 C ATOM 153 CG ASP A 13 4.904 -8.782 7.135 1.00 0.00 C ATOM 154 OD1 ASP A 13 3.703 -8.568 7.403 1.00 0.00 O ATOM 155 OD2 ASP A 13 5.639 -9.521 7.822 1.00 0.00 O ATOM 0 H ASP A 13 5.242 -9.065 2.868 1.00 0.00 H new ATOM 0 HA ASP A 13 4.044 -9.172 4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.469 -8.560 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.675 -7.059 6.126 1.00 0.00 H new ATOM 160 N LEU A 14 3.207 -6.674 3.453 1.00 0.00 N ATOM 161 CA LEU A 14 2.253 -5.582 3.289 1.00 0.00 C ATOM 162 C LEU A 14 0.837 -6.040 3.624 1.00 0.00 C ATOM 163 O LEU A 14 0.287 -6.919 2.961 1.00 0.00 O ATOM 164 CB LEU A 14 2.303 -5.046 1.857 1.00 0.00 C ATOM 165 CG LEU A 14 1.216 -4.039 1.479 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.664 -2.623 1.803 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.862 -4.164 0.004 1.00 0.00 C ATOM 0 H LEU A 14 3.538 -7.080 2.578 1.00 0.00 H new ATOM 0 HA LEU A 14 2.529 -4.785 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.275 -4.578 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.241 -5.891 1.172 1.00 0.00 H new ATOM 0 HG LEU A 14 0.324 -4.259 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.878 -1.920 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.866 -2.541 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.570 -2.391 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.087 -3.440 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.748 -3.971 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.497 -5.171 -0.198 1.00 0.00 H new ATOM 179 N GLU A 15 0.254 -5.437 4.654 1.00 0.00 N ATOM 180 CA GLU A 15 -1.099 -5.783 5.076 1.00 0.00 C ATOM 181 C GLU A 15 -1.815 -4.568 5.657 1.00 0.00 C ATOM 182 O GLU A 15 -1.200 -3.724 6.309 1.00 0.00 O ATOM 183 CB GLU A 15 -1.062 -6.910 6.110 1.00 0.00 C ATOM 184 CG GLU A 15 -2.438 -7.338 6.593 1.00 0.00 C ATOM 185 CD GLU A 15 -3.379 -7.672 5.452 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.893 -8.127 4.395 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.602 -7.478 5.616 1.00 0.00 O ATOM 0 H GLU A 15 0.696 -4.707 5.212 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.650 -6.123 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.554 -7.772 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.470 -6.587 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.337 -8.208 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.872 -6.540 7.195 1.00 0.00 H new ATOM 194 N ALA A 16 -3.120 -4.486 5.415 1.00 0.00 N ATOM 195 CA ALA A 16 -3.921 -3.375 5.915 1.00 0.00 C ATOM 196 C ALA A 16 -4.217 -3.538 7.402 1.00 0.00 C ATOM 197 O ALA A 16 -4.822 -4.526 7.821 1.00 0.00 O ATOM 198 CB ALA A 16 -5.217 -3.262 5.126 1.00 0.00 C ATOM 0 H ALA A 16 -3.644 -5.175 4.876 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.348 -2.457 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.805 -2.429 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.989 -3.091 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.787 -4.186 5.228 1.00 0.00 H new ATOM 204 N LYS A 17 -3.788 -2.563 8.196 1.00 0.00 N ATOM 205 CA LYS A 17 -4.007 -2.597 9.637 1.00 0.00 C ATOM 206 C LYS A 17 -4.851 -1.409 10.087 1.00 0.00 C ATOM 207 O LYS A 17 -4.890 -0.376 9.419 1.00 0.00 O ATOM 208 CB LYS A 17 -2.668 -2.595 10.378 1.00 0.00 C ATOM 209 CG LYS A 17 -1.801 -3.804 10.071 1.00 0.00 C ATOM 210 CD LYS A 17 -0.649 -3.928 11.054 1.00 0.00 C ATOM 211 CE LYS A 17 -0.121 -5.353 11.116 1.00 0.00 C ATOM 212 NZ LYS A 17 0.795 -5.555 12.273 1.00 0.00 N ATOM 0 H LYS A 17 -3.286 -1.739 7.865 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.545 -3.514 9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.120 -1.690 10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.856 -2.556 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.410 -4.708 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.408 -3.723 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.155 -3.253 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.980 -3.618 12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.958 -6.048 11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.406 -5.586 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.133 -6.538 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.607 -4.910 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.285 -5.358 13.158 1.00 0.00 H new ATOM 226 N GLU A 18 -5.523 -1.563 11.224 1.00 0.00 N ATOM 227 CA GLU A 18 -6.365 -0.501 11.762 1.00 0.00 C ATOM 228 C GLU A 18 -7.307 0.042 10.691 1.00 0.00 C ATOM 229 O GLU A 18 -7.405 1.253 10.491 1.00 0.00 O ATOM 230 CB GLU A 18 -5.501 0.632 12.320 1.00 0.00 C ATOM 231 CG GLU A 18 -4.321 0.148 13.145 1.00 0.00 C ATOM 232 CD GLU A 18 -4.671 -0.048 14.607 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.699 0.507 15.049 1.00 0.00 O ATOM 234 OE2 GLU A 18 -3.919 -0.755 15.308 1.00 0.00 O ATOM 0 H GLU A 18 -5.501 -2.412 11.789 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.965 -0.922 12.569 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.131 1.237 11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.122 1.282 12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.957 -0.793 12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.506 0.868 13.064 1.00 0.00 H new ATOM 241 N VAL A 19 -7.998 -0.862 10.005 1.00 0.00 N ATOM 242 CA VAL A 19 -8.932 -0.475 8.955 1.00 0.00 C ATOM 243 C VAL A 19 -10.248 0.021 9.545 1.00 0.00 C ATOM 244 O VAL A 19 -10.809 -0.600 10.448 1.00 0.00 O ATOM 245 CB VAL A 19 -9.221 -1.649 8.000 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.172 -1.216 6.894 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.925 -2.192 7.417 1.00 0.00 C ATOM 0 H VAL A 19 -7.929 -1.868 10.158 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.461 0.333 8.395 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.700 -2.447 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.365 -2.058 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.111 -0.878 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.723 -0.401 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.148 -3.021 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.416 -1.403 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.282 -2.542 8.224 1.00 0.00 H new ATOM 257 N THR A 20 -10.736 1.144 9.028 1.00 0.00 N ATOM 258 CA THR A 20 -11.985 1.724 9.503 1.00 0.00 C ATOM 259 C THR A 20 -12.692 2.493 8.393 1.00 0.00 C ATOM 260 O THR A 20 -12.085 2.899 7.402 1.00 0.00 O ATOM 261 CB THR A 20 -11.747 2.671 10.695 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.459 3.287 10.582 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.839 1.915 12.012 1.00 0.00 C ATOM 0 H THR A 20 -10.285 1.670 8.280 1.00 0.00 H new ATOM 0 HA THR A 20 -12.615 0.895 9.826 1.00 0.00 H new ATOM 0 HB THR A 20 -12.519 3.440 10.680 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.261 3.461 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.668 2.603 12.839 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.830 1.471 12.108 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.085 1.128 12.033 1.00 0.00 H new ATOM 271 N PRO A 21 -14.007 2.699 8.559 1.00 0.00 N ATOM 272 CA PRO A 21 -14.825 3.421 7.581 1.00 0.00 C ATOM 273 C PRO A 21 -14.497 4.910 7.537 1.00 0.00 C ATOM 274 O PRO A 21 -15.118 5.670 6.794 1.00 0.00 O ATOM 275 CB PRO A 21 -16.254 3.203 8.083 1.00 0.00 C ATOM 276 CG PRO A 21 -16.109 2.957 9.545 1.00 0.00 C ATOM 277 CD PRO A 21 -14.796 2.243 9.716 1.00 0.00 C ATOM 0 HA PRO A 21 -14.656 3.063 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.879 4.074 7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.724 2.356 7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.119 3.894 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.934 2.353 9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.316 2.505 10.659 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.924 1.161 9.714 1.00 0.00 H new ATOM 285 N ARG A 22 -13.519 5.319 8.338 1.00 0.00 N ATOM 286 CA ARG A 22 -13.110 6.718 8.391 1.00 0.00 C ATOM 287 C ARG A 22 -11.694 6.891 7.849 1.00 0.00 C ATOM 288 O ARG A 22 -11.368 7.916 7.249 1.00 0.00 O ATOM 289 CB ARG A 22 -13.185 7.239 9.828 1.00 0.00 C ATOM 290 CG ARG A 22 -14.595 7.266 10.393 1.00 0.00 C ATOM 291 CD ARG A 22 -14.704 8.220 11.573 1.00 0.00 C ATOM 292 NE ARG A 22 -16.085 8.625 11.823 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.436 9.497 12.762 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.513 10.052 13.534 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.713 9.815 12.929 1.00 0.00 N ATOM 0 H ARG A 22 -12.995 4.702 8.959 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.793 7.294 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.559 6.614 10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.770 8.246 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.295 7.568 9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.882 6.262 10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.299 7.741 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.096 9.104 11.382 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.820 8.216 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.530 9.810 13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.785 10.721 14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.426 9.390 12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.982 10.484 13.650 1.00 0.00 H new ATOM 309 N THR A 23 -10.856 5.882 8.064 1.00 0.00 N ATOM 310 CA THR A 23 -9.475 5.923 7.599 1.00 0.00 C ATOM 311 C THR A 23 -8.894 4.519 7.477 1.00 0.00 C ATOM 312 O THR A 23 -9.568 3.531 7.768 1.00 0.00 O ATOM 313 CB THR A 23 -8.588 6.753 8.546 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.784 6.328 9.899 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.905 8.235 8.424 1.00 0.00 C ATOM 0 H THR A 23 -11.110 5.026 8.557 1.00 0.00 H new ATOM 0 HA THR A 23 -9.486 6.395 6.617 1.00 0.00 H new ATOM 0 HB THR A 23 -7.547 6.596 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.215 6.859 10.494 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.266 8.801 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.726 8.562 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.950 8.406 8.683 1.00 0.00 H new ATOM 323 N ALA A 24 -7.640 4.438 7.046 1.00 0.00 N ATOM 324 CA ALA A 24 -6.968 3.154 6.888 1.00 0.00 C ATOM 325 C ALA A 24 -5.453 3.315 6.962 1.00 0.00 C ATOM 326 O ALA A 24 -4.898 4.296 6.468 1.00 0.00 O ATOM 327 CB ALA A 24 -7.368 2.507 5.571 1.00 0.00 C ATOM 0 H ALA A 24 -7.069 5.246 6.800 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.279 2.506 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.859 1.549 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.446 2.348 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.086 3.160 4.745 1.00 0.00 H new ATOM 333 N LEU A 25 -4.790 2.346 7.584 1.00 0.00 N ATOM 334 CA LEU A 25 -3.338 2.380 7.723 1.00 0.00 C ATOM 335 C LEU A 25 -2.700 1.151 7.083 1.00 0.00 C ATOM 336 O LEU A 25 -3.206 0.036 7.215 1.00 0.00 O ATOM 337 CB LEU A 25 -2.950 2.459 9.201 1.00 0.00 C ATOM 338 CG LEU A 25 -1.487 2.156 9.527 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.637 3.409 9.384 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.362 1.582 10.931 1.00 0.00 C ATOM 0 H LEU A 25 -5.234 1.528 8.000 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.969 3.267 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.183 3.460 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.577 1.764 9.759 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.123 1.413 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.401 3.174 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.702 3.778 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.000 4.175 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.314 1.372 11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.744 2.303 11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.938 0.659 11.000 1.00 0.00 H new ATOM 352 N LEU A 26 -1.586 1.362 6.391 1.00 0.00 N ATOM 353 CA LEU A 26 -0.877 0.271 5.732 1.00 0.00 C ATOM 354 C LEU A 26 0.562 0.178 6.229 1.00 0.00 C ATOM 355 O LEU A 26 1.293 1.169 6.240 1.00 0.00 O ATOM 356 CB LEU A 26 -0.892 0.470 4.215 1.00 0.00 C ATOM 357 CG LEU A 26 -2.069 -0.158 3.468 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.389 0.638 2.212 1.00 0.00 C ATOM 359 CD2 LEU A 26 -1.769 -1.608 3.120 1.00 0.00 C ATOM 0 H LEU A 26 -1.154 2.278 6.272 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.387 -0.661 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.886 1.540 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.032 0.061 3.806 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.942 -0.136 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.229 0.177 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.649 1.661 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.519 0.648 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.618 -2.038 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.883 -1.654 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.590 -2.172 4.035 1.00 0.00 H new ATOM 371 N THR A 27 0.964 -1.021 6.640 1.00 0.00 N ATOM 372 CA THR A 27 2.316 -1.245 7.138 1.00 0.00 C ATOM 373 C THR A 27 3.064 -2.246 6.266 1.00 0.00 C ATOM 374 O THR A 27 2.508 -3.268 5.861 1.00 0.00 O ATOM 375 CB THR A 27 2.301 -1.756 8.591 1.00 0.00 C ATOM 376 OG1 THR A 27 1.763 -3.082 8.639 1.00 0.00 O ATOM 377 CG2 THR A 27 1.478 -0.836 9.480 1.00 0.00 C ATOM 0 H THR A 27 0.372 -1.852 6.638 1.00 0.00 H new ATOM 0 HA THR A 27 2.829 -0.284 7.104 1.00 0.00 H new ATOM 0 HB THR A 27 3.327 -1.768 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.041 -3.518 9.471 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.482 -1.217 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.908 0.165 9.465 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.453 -0.796 9.112 1.00 0.00 H new ATOM 385 N TRP A 28 4.326 -1.948 5.981 1.00 0.00 N ATOM 386 CA TRP A 28 5.151 -2.825 5.157 1.00 0.00 C ATOM 387 C TRP A 28 6.528 -3.023 5.782 1.00 0.00 C ATOM 388 O TRP A 28 7.014 -2.167 6.522 1.00 0.00 O ATOM 389 CB TRP A 28 5.296 -2.247 3.749 1.00 0.00 C ATOM 390 CG TRP A 28 6.092 -0.977 3.706 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.450 -0.864 3.627 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.578 0.358 3.743 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.812 0.461 3.612 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.681 1.231 3.681 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.292 0.902 3.819 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.536 2.616 3.695 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.150 2.276 3.833 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.267 3.121 3.771 1.00 0.00 C ATOM 0 H TRP A 28 4.801 -1.106 6.308 1.00 0.00 H new ATOM 0 HA TRP A 28 4.657 -3.795 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.773 -2.988 3.107 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.304 -2.060 3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.139 -1.695 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.767 0.814 3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.425 0.259 3.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.395 3.268 3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.161 2.707 3.893 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.123 4.191 3.783 1.00 0.00 H new ATOM 409 N THR A 29 7.152 -4.157 5.481 1.00 0.00 N ATOM 410 CA THR A 29 8.472 -4.468 6.014 1.00 0.00 C ATOM 411 C THR A 29 9.566 -3.765 5.218 1.00 0.00 C ATOM 412 O THR A 29 9.603 -3.847 3.991 1.00 0.00 O ATOM 413 CB THR A 29 8.740 -5.985 6.003 1.00 0.00 C ATOM 414 OG1 THR A 29 7.766 -6.660 6.808 1.00 0.00 O ATOM 415 CG2 THR A 29 10.136 -6.292 6.524 1.00 0.00 C ATOM 0 H THR A 29 6.764 -4.876 4.870 1.00 0.00 H new ATOM 0 HA THR A 29 8.489 -4.111 7.044 1.00 0.00 H new ATOM 0 HB THR A 29 8.668 -6.337 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.031 -7.596 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.302 -7.369 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.876 -5.801 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.231 -5.927 7.546 1.00 0.00 H new ATOM 423 N GLU A 30 10.456 -3.076 5.925 1.00 0.00 N ATOM 424 CA GLU A 30 11.551 -2.359 5.283 1.00 0.00 C ATOM 425 C GLU A 30 12.529 -3.331 4.629 1.00 0.00 C ATOM 426 O GLU A 30 13.047 -4.250 5.263 1.00 0.00 O ATOM 427 CB GLU A 30 12.287 -1.487 6.302 1.00 0.00 C ATOM 428 CG GLU A 30 12.740 -0.148 5.744 1.00 0.00 C ATOM 429 CD GLU A 30 13.977 0.385 6.439 1.00 0.00 C ATOM 430 OE1 GLU A 30 13.877 0.762 7.626 1.00 0.00 O ATOM 431 OE2 GLU A 30 15.047 0.426 5.796 1.00 0.00 O ATOM 0 H GLU A 30 10.440 -2.999 6.942 1.00 0.00 H new ATOM 0 HA GLU A 30 11.127 -1.720 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.634 -1.312 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.157 -2.030 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.943 -0.253 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.931 0.576 5.845 1.00 0.00 H new ATOM 438 N PRO A 31 12.787 -3.125 3.329 1.00 0.00 N ATOM 439 CA PRO A 31 13.703 -3.972 2.560 1.00 0.00 C ATOM 440 C PRO A 31 15.157 -3.784 2.980 1.00 0.00 C ATOM 441 O PRO A 31 15.499 -2.865 3.725 1.00 0.00 O ATOM 442 CB PRO A 31 13.497 -3.501 1.118 1.00 0.00 C ATOM 443 CG PRO A 31 13.016 -2.096 1.244 1.00 0.00 C ATOM 444 CD PRO A 31 12.205 -2.049 2.510 1.00 0.00 C ATOM 0 HA PRO A 31 13.499 -5.032 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.425 -3.552 0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.769 -4.124 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.853 -1.399 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.412 -1.811 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.286 -1.080 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.146 -2.220 2.315 1.00 0.00 H new ATOM 452 N PRO A 32 16.035 -4.672 2.491 1.00 0.00 N ATOM 453 CA PRO A 32 17.467 -4.623 2.801 1.00 0.00 C ATOM 454 C PRO A 32 18.161 -3.432 2.150 1.00 0.00 C ATOM 455 O PRO A 32 19.374 -3.261 2.277 1.00 0.00 O ATOM 456 CB PRO A 32 18.001 -5.935 2.221 1.00 0.00 C ATOM 457 CG PRO A 32 17.041 -6.289 1.138 1.00 0.00 C ATOM 458 CD PRO A 32 15.698 -5.792 1.597 1.00 0.00 C ATOM 0 HA PRO A 32 17.648 -4.508 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.011 -5.813 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.045 -6.715 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.328 -5.824 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.022 -7.366 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.083 -5.466 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.139 -6.569 2.119 1.00 0.00 H new ATOM 466 N VAL A 33 17.384 -2.609 1.453 1.00 0.00 N ATOM 467 CA VAL A 33 17.924 -1.432 0.782 1.00 0.00 C ATOM 468 C VAL A 33 17.109 -0.187 1.115 1.00 0.00 C ATOM 469 O VAL A 33 15.893 -0.259 1.292 1.00 0.00 O ATOM 470 CB VAL A 33 17.953 -1.620 -0.746 1.00 0.00 C ATOM 471 CG1 VAL A 33 18.519 -0.383 -1.426 1.00 0.00 C ATOM 472 CG2 VAL A 33 18.758 -2.857 -1.115 1.00 0.00 C ATOM 0 H VAL A 33 16.378 -2.736 1.338 1.00 0.00 H new ATOM 0 HA VAL A 33 18.944 -1.302 1.143 1.00 0.00 H new ATOM 0 HB VAL A 33 16.931 -1.762 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.532 -0.535 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.897 0.480 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.535 -0.206 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.768 -2.975 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.780 -2.748 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.303 -3.736 -0.659 1.00 0.00 H new ATOM 482 N ARG A 34 17.787 0.953 1.199 1.00 0.00 N ATOM 483 CA ARG A 34 17.125 2.214 1.511 1.00 0.00 C ATOM 484 C ARG A 34 16.811 2.993 0.238 1.00 0.00 C ATOM 485 O ARG A 34 17.689 3.586 -0.389 1.00 0.00 O ATOM 486 CB ARG A 34 18.003 3.059 2.436 1.00 0.00 C ATOM 487 CG ARG A 34 17.276 4.244 3.050 1.00 0.00 C ATOM 488 CD ARG A 34 16.598 3.864 4.357 1.00 0.00 C ATOM 489 NE ARG A 34 16.050 5.028 5.049 1.00 0.00 N ATOM 490 CZ ARG A 34 15.660 5.013 6.318 1.00 0.00 C ATOM 491 NH1 ARG A 34 15.757 3.900 7.032 1.00 0.00 N ATOM 492 NH2 ARG A 34 15.172 6.113 6.877 1.00 0.00 N ATOM 0 H ARG A 34 18.794 1.029 1.055 1.00 0.00 H new ATOM 0 HA ARG A 34 16.187 1.988 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.389 2.426 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.863 3.423 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.983 5.054 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.531 4.619 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.798 3.152 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.316 3.362 5.005 1.00 0.00 H new ATOM 0 HE ARG A 34 15.962 5.901 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.132 3.052 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.457 3.892 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.096 6.972 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.873 6.100 7.852 1.00 0.00 H new ATOM 506 N PRO A 35 15.529 2.992 -0.156 1.00 0.00 N ATOM 507 CA PRO A 35 15.069 3.694 -1.358 1.00 0.00 C ATOM 508 C PRO A 35 15.121 5.210 -1.200 1.00 0.00 C ATOM 509 O PRO A 35 15.218 5.724 -0.086 1.00 0.00 O ATOM 510 CB PRO A 35 13.620 3.223 -1.511 1.00 0.00 C ATOM 511 CG PRO A 35 13.198 2.842 -0.135 1.00 0.00 C ATOM 512 CD PRO A 35 14.429 2.306 0.543 1.00 0.00 C ATOM 0 HA PRO A 35 15.697 3.476 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.987 4.014 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.549 2.378 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.800 3.702 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.409 2.090 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.430 2.529 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.503 1.223 0.444 1.00 0.00 H new ATOM 520 N ALA A 36 15.057 5.920 -2.321 1.00 0.00 N ATOM 521 CA ALA A 36 15.095 7.377 -2.306 1.00 0.00 C ATOM 522 C ALA A 36 13.735 7.958 -1.933 1.00 0.00 C ATOM 523 O ALA A 36 13.651 8.998 -1.282 1.00 0.00 O ATOM 524 CB ALA A 36 15.544 7.907 -3.660 1.00 0.00 C ATOM 0 H ALA A 36 14.979 5.510 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 36 15.814 7.689 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.568 8.996 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.540 7.527 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.846 7.577 -4.429 1.00 0.00 H new ATOM 530 N GLY A 37 12.671 7.278 -2.352 1.00 0.00 N ATOM 531 CA GLY A 37 11.330 7.743 -2.053 1.00 0.00 C ATOM 532 C GLY A 37 10.289 6.652 -2.211 1.00 0.00 C ATOM 533 O GLY A 37 10.615 5.523 -2.578 1.00 0.00 O ATOM 0 H GLY A 37 12.715 6.414 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.300 8.124 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.082 8.575 -2.712 1.00 0.00 H new ATOM 537 N TYR A 38 9.035 6.988 -1.931 1.00 0.00 N ATOM 538 CA TYR A 38 7.944 6.026 -2.039 1.00 0.00 C ATOM 539 C TYR A 38 6.747 6.640 -2.758 1.00 0.00 C ATOM 540 O TYR A 38 6.318 7.750 -2.439 1.00 0.00 O ATOM 541 CB TYR A 38 7.525 5.540 -0.651 1.00 0.00 C ATOM 542 CG TYR A 38 8.279 4.315 -0.185 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.160 3.104 -0.858 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.111 4.367 0.926 1.00 0.00 C ATOM 545 CE1 TYR A 38 8.846 1.982 -0.435 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.802 3.250 1.355 1.00 0.00 C ATOM 547 CZ TYR A 38 9.665 2.060 0.671 1.00 0.00 C ATOM 548 OH TYR A 38 10.352 0.945 1.094 1.00 0.00 O ATOM 0 H TYR A 38 8.748 7.919 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 38 8.299 5.176 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.677 6.345 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.458 5.318 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.521 3.040 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.220 5.297 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.741 1.049 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.445 3.308 2.220 1.00 0.00 H new ATOM 0 HH TYR A 38 10.885 1.170 1.885 1.00 0.00 H new ATOM 558 N LEU A 39 6.211 5.910 -3.730 1.00 0.00 N ATOM 559 CA LEU A 39 5.062 6.380 -4.495 1.00 0.00 C ATOM 560 C LEU A 39 3.835 5.515 -4.223 1.00 0.00 C ATOM 561 O LEU A 39 3.603 4.516 -4.906 1.00 0.00 O ATOM 562 CB LEU A 39 5.383 6.373 -5.991 1.00 0.00 C ATOM 563 CG LEU A 39 4.218 6.688 -6.929 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.739 8.117 -6.725 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.623 6.462 -8.378 1.00 0.00 C ATOM 0 H LEU A 39 6.554 4.990 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 39 4.841 7.400 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.177 7.096 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.779 5.392 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 39 3.395 6.013 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.909 8.323 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.408 8.246 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.556 8.808 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.781 6.691 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.462 7.111 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.916 5.421 -8.516 1.00 0.00 H new ATOM 577 N LEU A 40 3.052 5.906 -3.224 1.00 0.00 N ATOM 578 CA LEU A 40 1.847 5.168 -2.862 1.00 0.00 C ATOM 579 C LEU A 40 0.670 5.585 -3.738 1.00 0.00 C ATOM 580 O LEU A 40 0.130 6.681 -3.588 1.00 0.00 O ATOM 581 CB LEU A 40 1.508 5.397 -1.388 1.00 0.00 C ATOM 582 CG LEU A 40 0.304 4.623 -0.849 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.682 3.178 -0.564 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.240 5.291 0.405 1.00 0.00 C ATOM 0 H LEU A 40 3.230 6.730 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 40 2.038 4.107 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.381 5.135 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.327 6.461 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.478 4.629 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.187 2.643 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.024 2.703 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.480 3.150 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.096 4.727 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.536 5.316 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.550 6.309 0.170 1.00 0.00 H new ATOM 596 N SER A 41 0.275 4.703 -4.650 1.00 0.00 N ATOM 597 CA SER A 41 -0.837 4.980 -5.551 1.00 0.00 C ATOM 598 C SER A 41 -2.064 4.159 -5.168 1.00 0.00 C ATOM 599 O SER A 41 -2.073 2.935 -5.302 1.00 0.00 O ATOM 600 CB SER A 41 -0.438 4.678 -6.997 1.00 0.00 C ATOM 601 OG SER A 41 0.542 5.592 -7.457 1.00 0.00 O ATOM 0 H SER A 41 0.709 3.790 -4.785 1.00 0.00 H new ATOM 0 HA SER A 41 -1.087 6.037 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.052 3.661 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.318 4.730 -7.639 1.00 0.00 H new ATOM 0 HG SER A 41 0.781 5.377 -8.383 1.00 0.00 H new ATOM 607 N PHE A 42 -3.100 4.841 -4.690 1.00 0.00 N ATOM 608 CA PHE A 42 -4.333 4.175 -4.286 1.00 0.00 C ATOM 609 C PHE A 42 -5.541 4.805 -4.972 1.00 0.00 C ATOM 610 O PHE A 42 -5.798 6.001 -4.828 1.00 0.00 O ATOM 611 CB PHE A 42 -4.501 4.246 -2.767 1.00 0.00 C ATOM 612 CG PHE A 42 -5.185 5.497 -2.297 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.450 6.630 -1.987 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.564 5.542 -2.166 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.077 7.783 -1.553 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.197 6.692 -1.733 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.453 7.814 -1.428 1.00 0.00 C ATOM 0 H PHE A 42 -3.110 5.854 -4.573 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.269 3.130 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.073 3.381 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.519 4.180 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.375 6.612 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.151 4.668 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.492 8.658 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.272 6.713 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.945 8.715 -1.092 1.00 0.00 H new ATOM 627 N HIS A 43 -6.280 3.992 -5.720 1.00 0.00 N ATOM 628 CA HIS A 43 -7.462 4.468 -6.430 1.00 0.00 C ATOM 629 C HIS A 43 -8.712 3.729 -5.962 1.00 0.00 C ATOM 630 O HIS A 43 -8.636 2.589 -5.501 1.00 0.00 O ATOM 631 CB HIS A 43 -7.284 4.290 -7.938 1.00 0.00 C ATOM 632 CG HIS A 43 -7.841 3.001 -8.458 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.109 1.833 -8.515 1.00 0.00 N ATOM 634 CD2 HIS A 43 -9.067 2.698 -8.945 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.860 0.869 -9.017 1.00 0.00 C ATOM 636 NE2 HIS A 43 -9.054 1.368 -9.285 1.00 0.00 N ATOM 0 H HIS A 43 -6.081 3.000 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.585 5.528 -6.209 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.768 5.120 -8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.222 4.341 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.901 3.377 -9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.551 -0.153 -9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.838 0.849 -9.680 1.00 0.00 H new ATOM 645 N THR A 44 -9.862 4.384 -6.083 1.00 0.00 N ATOM 646 CA THR A 44 -11.127 3.790 -5.672 1.00 0.00 C ATOM 647 C THR A 44 -11.877 3.210 -6.866 1.00 0.00 C ATOM 648 O THR A 44 -11.906 3.789 -7.952 1.00 0.00 O ATOM 649 CB THR A 44 -12.028 4.820 -4.965 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.341 4.278 -4.780 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.115 6.107 -5.772 1.00 0.00 C ATOM 0 H THR A 44 -9.943 5.327 -6.463 1.00 0.00 H new ATOM 0 HA THR A 44 -10.887 2.988 -4.974 1.00 0.00 H new ATOM 0 HB THR A 44 -11.589 5.047 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.907 4.938 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.757 6.819 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.118 6.533 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.533 5.892 -6.756 1.00 0.00 H new ATOM 659 N PRO A 45 -12.500 2.040 -6.663 1.00 0.00 N ATOM 660 CA PRO A 45 -13.263 1.357 -7.712 1.00 0.00 C ATOM 661 C PRO A 45 -14.551 2.094 -8.065 1.00 0.00 C ATOM 662 O PRO A 45 -15.320 1.648 -8.916 1.00 0.00 O ATOM 663 CB PRO A 45 -13.580 -0.005 -7.091 1.00 0.00 C ATOM 664 CG PRO A 45 -13.550 0.233 -5.620 1.00 0.00 C ATOM 665 CD PRO A 45 -12.509 1.294 -5.394 1.00 0.00 C ATOM 0 HA PRO A 45 -12.705 1.295 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.555 -0.370 -7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.846 -0.755 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.525 0.559 -5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.299 -0.681 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.767 1.937 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.533 0.860 -5.177 1.00 0.00 H new ATOM 704 N THR A 49 -8.565 8.287 -9.232 1.00 0.00 N ATOM 705 CA THR A 49 -7.301 7.875 -8.635 1.00 0.00 C ATOM 706 C THR A 49 -6.700 8.993 -7.792 1.00 0.00 C ATOM 707 O THR A 49 -6.838 10.172 -8.119 1.00 0.00 O ATOM 708 CB THR A 49 -6.282 7.456 -9.712 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.832 6.416 -10.529 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.987 6.975 -9.074 1.00 0.00 C ATOM 0 HA THR A 49 -7.518 7.019 -7.996 1.00 0.00 H new ATOM 0 HB THR A 49 -6.063 8.326 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.792 6.570 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.283 6.685 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.556 7.778 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.193 6.117 -8.434 1.00 0.00 H new ATOM 718 N GLN A 50 -6.032 8.616 -6.706 1.00 0.00 N ATOM 719 CA GLN A 50 -5.410 9.589 -5.816 1.00 0.00 C ATOM 720 C GLN A 50 -3.967 9.202 -5.509 1.00 0.00 C ATOM 721 O GLN A 50 -3.700 8.105 -5.022 1.00 0.00 O ATOM 722 CB GLN A 50 -6.207 9.704 -4.515 1.00 0.00 C ATOM 723 CG GLN A 50 -5.592 10.662 -3.508 1.00 0.00 C ATOM 724 CD GLN A 50 -6.004 12.102 -3.744 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.788 12.395 -4.648 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.478 13.010 -2.931 1.00 0.00 N ATOM 0 H GLN A 50 -5.908 7.644 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.408 10.555 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.220 10.034 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.290 8.717 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.887 10.364 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.506 10.586 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.833 12.723 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.719 13.995 -3.042 1.00 0.00 H new ATOM 735 N GLU A 51 -3.042 10.112 -5.799 1.00 0.00 N ATOM 736 CA GLU A 51 -1.626 9.864 -5.555 1.00 0.00 C ATOM 737 C GLU A 51 -1.153 10.594 -4.301 1.00 0.00 C ATOM 738 O GLU A 51 -1.724 11.614 -3.913 1.00 0.00 O ATOM 739 CB GLU A 51 -0.793 10.305 -6.760 1.00 0.00 C ATOM 740 CG GLU A 51 -0.619 9.221 -7.810 1.00 0.00 C ATOM 741 CD GLU A 51 0.355 9.617 -8.903 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.357 10.804 -9.293 1.00 0.00 O ATOM 743 OE2 GLU A 51 1.114 8.742 -9.368 1.00 0.00 O ATOM 0 H GLU A 51 -3.247 11.026 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.493 8.793 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.267 11.172 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.190 10.625 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.268 8.308 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.587 8.994 -8.256 1.00 0.00 H new ATOM 750 N ILE A 52 -0.109 10.065 -3.674 1.00 0.00 N ATOM 751 CA ILE A 52 0.441 10.667 -2.465 1.00 0.00 C ATOM 752 C ILE A 52 1.962 10.563 -2.442 1.00 0.00 C ATOM 753 O ILE A 52 2.525 9.489 -2.654 1.00 0.00 O ATOM 754 CB ILE A 52 -0.127 10.002 -1.197 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.651 10.140 -1.161 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.496 10.616 0.048 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.287 9.494 0.050 1.00 0.00 C ATOM 0 H ILE A 52 0.374 9.221 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 52 0.151 11.718 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 52 0.122 8.941 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.913 11.198 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.070 9.694 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.084 10.136 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.576 10.470 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.275 11.683 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.368 9.631 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.056 8.429 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.896 9.957 0.956 1.00 0.00 H new ATOM 769 N LEU A 53 2.622 11.686 -2.181 1.00 0.00 N ATOM 770 CA LEU A 53 4.079 11.723 -2.127 1.00 0.00 C ATOM 771 C LEU A 53 4.582 11.381 -0.728 1.00 0.00 C ATOM 772 O LEU A 53 4.310 12.100 0.234 1.00 0.00 O ATOM 773 CB LEU A 53 4.590 13.104 -2.542 1.00 0.00 C ATOM 774 CG LEU A 53 6.108 13.259 -2.631 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.660 12.449 -3.794 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.487 14.726 -2.772 1.00 0.00 C ATOM 0 H LEU A 53 2.171 12.583 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 53 4.462 10.977 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.162 13.351 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.211 13.838 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 53 6.548 12.878 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.742 12.572 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.420 11.396 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.214 12.799 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.571 14.817 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.036 15.133 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.125 15.280 -1.906 1.00 0.00 H new ATOM 788 N LEU A 54 5.317 10.279 -0.622 1.00 0.00 N ATOM 789 CA LEU A 54 5.860 9.842 0.659 1.00 0.00 C ATOM 790 C LEU A 54 7.190 10.530 0.949 1.00 0.00 C ATOM 791 O LEU A 54 7.905 10.960 0.044 1.00 0.00 O ATOM 792 CB LEU A 54 6.045 8.324 0.666 1.00 0.00 C ATOM 793 CG LEU A 54 4.769 7.493 0.799 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.168 7.655 2.186 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.761 7.888 -0.271 1.00 0.00 C ATOM 0 H LEU A 54 5.550 9.672 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 54 5.151 10.118 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.548 8.035 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.712 8.063 1.488 1.00 0.00 H new ATOM 0 HG LEU A 54 5.026 6.443 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.260 7.056 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.886 7.322 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.926 8.704 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.859 7.286 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.509 8.943 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.192 7.718 -1.258 1.00 0.00 H new ATOM 807 N PRO A 55 7.533 10.634 2.242 1.00 0.00 N ATOM 808 CA PRO A 55 8.781 11.266 2.681 1.00 0.00 C ATOM 809 C PRO A 55 10.009 10.436 2.322 1.00 0.00 C ATOM 810 O PRO A 55 11.104 10.970 2.157 1.00 0.00 O ATOM 811 CB PRO A 55 8.619 11.350 4.201 1.00 0.00 C ATOM 812 CG PRO A 55 7.668 10.256 4.543 1.00 0.00 C ATOM 813 CD PRO A 55 6.729 10.143 3.374 1.00 0.00 C ATOM 0 HA PRO A 55 8.940 12.231 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.574 11.217 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.230 12.322 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.197 9.318 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.124 10.484 5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.402 9.115 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.831 10.744 3.520 1.00 0.00 H new ATOM 821 N GLY A 56 9.817 9.126 2.200 1.00 0.00 N ATOM 822 CA GLY A 56 10.918 8.244 1.860 1.00 0.00 C ATOM 823 C GLY A 56 11.767 7.886 3.064 1.00 0.00 C ATOM 824 O GLY A 56 12.744 8.569 3.369 1.00 0.00 O ATOM 0 H GLY A 56 8.919 8.660 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.524 7.331 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.544 8.723 1.107 1.00 0.00 H new ATOM 828 N GLY A 57 11.394 6.810 3.751 1.00 0.00 N ATOM 829 CA GLY A 57 12.138 6.383 4.921 1.00 0.00 C ATOM 830 C GLY A 57 11.233 5.996 6.074 1.00 0.00 C ATOM 831 O GLY A 57 11.548 6.261 7.235 1.00 0.00 O ATOM 0 H GLY A 57 10.590 6.227 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.768 5.534 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.802 7.187 5.239 1.00 0.00 H new ATOM 835 N ILE A 58 10.105 5.370 5.755 1.00 0.00 N ATOM 836 CA ILE A 58 9.152 4.947 6.774 1.00 0.00 C ATOM 837 C ILE A 58 8.797 3.473 6.616 1.00 0.00 C ATOM 838 O ILE A 58 9.333 2.782 5.749 1.00 0.00 O ATOM 839 CB ILE A 58 7.860 5.783 6.717 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.958 5.292 5.583 1.00 0.00 C ATOM 841 CG2 ILE A 58 8.190 7.258 6.537 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.752 6.173 5.344 1.00 0.00 C ATOM 0 H ILE A 58 9.829 5.145 4.799 1.00 0.00 H new ATOM 0 HA ILE A 58 9.633 5.101 7.740 1.00 0.00 H new ATOM 0 HB ILE A 58 7.326 5.662 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.542 5.233 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.620 4.281 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.266 7.835 6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.797 7.600 7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.743 7.396 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.159 5.764 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.145 6.212 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.082 7.179 5.085 1.00 0.00 H new ATOM 854 N THR A 59 7.888 2.995 7.461 1.00 0.00 N ATOM 855 CA THR A 59 7.461 1.602 7.416 1.00 0.00 C ATOM 856 C THR A 59 5.941 1.495 7.366 1.00 0.00 C ATOM 857 O THR A 59 5.391 0.404 7.221 1.00 0.00 O ATOM 858 CB THR A 59 7.979 0.816 8.634 1.00 0.00 C ATOM 859 OG1 THR A 59 7.700 1.538 9.839 1.00 0.00 O ATOM 860 CG2 THR A 59 9.476 0.568 8.522 1.00 0.00 C ATOM 0 H THR A 59 7.434 3.552 8.184 1.00 0.00 H new ATOM 0 HA THR A 59 7.884 1.171 6.508 1.00 0.00 H new ATOM 0 HB THR A 59 7.468 -0.146 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.031 1.030 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.819 0.011 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.683 -0.007 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.000 1.522 8.472 1.00 0.00 H new ATOM 868 N SER A 60 5.268 2.635 7.486 1.00 0.00 N ATOM 869 CA SER A 60 3.810 2.668 7.457 1.00 0.00 C ATOM 870 C SER A 60 3.304 4.091 7.239 1.00 0.00 C ATOM 871 O SER A 60 3.793 5.038 7.855 1.00 0.00 O ATOM 872 CB SER A 60 3.240 2.106 8.761 1.00 0.00 C ATOM 873 OG SER A 60 3.764 0.818 9.033 1.00 0.00 O ATOM 0 H SER A 60 5.709 3.547 7.604 1.00 0.00 H new ATOM 0 HA SER A 60 3.473 2.049 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.476 2.780 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.153 2.053 8.694 1.00 0.00 H new ATOM 0 HG SER A 60 4.148 0.441 8.214 1.00 0.00 H new ATOM 879 N HIS A 61 2.320 4.233 6.357 1.00 0.00 N ATOM 880 CA HIS A 61 1.745 5.540 6.056 1.00 0.00 C ATOM 881 C HIS A 61 0.233 5.529 6.261 1.00 0.00 C ATOM 882 O HIS A 61 -0.454 4.604 5.826 1.00 0.00 O ATOM 883 CB HIS A 61 2.074 5.947 4.619 1.00 0.00 C ATOM 884 CG HIS A 61 2.024 7.426 4.390 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.195 8.015 3.458 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.705 8.437 4.978 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.370 9.324 3.483 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.281 9.606 4.397 1.00 0.00 N ATOM 0 H HIS A 61 1.904 3.460 5.838 1.00 0.00 H new ATOM 0 HA HIS A 61 2.181 6.268 6.740 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.069 5.582 4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.373 5.459 3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.445 8.342 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.855 10.042 2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.615 10.540 4.633 1.00 0.00 H new ATOM 897 N GLN A 62 -0.277 6.560 6.925 1.00 0.00 N ATOM 898 CA GLN A 62 -1.707 6.667 7.188 1.00 0.00 C ATOM 899 C GLN A 62 -2.434 7.287 6.000 1.00 0.00 C ATOM 900 O GLN A 62 -1.864 8.090 5.260 1.00 0.00 O ATOM 901 CB GLN A 62 -1.955 7.503 8.445 1.00 0.00 C ATOM 902 CG GLN A 62 -3.427 7.757 8.727 1.00 0.00 C ATOM 903 CD GLN A 62 -4.122 6.551 9.327 1.00 0.00 C ATOM 904 OE1 GLN A 62 -5.178 6.087 8.668 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -3.716 6.041 10.371 1.00 0.00 N flip ATOM 0 H GLN A 62 0.278 7.333 7.291 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.098 5.662 7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.512 6.995 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.443 8.460 8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.522 8.603 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.928 8.036 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.901 6.430 10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.195 5.230 10.762 1.00 0.00 H new ATOM 914 N LEU A 63 -3.695 6.909 5.822 1.00 0.00 N ATOM 915 CA LEU A 63 -4.501 7.428 4.722 1.00 0.00 C ATOM 916 C LEU A 63 -5.713 8.191 5.248 1.00 0.00 C ATOM 917 O LEU A 63 -6.451 7.695 6.100 1.00 0.00 O ATOM 918 CB LEU A 63 -4.959 6.284 3.815 1.00 0.00 C ATOM 919 CG LEU A 63 -3.853 5.531 3.075 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.424 4.323 2.349 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.142 6.455 2.097 1.00 0.00 C ATOM 0 H LEU A 63 -4.181 6.245 6.425 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.883 8.116 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.517 5.569 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.653 6.687 3.077 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.126 5.180 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.623 3.799 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.888 3.651 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.172 4.652 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.358 5.903 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.859 6.836 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.699 7.289 2.641 1.00 0.00 H new ATOM 933 N LEU A 64 -5.914 9.399 4.732 1.00 0.00 N ATOM 934 CA LEU A 64 -7.038 10.231 5.148 1.00 0.00 C ATOM 935 C LEU A 64 -8.027 10.421 4.003 1.00 0.00 C ATOM 936 O LEU A 64 -7.634 10.659 2.862 1.00 0.00 O ATOM 937 CB LEU A 64 -6.537 11.592 5.635 1.00 0.00 C ATOM 938 CG LEU A 64 -5.577 11.568 6.825 1.00 0.00 C ATOM 939 CD1 LEU A 64 -4.973 12.945 7.052 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.291 11.083 8.078 1.00 0.00 C ATOM 0 H LEU A 64 -5.314 9.824 4.025 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.550 9.725 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.041 12.093 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.401 12.200 5.903 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.769 10.872 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.293 12.908 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.424 13.253 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.768 13.662 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.592 11.073 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.120 11.753 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.673 10.076 7.912 1.00 0.00 H new ATOM 952 N GLY A 65 -9.315 10.315 4.317 1.00 0.00 N ATOM 953 CA GLY A 65 -10.342 10.479 3.304 1.00 0.00 C ATOM 954 C GLY A 65 -10.710 9.170 2.634 1.00 0.00 C ATOM 955 O GLY A 65 -10.297 8.905 1.504 1.00 0.00 O ATOM 0 H GLY A 65 -9.665 10.119 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.232 10.913 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.994 11.185 2.549 1.00 0.00 H new ATOM 959 N LEU A 66 -11.487 8.349 3.331 1.00 0.00 N ATOM 960 CA LEU A 66 -11.910 7.059 2.797 1.00 0.00 C ATOM 961 C LEU A 66 -13.423 6.899 2.894 1.00 0.00 C ATOM 962 O LEU A 66 -14.088 7.623 3.635 1.00 0.00 O ATOM 963 CB LEU A 66 -11.216 5.921 3.549 1.00 0.00 C ATOM 964 CG LEU A 66 -9.688 5.963 3.568 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.134 4.837 4.428 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.134 5.878 2.153 1.00 0.00 C ATOM 0 H LEU A 66 -11.837 8.553 4.267 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.626 7.018 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.572 5.923 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.528 4.976 3.105 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.375 6.912 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.045 4.883 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.503 4.943 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.456 3.878 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.045 5.909 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.456 4.945 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.503 6.719 1.566 1.00 0.00 H new ATOM 978 N PHE A 67 -13.962 5.945 2.142 1.00 0.00 N ATOM 979 CA PHE A 67 -15.397 5.688 2.144 1.00 0.00 C ATOM 980 C PHE A 67 -15.730 4.461 2.986 1.00 0.00 C ATOM 981 O PHE A 67 -14.951 3.511 3.080 1.00 0.00 O ATOM 982 CB PHE A 67 -15.904 5.492 0.713 1.00 0.00 C ATOM 983 CG PHE A 67 -15.799 6.727 -0.135 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.189 7.960 0.363 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.312 6.655 -1.430 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.095 9.098 -0.416 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.215 7.790 -2.213 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.606 9.013 -1.705 1.00 0.00 C ATOM 0 H PHE A 67 -13.426 5.337 1.523 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.894 6.553 2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.337 4.689 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.945 5.171 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.571 8.033 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.005 5.701 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.404 10.053 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.834 7.720 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.530 9.901 -2.314 1.00 0.00 H new ATOM 998 N PRO A 68 -16.914 4.478 3.615 1.00 0.00 N ATOM 999 CA PRO A 68 -17.378 3.374 4.462 1.00 0.00 C ATOM 1000 C PRO A 68 -17.715 2.126 3.653 1.00 0.00 C ATOM 1001 O PRO A 68 -18.580 2.157 2.778 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.637 3.939 5.123 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.122 4.987 4.181 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.893 5.576 3.548 1.00 0.00 C ATOM 0 HA PRO A 68 -16.614 3.055 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.388 3.163 5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.414 4.360 6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.782 4.558 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.694 5.751 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.080 5.885 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.546 6.457 4.088 1.00 0.00 H new ATOM 1012 N SER A 69 -17.026 1.029 3.952 1.00 0.00 N ATOM 1013 CA SER A 69 -17.251 -0.229 3.250 1.00 0.00 C ATOM 1014 C SER A 69 -16.894 -0.099 1.773 1.00 0.00 C ATOM 1015 O SER A 69 -17.582 -0.636 0.905 1.00 0.00 O ATOM 1016 CB SER A 69 -18.710 -0.666 3.397 1.00 0.00 C ATOM 1017 OG SER A 69 -18.908 -1.966 2.869 1.00 0.00 O ATOM 0 H SER A 69 -16.308 0.986 4.675 1.00 0.00 H new ATOM 0 HA SER A 69 -16.606 -0.985 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 69 -18.993 -0.650 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.359 0.042 2.882 1.00 0.00 H new ATOM 0 HG SER A 69 -18.654 -1.977 1.922 1.00 0.00 H new ATOM 1023 N THR A 70 -15.810 0.620 1.494 1.00 0.00 N ATOM 1024 CA THR A 70 -15.361 0.824 0.122 1.00 0.00 C ATOM 1025 C THR A 70 -13.983 0.210 -0.101 1.00 0.00 C ATOM 1026 O THR A 70 -13.014 0.577 0.563 1.00 0.00 O ATOM 1027 CB THR A 70 -15.307 2.321 -0.235 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.614 2.896 -0.131 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.770 2.522 -1.644 1.00 0.00 C ATOM 0 H THR A 70 -15.227 1.070 2.200 1.00 0.00 H new ATOM 0 HA THR A 70 -16.086 0.330 -0.525 1.00 0.00 H new ATOM 0 HB THR A 70 -14.636 2.816 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.816 3.399 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.741 3.587 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.764 2.109 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.420 2.015 -2.357 1.00 0.00 H new ATOM 1037 N SER A 71 -13.903 -0.726 -1.041 1.00 0.00 N ATOM 1038 CA SER A 71 -12.644 -1.394 -1.350 1.00 0.00 C ATOM 1039 C SER A 71 -11.656 -0.421 -1.987 1.00 0.00 C ATOM 1040 O SER A 71 -12.033 0.415 -2.809 1.00 0.00 O ATOM 1041 CB SER A 71 -12.887 -2.579 -2.287 1.00 0.00 C ATOM 1042 OG SER A 71 -11.703 -3.336 -2.468 1.00 0.00 O ATOM 0 H SER A 71 -14.695 -1.039 -1.602 1.00 0.00 H new ATOM 0 HA SER A 71 -12.216 -1.761 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.671 -3.216 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.242 -2.217 -3.252 1.00 0.00 H new ATOM 0 HG SER A 71 -11.884 -4.088 -3.069 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.390 -0.537 -1.603 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.347 0.332 -2.133 1.00 0.00 C ATOM 1050 C TYR A 72 -8.125 -0.477 -2.555 1.00 0.00 C ATOM 1051 O TYR A 72 -7.751 -1.447 -1.896 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.946 1.377 -1.091 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.927 2.522 -0.972 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.824 3.639 -1.792 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -10.957 2.485 -0.040 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.718 4.687 -1.686 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.856 3.528 0.072 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.732 4.627 -0.753 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.625 5.668 -0.645 1.00 0.00 O ATOM 0 H TYR A 72 -10.061 -1.225 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.745 0.839 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.849 0.891 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.965 1.776 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.032 3.689 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.056 1.626 0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.623 5.549 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.651 3.483 0.801 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.432 5.462 -1.162 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.506 -0.071 -3.659 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.325 -0.758 -4.170 1.00 0.00 C ATOM 1071 C ASN A 73 -5.080 0.110 -4.011 1.00 0.00 C ATOM 1072 O ASN A 73 -4.851 1.033 -4.792 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.520 -1.125 -5.642 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.436 -2.053 -6.155 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -5.602 -3.272 -6.169 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -4.318 -1.476 -6.581 1.00 0.00 N ATOM 0 H ASN A 73 -7.802 0.730 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.187 -1.671 -3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.492 -1.601 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.530 -0.215 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.553 -2.048 -6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.225 -0.461 -6.551 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.278 -0.195 -2.996 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.055 0.555 -2.737 1.00 0.00 C ATOM 1085 C ALA A 74 -1.838 -0.167 -3.305 1.00 0.00 C ATOM 1086 O ALA A 74 -1.805 -1.396 -3.364 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.885 0.786 -1.243 1.00 0.00 C ATOM 0 H ALA A 74 -4.453 -0.956 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.137 1.521 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.968 1.347 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.736 1.351 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.829 -0.174 -0.730 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.840 0.604 -3.723 1.00 0.00 N ATOM 1094 CA ARG A 75 0.379 0.038 -4.288 1.00 0.00 C ATOM 1095 C ARG A 75 1.614 0.746 -3.738 1.00 0.00 C ATOM 1096 O ARG A 75 1.665 1.975 -3.683 1.00 0.00 O ATOM 1097 CB ARG A 75 0.355 0.143 -5.814 1.00 0.00 C ATOM 1098 CG ARG A 75 1.655 -0.289 -6.474 1.00 0.00 C ATOM 1099 CD ARG A 75 1.824 0.352 -7.843 1.00 0.00 C ATOM 1100 NE ARG A 75 2.513 1.637 -7.764 1.00 0.00 N ATOM 1101 CZ ARG A 75 2.735 2.417 -8.816 1.00 0.00 C ATOM 1102 NH1 ARG A 75 2.323 2.046 -10.020 1.00 0.00 N ATOM 1103 NH2 ARG A 75 3.369 3.573 -8.664 1.00 0.00 N ATOM 0 H ARG A 75 -0.851 1.623 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 75 0.428 -1.013 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.460 -0.470 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.139 1.174 -6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.496 -0.016 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.670 -1.374 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.385 -0.321 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.845 0.493 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 75 2.842 1.953 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.834 1.159 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.495 2.647 -10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.686 3.863 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.539 4.171 -9.472 1.00 0.00 H new ATOM 1117 N LEU A 76 2.606 -0.038 -3.330 1.00 0.00 N ATOM 1118 CA LEU A 76 3.841 0.513 -2.783 1.00 0.00 C ATOM 1119 C LEU A 76 4.985 0.384 -3.784 1.00 0.00 C ATOM 1120 O LEU A 76 5.550 -0.695 -3.959 1.00 0.00 O ATOM 1121 CB LEU A 76 4.206 -0.197 -1.479 1.00 0.00 C ATOM 1122 CG LEU A 76 5.267 0.487 -0.616 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.715 1.765 -0.005 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.760 -0.456 0.471 1.00 0.00 C ATOM 0 H LEU A 76 2.579 -1.057 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 76 3.679 1.571 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.300 -0.309 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.555 -1.201 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 76 6.112 0.748 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.484 2.238 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.412 2.447 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.852 1.528 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.514 0.048 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.923 -0.749 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.196 -1.344 0.012 1.00 0.00 H new ATOM 1136 N GLN A 77 5.322 1.492 -4.436 1.00 0.00 N ATOM 1137 CA GLN A 77 6.400 1.502 -5.418 1.00 0.00 C ATOM 1138 C GLN A 77 7.489 2.493 -5.021 1.00 0.00 C ATOM 1139 O GLN A 77 7.305 3.705 -5.122 1.00 0.00 O ATOM 1140 CB GLN A 77 5.853 1.854 -6.803 1.00 0.00 C ATOM 1141 CG GLN A 77 6.671 1.274 -7.945 1.00 0.00 C ATOM 1142 CD GLN A 77 6.606 2.123 -9.200 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.277 3.308 -9.145 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.920 1.519 -10.340 1.00 0.00 N ATOM 0 H GLN A 77 4.865 2.394 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 77 6.837 0.504 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.827 1.493 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.818 2.939 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.710 1.177 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.312 0.270 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.187 0.535 -10.339 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.894 2.039 -11.217 1.00 0.00 H new ATOM 1153 N ALA A 78 8.623 1.968 -4.568 1.00 0.00 N ATOM 1154 CA ALA A 78 9.742 2.806 -4.157 1.00 0.00 C ATOM 1155 C ALA A 78 10.643 3.139 -5.342 1.00 0.00 C ATOM 1156 O ALA A 78 10.735 2.370 -6.298 1.00 0.00 O ATOM 1157 CB ALA A 78 10.542 2.119 -3.060 1.00 0.00 C ATOM 0 H ALA A 78 8.791 0.966 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 78 9.339 3.740 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.375 2.757 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.898 1.938 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.927 1.169 -3.431 1.00 0.00 H new ATOM 1163 N MET A 79 11.304 4.289 -5.271 1.00 0.00 N ATOM 1164 CA MET A 79 12.198 4.723 -6.339 1.00 0.00 C ATOM 1165 C MET A 79 13.647 4.377 -6.009 1.00 0.00 C ATOM 1166 O MET A 79 14.186 4.824 -4.997 1.00 0.00 O ATOM 1167 CB MET A 79 12.061 6.229 -6.568 1.00 0.00 C ATOM 1168 CG MET A 79 10.619 6.698 -6.678 1.00 0.00 C ATOM 1169 SD MET A 79 10.488 8.437 -7.138 1.00 0.00 S ATOM 1170 CE MET A 79 10.426 9.211 -5.524 1.00 0.00 C ATOM 0 H MET A 79 11.238 4.937 -4.486 1.00 0.00 H new ATOM 0 HA MET A 79 11.916 4.197 -7.251 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.545 6.759 -5.747 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.593 6.500 -7.480 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.099 6.090 -7.418 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.116 6.539 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.291 10.286 -5.641 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.592 8.800 -4.955 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.358 9.018 -4.992 1.00 0.00 H new ATOM 1180 N TRP A 80 14.270 3.579 -6.868 1.00 0.00 N ATOM 1181 CA TRP A 80 15.657 3.173 -6.667 1.00 0.00 C ATOM 1182 C TRP A 80 16.534 3.642 -7.822 1.00 0.00 C ATOM 1183 O TRP A 80 16.046 3.888 -8.925 1.00 0.00 O ATOM 1184 CB TRP A 80 15.749 1.653 -6.524 1.00 0.00 C ATOM 1185 CG TRP A 80 15.415 1.165 -5.147 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.261 1.087 -4.077 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.145 0.686 -4.692 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.593 0.588 -2.985 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.293 0.335 -3.336 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.896 0.522 -5.298 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.240 -0.171 -2.579 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.852 0.019 -4.545 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.028 -0.322 -3.197 1.00 0.00 C ATOM 0 H TRP A 80 13.837 3.200 -7.710 1.00 0.00 H new ATOM 0 HA TRP A 80 16.017 3.639 -5.750 1.00 0.00 H new ATOM 0 HB2 TRP A 80 15.074 1.186 -7.241 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.758 1.331 -6.781 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.302 1.375 -4.088 1.00 0.00 H new ATOM 0 HE1 TRP A 80 15.999 0.431 -2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.750 0.784 -6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.375 -0.435 -1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.883 -0.114 -5.003 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.192 -0.711 -2.635 1.00 0.00 H new ATOM 1204 N GLY A 81 17.833 3.763 -7.563 1.00 0.00 N ATOM 1205 CA GLY A 81 18.757 4.202 -8.592 1.00 0.00 C ATOM 1206 C GLY A 81 18.434 3.613 -9.951 1.00 0.00 C ATOM 1207 O GLY A 81 18.532 2.403 -10.148 1.00 0.00 O ATOM 0 H GLY A 81 18.261 3.565 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.734 5.290 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.771 3.921 -8.309 1.00 0.00 H new ATOM 1211 N GLN A 82 18.046 4.472 -10.888 1.00 0.00 N ATOM 1212 CA GLN A 82 17.705 4.029 -12.235 1.00 0.00 C ATOM 1213 C GLN A 82 17.026 2.663 -12.203 1.00 0.00 C ATOM 1214 O GLN A 82 17.424 1.744 -12.919 1.00 0.00 O ATOM 1215 CB GLN A 82 18.960 3.968 -13.108 1.00 0.00 C ATOM 1216 CG GLN A 82 18.668 4.034 -14.598 1.00 0.00 C ATOM 1217 CD GLN A 82 19.906 3.819 -15.445 1.00 0.00 C ATOM 1218 OE1 GLN A 82 20.861 3.170 -15.017 1.00 0.00 O ATOM 1219 NE2 GLN A 82 19.898 4.364 -16.656 1.00 0.00 N ATOM 0 H GLN A 82 17.960 5.477 -10.740 1.00 0.00 H new ATOM 0 HA GLN A 82 17.009 4.751 -12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.620 4.792 -12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.498 3.045 -12.892 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.923 3.280 -14.852 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.233 5.005 -14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.086 4.894 -16.971 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.704 4.252 -17.271 1.00 0.00 H new ATOM 1228 N SER A 83 15.999 2.538 -11.369 1.00 0.00 N ATOM 1229 CA SER A 83 15.267 1.283 -11.240 1.00 0.00 C ATOM 1230 C SER A 83 13.954 1.494 -10.493 1.00 0.00 C ATOM 1231 O SER A 83 13.838 2.395 -9.661 1.00 0.00 O ATOM 1232 CB SER A 83 16.120 0.243 -10.512 1.00 0.00 C ATOM 1233 OG SER A 83 17.085 -0.324 -11.381 1.00 0.00 O ATOM 0 H SER A 83 15.655 3.290 -10.772 1.00 0.00 H new ATOM 0 HA SER A 83 15.040 0.919 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.620 0.708 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.479 -0.543 -10.113 1.00 0.00 H new ATOM 0 HG SER A 83 17.066 0.144 -12.242 1.00 0.00 H new ATOM 1239 N LEU A 84 12.968 0.657 -10.795 1.00 0.00 N ATOM 1240 CA LEU A 84 11.661 0.750 -10.152 1.00 0.00 C ATOM 1241 C LEU A 84 11.167 -0.627 -9.723 1.00 0.00 C ATOM 1242 O LEU A 84 10.259 -1.191 -10.335 1.00 0.00 O ATOM 1243 CB LEU A 84 10.649 1.395 -11.101 1.00 0.00 C ATOM 1244 CG LEU A 84 10.998 2.798 -11.601 1.00 0.00 C ATOM 1245 CD1 LEU A 84 10.392 3.040 -12.975 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.520 3.851 -10.613 1.00 0.00 C ATOM 0 H LEU A 84 13.048 -0.094 -11.481 1.00 0.00 H new ATOM 0 HA LEU A 84 11.764 1.372 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.525 0.743 -11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.684 1.441 -10.595 1.00 0.00 H new ATOM 0 HG LEU A 84 12.082 2.874 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.650 4.043 -13.315 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.783 2.306 -13.680 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.308 2.945 -12.916 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.777 4.843 -10.985 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.439 3.776 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.001 3.690 -9.648 1.00 0.00 H new ATOM 1258 N LEU A 85 11.767 -1.162 -8.665 1.00 0.00 N ATOM 1259 CA LEU A 85 11.385 -2.473 -8.151 1.00 0.00 C ATOM 1260 C LEU A 85 9.877 -2.676 -8.243 1.00 0.00 C ATOM 1261 O LEU A 85 9.094 -1.727 -8.202 1.00 0.00 O ATOM 1262 CB LEU A 85 11.845 -2.627 -6.700 1.00 0.00 C ATOM 1263 CG LEU A 85 13.311 -2.291 -6.421 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.616 -2.424 -4.938 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.229 -3.187 -7.239 1.00 0.00 C ATOM 0 H LEU A 85 12.519 -0.709 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 85 11.872 -3.232 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.221 -1.990 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.663 -3.656 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 85 13.489 -1.257 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.663 -2.181 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.983 -1.739 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.421 -3.447 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.268 -2.934 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.049 -4.229 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.029 -3.041 -8.300 1.00 0.00 H new ATOM 1277 N PRO A 86 9.456 -3.944 -8.367 1.00 0.00 N ATOM 1278 CA PRO A 86 8.038 -4.302 -8.464 1.00 0.00 C ATOM 1279 C PRO A 86 7.293 -4.080 -7.151 1.00 0.00 C ATOM 1280 O PRO A 86 7.588 -4.702 -6.130 1.00 0.00 O ATOM 1281 CB PRO A 86 8.071 -5.791 -8.815 1.00 0.00 C ATOM 1282 CG PRO A 86 9.376 -6.277 -8.284 1.00 0.00 C ATOM 1283 CD PRO A 86 10.333 -5.125 -8.422 1.00 0.00 C ATOM 0 HA PRO A 86 7.512 -3.689 -9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.236 -6.323 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.999 -5.946 -9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.283 -6.585 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.726 -7.145 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.070 -5.116 -7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.885 -5.172 -9.360 1.00 0.00 H new ATOM 1291 N PRO A 87 6.305 -3.174 -7.177 1.00 0.00 N ATOM 1292 CA PRO A 87 5.497 -2.850 -5.997 1.00 0.00 C ATOM 1293 C PRO A 87 4.571 -3.994 -5.598 1.00 0.00 C ATOM 1294 O PRO A 87 4.471 -5.000 -6.300 1.00 0.00 O ATOM 1295 CB PRO A 87 4.683 -1.635 -6.447 1.00 0.00 C ATOM 1296 CG PRO A 87 4.608 -1.757 -7.930 1.00 0.00 C ATOM 1297 CD PRO A 87 5.900 -2.395 -8.359 1.00 0.00 C ATOM 0 HA PRO A 87 6.114 -2.664 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.689 -1.636 -5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.165 -0.704 -6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.754 -2.365 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.482 -0.780 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.763 -3.032 -9.233 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.648 -1.648 -8.624 1.00 0.00 H new ATOM 1305 N VAL A 88 3.894 -3.833 -4.465 1.00 0.00 N ATOM 1306 CA VAL A 88 2.974 -4.851 -3.973 1.00 0.00 C ATOM 1307 C VAL A 88 1.554 -4.306 -3.871 1.00 0.00 C ATOM 1308 O VAL A 88 1.297 -3.347 -3.142 1.00 0.00 O ATOM 1309 CB VAL A 88 3.409 -5.382 -2.594 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.447 -6.483 -2.748 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.946 -4.248 -1.733 1.00 0.00 C ATOM 0 H VAL A 88 3.966 -3.007 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 88 2.995 -5.670 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 88 2.537 -5.806 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.742 -6.845 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.023 -7.305 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.321 -6.089 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.249 -4.640 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.806 -3.793 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.168 -3.497 -1.594 1.00 0.00 H new ATOM 1321 N SER A 89 0.634 -4.923 -4.606 1.00 0.00 N ATOM 1322 CA SER A 89 -0.761 -4.498 -4.600 1.00 0.00 C ATOM 1323 C SER A 89 -1.591 -5.370 -3.665 1.00 0.00 C ATOM 1324 O SER A 89 -1.482 -6.597 -3.679 1.00 0.00 O ATOM 1325 CB SER A 89 -1.338 -4.554 -6.016 1.00 0.00 C ATOM 1326 OG SER A 89 -1.625 -5.889 -6.397 1.00 0.00 O ATOM 0 H SER A 89 0.830 -5.719 -5.213 1.00 0.00 H new ATOM 0 HA SER A 89 -0.801 -3.470 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.247 -3.955 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.629 -4.116 -6.719 1.00 0.00 H new ATOM 0 HG SER A 89 -1.994 -5.898 -7.305 1.00 0.00 H new ATOM 1332 N THR A 90 -2.423 -4.729 -2.850 1.00 0.00 N ATOM 1333 CA THR A 90 -3.272 -5.444 -1.906 1.00 0.00 C ATOM 1334 C THR A 90 -4.642 -4.786 -1.790 1.00 0.00 C ATOM 1335 O THR A 90 -4.751 -3.560 -1.745 1.00 0.00 O ATOM 1336 CB THR A 90 -2.627 -5.510 -0.508 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.358 -6.416 0.326 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.593 -4.133 0.137 1.00 0.00 C ATOM 0 H THR A 90 -2.527 -3.715 -2.825 1.00 0.00 H new ATOM 0 HA THR A 90 -3.390 -6.456 -2.292 1.00 0.00 H new ATOM 0 HB THR A 90 -1.603 -5.866 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.941 -6.454 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.134 -4.204 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.011 -3.454 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.610 -3.753 0.237 1.00 0.00 H new ATOM 1346 N SER A 91 -5.686 -5.607 -1.741 1.00 0.00 N ATOM 1347 CA SER A 91 -7.050 -5.104 -1.634 1.00 0.00 C ATOM 1348 C SER A 91 -7.531 -5.142 -0.187 1.00 0.00 C ATOM 1349 O SER A 91 -7.457 -6.177 0.477 1.00 0.00 O ATOM 1350 CB SER A 91 -7.991 -5.925 -2.518 1.00 0.00 C ATOM 1351 OG SER A 91 -7.761 -7.314 -2.354 1.00 0.00 O ATOM 0 H SER A 91 -5.613 -6.624 -1.774 1.00 0.00 H new ATOM 0 HA SER A 91 -7.056 -4.068 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.026 -5.692 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.846 -5.650 -3.563 1.00 0.00 H new ATOM 0 HG SER A 91 -7.622 -7.513 -1.404 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.025 -4.007 0.297 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.517 -3.909 1.666 1.00 0.00 C ATOM 1359 C PHE A 92 -9.877 -3.217 1.707 1.00 0.00 C ATOM 1360 O PHE A 92 -10.097 -2.214 1.027 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.517 -3.146 2.537 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.393 -1.694 2.175 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.625 -1.300 1.091 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.043 -0.722 2.918 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.508 0.035 0.754 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.931 0.614 2.586 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.161 0.994 1.504 1.00 0.00 C ATOM 0 H PHE A 92 -8.095 -3.142 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.631 -4.920 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.820 -3.227 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.538 -3.618 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.111 -2.046 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.644 -1.012 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.907 0.328 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.445 1.361 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.070 2.038 1.245 1.00 0.00 H new ATOM 1377 N THR A 93 -10.787 -3.761 2.509 1.00 0.00 N ATOM 1378 CA THR A 93 -12.125 -3.198 2.638 1.00 0.00 C ATOM 1379 C THR A 93 -12.293 -2.478 3.971 1.00 0.00 C ATOM 1380 O THR A 93 -11.864 -2.973 5.014 1.00 0.00 O ATOM 1381 CB THR A 93 -13.207 -4.288 2.516 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.001 -5.052 1.323 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.597 -3.671 2.496 1.00 0.00 C ATOM 0 H THR A 93 -10.622 -4.591 3.079 1.00 0.00 H new ATOM 0 HA THR A 93 -12.247 -2.483 1.825 1.00 0.00 H new ATOM 0 HB THR A 93 -13.130 -4.943 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.692 -5.744 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.344 -4.460 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.762 -3.115 3.419 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.683 -2.995 1.645 1.00 0.00 H new ATOM 1391 N THR A 94 -12.920 -1.307 3.931 1.00 0.00 N ATOM 1392 CA THR A 94 -13.144 -0.518 5.136 1.00 0.00 C ATOM 1393 C THR A 94 -14.385 -0.995 5.883 1.00 0.00 C ATOM 1394 O THR A 94 -15.238 -1.677 5.316 1.00 0.00 O ATOM 1395 CB THR A 94 -13.300 0.978 4.807 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.356 1.164 3.858 1.00 0.00 O ATOM 1397 CG2 THR A 94 -12.005 1.548 4.250 1.00 0.00 C ATOM 0 H THR A 94 -13.282 -0.884 3.077 1.00 0.00 H new ATOM 0 HA THR A 94 -12.268 -0.653 5.770 1.00 0.00 H new ATOM 0 HB THR A 94 -13.544 1.506 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.469 2.121 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.140 2.606 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.210 1.432 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.735 1.015 3.338 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.479 -0.631 7.158 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.620 -1.031 7.961 1.00 0.00 C ATOM 1407 C GLY A 95 -16.876 -0.259 7.609 1.00 0.00 C ATOM 1408 O GLY A 95 -17.040 0.188 6.474 1.00 0.00 O ATOM 0 H GLY A 95 -13.786 -0.067 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.802 -2.097 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.389 -0.881 9.016 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.766 -0.102 8.584 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.003 0.620 8.351 1.00 0.00 C ATOM 1414 C GLY A 96 -19.347 1.563 9.486 1.00 0.00 C ATOM 1415 O GLY A 96 -19.306 1.180 10.656 1.00 0.00 O ATOM 0 H GLY A 96 -17.652 -0.462 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.920 1.187 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.816 -0.093 8.216 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.685 2.801 9.143 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.036 3.804 10.143 1.00 0.00 C ATOM 1421 C LEU A 97 -21.170 3.310 11.034 1.00 0.00 C ATOM 1422 O LEU A 97 -22.125 2.696 10.557 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.440 5.112 9.461 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.338 5.831 8.681 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -19.927 6.944 7.829 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.285 6.383 9.630 1.00 0.00 C ATOM 0 H LEU A 97 -19.724 3.135 8.180 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.160 3.982 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.264 4.903 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.822 5.792 10.222 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.858 5.110 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.128 7.444 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.642 6.522 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.433 7.665 8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.509 6.891 9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.750 7.090 10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.841 5.564 10.196 1.00 0.00 H new