USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ 145:sc= 1 (180deg=0.677) USER MOD Set 1.2: A 88 THR OG1 : rot -165:sc= -1.5 USER MOD Set 2.1: A 77 THR OG1 : rot -129:sc= 1.22 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.841 K(o=2.1,f=-2.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.753 K(o=-0.75,f=-3.6!) USER MOD Single : A 60 GLN : amide:sc= -1.74! C(o=-1.7!,f=-5.4!) USER MOD Single : A 62 ASN : amide:sc= -4.26! C(o=-4.3!,f=-4.3!) USER MOD Single : A 64 GLN : amide:sc=-0.00524 K(o=-0.0052,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0838 K(o=-0.084,f=-1.9!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.543 4.417 7.153 1.00 0.00 N ATOM 86 CA GLU A 9 -9.942 4.621 8.460 1.00 0.00 C ATOM 87 C GLU A 9 -8.416 4.630 8.346 1.00 0.00 C ATOM 88 O GLU A 9 -7.781 3.577 8.373 1.00 0.00 O ATOM 89 CB GLU A 9 -10.411 3.555 9.452 1.00 0.00 C ATOM 90 CG GLU A 9 -9.291 3.182 10.426 1.00 0.00 C ATOM 91 CD GLU A 9 -9.864 2.651 11.742 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.957 2.047 11.683 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.196 2.861 12.777 1.00 0.00 O ATOM 0 HA GLU A 9 -10.265 5.590 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.273 3.924 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.737 2.667 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.648 2.427 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.669 4.055 10.622 1.00 0.00 H new ATOM 100 N LEU A 10 -7.871 5.832 8.221 1.00 0.00 N ATOM 101 CA LEU A 10 -6.432 5.992 8.103 1.00 0.00 C ATOM 102 C LEU A 10 -5.838 6.261 9.487 1.00 0.00 C ATOM 103 O LEU A 10 -6.051 7.328 10.061 1.00 0.00 O ATOM 104 CB LEU A 10 -6.096 7.070 7.069 1.00 0.00 C ATOM 105 CG LEU A 10 -6.747 6.906 5.694 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.142 7.880 4.682 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.661 5.455 5.216 1.00 0.00 C ATOM 0 H LEU A 10 -8.400 6.704 8.199 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.975 5.074 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.389 8.038 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.014 7.094 6.936 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.805 7.152 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.622 7.743 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.299 8.903 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.073 7.689 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.131 5.366 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.615 5.157 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.176 4.807 5.926 1.00 0.00 H new ATOM 119 N PHE A 11 -5.105 5.275 9.983 1.00 0.00 N ATOM 120 CA PHE A 11 -4.479 5.392 11.288 1.00 0.00 C ATOM 121 C PHE A 11 -2.971 5.146 11.198 1.00 0.00 C ATOM 122 O PHE A 11 -2.532 4.191 10.558 1.00 0.00 O ATOM 123 CB PHE A 11 -5.106 4.321 12.183 1.00 0.00 C ATOM 124 CG PHE A 11 -5.139 2.927 11.553 1.00 0.00 C ATOM 125 CD1 PHE A 11 -6.083 2.624 10.622 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.226 1.990 11.925 1.00 0.00 C ATOM 127 CE1 PHE A 11 -6.115 1.330 10.037 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.258 0.696 11.341 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.201 0.394 10.409 1.00 0.00 C ATOM 0 H PHE A 11 -4.931 4.391 9.504 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.633 6.395 11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.550 4.273 13.119 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.124 4.620 12.432 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.809 3.368 10.327 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.477 2.230 12.665 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.864 1.090 9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.533 -0.048 11.637 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.224 -0.590 9.964 1.00 0.00 H new ATOM 139 N PRO A 12 -2.201 6.047 11.864 1.00 0.00 N ATOM 140 CA PRO A 12 -0.752 5.937 11.864 1.00 0.00 C ATOM 141 C PRO A 12 -0.288 4.807 12.786 1.00 0.00 C ATOM 142 O PRO A 12 -0.766 4.685 13.913 1.00 0.00 O ATOM 143 CB PRO A 12 -0.254 7.304 12.304 1.00 0.00 C ATOM 144 CG PRO A 12 -1.436 7.982 12.977 1.00 0.00 C ATOM 145 CD PRO A 12 -2.686 7.190 12.631 1.00 0.00 C ATOM 0 HA PRO A 12 -0.350 5.677 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.586 7.211 12.992 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.096 7.885 11.451 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.292 8.016 14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.530 9.013 12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.213 6.869 13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.386 7.789 12.049 1.00 0.00 H new ATOM 153 N VAL A 13 0.637 4.010 12.272 1.00 0.00 N ATOM 154 CA VAL A 13 1.170 2.894 13.035 1.00 0.00 C ATOM 155 C VAL A 13 2.698 2.975 13.048 1.00 0.00 C ATOM 156 O VAL A 13 3.336 2.911 11.998 1.00 0.00 O ATOM 157 CB VAL A 13 0.647 1.573 12.467 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.418 0.384 13.042 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.855 1.426 12.718 1.00 0.00 C ATOM 0 H VAL A 13 1.031 4.115 11.337 1.00 0.00 H new ATOM 0 HA VAL A 13 0.832 2.943 14.070 1.00 0.00 H new ATOM 0 HB VAL A 13 0.808 1.585 11.389 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.026 -0.542 12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.474 0.479 12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.305 0.367 14.126 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.202 0.479 12.305 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.048 1.446 13.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.386 2.248 12.238 1.00 0.00 H new ATOM 169 N GLU A 14 3.241 3.115 14.249 1.00 0.00 N ATOM 170 CA GLU A 14 4.682 3.205 14.412 1.00 0.00 C ATOM 171 C GLU A 14 5.305 1.808 14.409 1.00 0.00 C ATOM 172 O GLU A 14 4.757 0.878 14.998 1.00 0.00 O ATOM 173 CB GLU A 14 5.042 3.963 15.692 1.00 0.00 C ATOM 174 CG GLU A 14 4.954 5.475 15.477 1.00 0.00 C ATOM 175 CD GLU A 14 4.025 6.122 16.507 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.864 5.665 16.589 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.496 7.058 17.187 1.00 0.00 O ATOM 0 H GLU A 14 2.709 3.168 15.118 1.00 0.00 H new ATOM 0 HA GLU A 14 5.089 3.765 13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.368 3.667 16.496 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.051 3.695 16.006 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.948 5.915 15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.588 5.682 14.471 1.00 0.00 H new ATOM 184 N LEU A 15 6.443 1.704 13.738 1.00 0.00 N ATOM 185 CA LEU A 15 7.147 0.436 13.650 1.00 0.00 C ATOM 186 C LEU A 15 8.650 0.681 13.798 1.00 0.00 C ATOM 187 O LEU A 15 9.179 1.657 13.269 1.00 0.00 O ATOM 188 CB LEU A 15 6.767 -0.299 12.363 1.00 0.00 C ATOM 189 CG LEU A 15 5.866 -1.524 12.531 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.517 -2.138 11.174 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.500 -2.546 13.477 1.00 0.00 C ATOM 0 H LEU A 15 6.895 2.477 13.250 1.00 0.00 H new ATOM 0 HA LEU A 15 6.849 -0.223 14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.267 0.407 11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.683 -0.613 11.863 1.00 0.00 H new ATOM 0 HG LEU A 15 4.931 -1.200 12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.876 -3.007 11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.994 -1.401 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.432 -2.444 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.839 -3.407 13.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.459 -2.871 13.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.655 -2.090 14.455 1.00 0.00 H new ATOM 203 N GLU A 16 9.296 -0.224 14.519 1.00 0.00 N ATOM 204 CA GLU A 16 10.728 -0.118 14.743 1.00 0.00 C ATOM 205 C GLU A 16 11.468 -1.214 13.973 1.00 0.00 C ATOM 206 O GLU A 16 11.424 -2.383 14.354 1.00 0.00 O ATOM 207 CB GLU A 16 11.056 -0.181 16.237 1.00 0.00 C ATOM 208 CG GLU A 16 11.404 1.206 16.780 1.00 0.00 C ATOM 209 CD GLU A 16 12.012 1.109 18.181 1.00 0.00 C ATOM 210 OE1 GLU A 16 11.216 1.053 19.143 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.260 1.093 18.258 1.00 0.00 O ATOM 0 H GLU A 16 8.854 -1.033 14.955 1.00 0.00 H new ATOM 0 HA GLU A 16 11.063 0.850 14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.204 -0.586 16.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.892 -0.860 16.401 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.107 1.698 16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.507 1.824 16.811 1.00 0.00 H new ATOM 218 N LYS A 17 12.131 -0.797 12.904 1.00 0.00 N ATOM 219 CA LYS A 17 12.879 -1.729 12.078 1.00 0.00 C ATOM 220 C LYS A 17 13.583 -2.749 12.975 1.00 0.00 C ATOM 221 O LYS A 17 13.828 -2.482 14.150 1.00 0.00 O ATOM 222 CB LYS A 17 13.827 -0.974 11.144 1.00 0.00 C ATOM 223 CG LYS A 17 13.100 -0.517 9.877 1.00 0.00 C ATOM 224 CD LYS A 17 14.072 0.141 8.895 1.00 0.00 C ATOM 225 CE LYS A 17 13.537 0.069 7.463 1.00 0.00 C ATOM 226 NZ LYS A 17 14.535 0.603 6.510 1.00 0.00 N ATOM 0 H LYS A 17 12.166 0.173 12.591 1.00 0.00 H new ATOM 0 HA LYS A 17 12.205 -2.288 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.241 -0.109 11.662 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.666 -1.616 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.619 -1.372 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.311 0.187 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.230 1.182 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.041 -0.354 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.299 -0.964 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.611 0.638 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.488 0.066 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.332 1.605 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.487 0.514 6.918 1.00 0.00 H new ATOM 240 N ASP A 18 13.887 -3.896 12.386 1.00 0.00 N ATOM 241 CA ASP A 18 14.558 -4.958 13.118 1.00 0.00 C ATOM 242 C ASP A 18 15.765 -5.442 12.313 1.00 0.00 C ATOM 243 O ASP A 18 15.994 -4.984 11.194 1.00 0.00 O ATOM 244 CB ASP A 18 13.625 -6.151 13.336 1.00 0.00 C ATOM 245 CG ASP A 18 12.229 -5.795 13.850 1.00 0.00 C ATOM 246 OD1 ASP A 18 12.093 -4.678 14.395 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.329 -6.647 13.686 1.00 0.00 O ATOM 0 H ASP A 18 13.681 -4.114 11.411 1.00 0.00 H new ATOM 0 HA ASP A 18 14.865 -4.560 14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.522 -6.690 12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.093 -6.834 14.044 1.00 0.00 H new ATOM 252 N GLU A 19 16.506 -6.362 12.913 1.00 0.00 N ATOM 253 CA GLU A 19 17.684 -6.914 12.266 1.00 0.00 C ATOM 254 C GLU A 19 17.409 -7.157 10.780 1.00 0.00 C ATOM 255 O GLU A 19 18.321 -7.091 9.958 1.00 0.00 O ATOM 256 CB GLU A 19 18.138 -8.201 12.957 1.00 0.00 C ATOM 257 CG GLU A 19 17.052 -9.277 12.880 1.00 0.00 C ATOM 258 CD GLU A 19 16.125 -9.208 14.094 1.00 0.00 C ATOM 259 OE1 GLU A 19 16.664 -9.211 15.222 1.00 0.00 O ATOM 260 OE2 GLU A 19 14.896 -9.154 13.868 1.00 0.00 O ATOM 0 H GLU A 19 16.313 -6.739 13.841 1.00 0.00 H new ATOM 0 HA GLU A 19 18.494 -6.190 12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.051 -8.567 12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.376 -7.993 14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.471 -9.148 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.515 -10.263 12.827 1.00 0.00 H new ATOM 267 N ASP A 20 16.148 -7.432 10.482 1.00 0.00 N ATOM 268 CA ASP A 20 15.741 -7.686 9.111 1.00 0.00 C ATOM 269 C ASP A 20 14.673 -6.668 8.703 1.00 0.00 C ATOM 270 O ASP A 20 13.624 -7.040 8.181 1.00 0.00 O ATOM 271 CB ASP A 20 15.141 -9.085 8.964 1.00 0.00 C ATOM 272 CG ASP A 20 15.202 -9.670 7.551 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.723 -8.977 6.628 1.00 0.00 O ATOM 274 OD2 ASP A 20 15.728 -10.798 7.426 1.00 0.00 O ATOM 0 H ASP A 20 15.394 -7.484 11.167 1.00 0.00 H new ATOM 0 HA ASP A 20 16.624 -7.604 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.661 -9.760 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.099 -9.052 9.283 1.00 0.00 H new ATOM 279 N GLY A 21 14.979 -5.404 8.958 1.00 0.00 N ATOM 280 CA GLY A 21 14.058 -4.330 8.624 1.00 0.00 C ATOM 281 C GLY A 21 12.717 -4.517 9.336 1.00 0.00 C ATOM 282 O GLY A 21 12.675 -4.962 10.482 1.00 0.00 O ATOM 0 H GLY A 21 15.851 -5.100 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.493 -3.372 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.901 -4.303 7.546 1.00 0.00 H new ATOM 286 N LEU A 22 11.654 -4.167 8.627 1.00 0.00 N ATOM 287 CA LEU A 22 10.314 -4.291 9.177 1.00 0.00 C ATOM 288 C LEU A 22 9.911 -5.766 9.199 1.00 0.00 C ATOM 289 O LEU A 22 9.566 -6.304 10.250 1.00 0.00 O ATOM 290 CB LEU A 22 9.336 -3.397 8.411 1.00 0.00 C ATOM 291 CG LEU A 22 9.842 -1.996 8.059 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.262 -1.523 6.725 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.554 -1.009 9.192 1.00 0.00 C ATOM 0 H LEU A 22 11.693 -3.798 7.677 1.00 0.00 H new ATOM 0 HA LEU A 22 10.291 -3.939 10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.059 -3.904 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.427 -3.295 9.004 1.00 0.00 H new ATOM 0 HG LEU A 22 10.925 -2.043 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.637 -0.525 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.560 -2.211 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.174 -1.495 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.923 -0.021 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.479 -0.959 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.054 -1.343 10.101 1.00 0.00 H new ATOM 305 N GLY A 23 9.967 -6.380 8.026 1.00 0.00 N ATOM 306 CA GLY A 23 9.612 -7.783 7.897 1.00 0.00 C ATOM 307 C GLY A 23 8.166 -7.941 7.423 1.00 0.00 C ATOM 308 O GLY A 23 7.396 -8.701 8.008 1.00 0.00 O ATOM 0 H GLY A 23 10.253 -5.931 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.285 -8.269 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.741 -8.284 8.856 1.00 0.00 H new ATOM 312 N ILE A 24 7.840 -7.211 6.366 1.00 0.00 N ATOM 313 CA ILE A 24 6.500 -7.260 5.806 1.00 0.00 C ATOM 314 C ILE A 24 6.587 -7.191 4.280 1.00 0.00 C ATOM 315 O ILE A 24 7.534 -6.628 3.734 1.00 0.00 O ATOM 316 CB ILE A 24 5.621 -6.170 6.422 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.469 -4.995 6.914 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.735 -6.741 7.531 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.602 -3.759 7.163 1.00 0.00 C ATOM 0 H ILE A 24 8.481 -6.582 5.883 1.00 0.00 H new ATOM 0 HA ILE A 24 6.017 -8.205 6.056 1.00 0.00 H new ATOM 0 HB ILE A 24 4.958 -5.787 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.984 -5.273 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.237 -4.762 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.120 -5.945 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.091 -7.517 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.362 -7.168 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.229 -2.939 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.107 -3.469 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.851 -3.988 7.919 1.00 0.00 H new ATOM 331 N SER A 25 5.586 -7.772 3.636 1.00 0.00 N ATOM 332 CA SER A 25 5.537 -7.784 2.184 1.00 0.00 C ATOM 333 C SER A 25 4.459 -6.817 1.689 1.00 0.00 C ATOM 334 O SER A 25 3.510 -6.517 2.411 1.00 0.00 O ATOM 335 CB SER A 25 5.271 -9.193 1.652 1.00 0.00 C ATOM 336 OG SER A 25 6.453 -9.989 1.633 1.00 0.00 O ATOM 0 H SER A 25 4.802 -8.238 4.093 1.00 0.00 H new ATOM 0 HA SER A 25 6.507 -7.461 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.517 -9.678 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.861 -9.128 0.644 1.00 0.00 H new ATOM 0 HG SER A 25 6.241 -10.882 1.289 1.00 0.00 H new ATOM 342 N ILE A 26 4.641 -6.357 0.460 1.00 0.00 N ATOM 343 CA ILE A 26 3.696 -5.431 -0.141 1.00 0.00 C ATOM 344 C ILE A 26 3.359 -5.899 -1.558 1.00 0.00 C ATOM 345 O ILE A 26 4.133 -6.631 -2.174 1.00 0.00 O ATOM 346 CB ILE A 26 4.234 -4.000 -0.077 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.530 -3.866 -0.880 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.408 -3.543 1.372 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.486 -2.636 -1.789 1.00 0.00 C ATOM 0 H ILE A 26 5.429 -6.608 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 26 2.762 -5.422 0.421 1.00 0.00 H new ATOM 0 HB ILE A 26 3.500 -3.338 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.378 -3.790 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.684 -4.762 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.792 -2.523 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.445 -3.577 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.111 -4.203 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.419 -2.564 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.652 -2.727 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.356 -1.740 -1.182 1.00 0.00 H new ATOM 361 N ILE A 27 2.204 -5.458 -2.034 1.00 0.00 N ATOM 362 CA ILE A 27 1.756 -5.823 -3.367 1.00 0.00 C ATOM 363 C ILE A 27 1.249 -4.574 -4.089 1.00 0.00 C ATOM 364 O ILE A 27 0.632 -3.704 -3.475 1.00 0.00 O ATOM 365 CB ILE A 27 0.726 -6.953 -3.295 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.183 -6.945 -4.526 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.074 -6.884 -1.992 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.954 -8.261 -4.646 1.00 0.00 C ATOM 0 H ILE A 27 1.565 -4.851 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 27 2.586 -6.216 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 27 1.261 -7.903 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.884 -6.113 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.415 -6.787 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.799 -7.698 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.604 -6.975 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.598 -5.930 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.593 -8.229 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.250 -9.088 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.570 -8.404 -3.758 1.00 0.00 H new ATOM 380 N GLY A 28 1.528 -4.524 -5.384 1.00 0.00 N ATOM 381 CA GLY A 28 1.108 -3.395 -6.197 1.00 0.00 C ATOM 382 C GLY A 28 -0.190 -3.710 -6.944 1.00 0.00 C ATOM 383 O GLY A 28 -0.229 -4.621 -7.770 1.00 0.00 O ATOM 0 H GLY A 28 2.040 -5.247 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.964 -2.520 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.892 -3.146 -6.912 1.00 0.00 H new ATOM 387 N MET A 29 -1.220 -2.940 -6.627 1.00 0.00 N ATOM 388 CA MET A 29 -2.515 -3.126 -7.259 1.00 0.00 C ATOM 389 C MET A 29 -3.103 -1.787 -7.709 1.00 0.00 C ATOM 390 O MET A 29 -2.751 -0.738 -7.171 1.00 0.00 O ATOM 391 CB MET A 29 -3.473 -3.797 -6.272 1.00 0.00 C ATOM 392 CG MET A 29 -2.895 -5.119 -5.761 1.00 0.00 C ATOM 393 SD MET A 29 -3.750 -6.492 -6.516 1.00 0.00 S ATOM 394 CE MET A 29 -4.633 -7.123 -5.099 1.00 0.00 C ATOM 0 H MET A 29 -1.184 -2.186 -5.941 1.00 0.00 H new ATOM 0 HA MET A 29 -2.382 -3.757 -8.138 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.662 -3.129 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.432 -3.978 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.831 -5.173 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.991 -5.172 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.223 -7.990 -5.395 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.921 -7.415 -4.327 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.295 -6.350 -4.709 1.00 0.00 H new ATOM 404 N GLY A 30 -3.988 -1.866 -8.692 1.00 0.00 N ATOM 405 CA GLY A 30 -4.628 -0.673 -9.220 1.00 0.00 C ATOM 406 C GLY A 30 -6.008 -0.467 -8.593 1.00 0.00 C ATOM 407 O GLY A 30 -6.964 -1.154 -8.948 1.00 0.00 O ATOM 0 H GLY A 30 -4.277 -2.737 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.002 0.197 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.725 -0.757 -10.302 1.00 0.00 H new ATOM 411 N VAL A 31 -6.067 0.483 -7.670 1.00 0.00 N ATOM 412 CA VAL A 31 -7.314 0.788 -6.990 1.00 0.00 C ATOM 413 C VAL A 31 -8.126 1.769 -7.838 1.00 0.00 C ATOM 414 O VAL A 31 -7.567 2.682 -8.444 1.00 0.00 O ATOM 415 CB VAL A 31 -7.027 1.311 -5.581 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.185 0.994 -4.632 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.709 0.748 -5.045 1.00 0.00 C ATOM 0 H VAL A 31 -5.272 1.051 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.915 -0.114 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.929 2.395 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.955 1.376 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.097 1.465 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.329 -0.085 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.529 1.135 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.766 -0.340 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.892 1.047 -5.702 1.00 0.00 H new ATOM 492 N GLU A 38 -6.771 5.805 -12.394 1.00 0.00 N ATOM 493 CA GLU A 38 -6.224 4.654 -11.697 1.00 0.00 C ATOM 494 C GLU A 38 -5.282 5.108 -10.580 1.00 0.00 C ATOM 495 O GLU A 38 -4.363 5.890 -10.818 1.00 0.00 O ATOM 496 CB GLU A 38 -5.508 3.713 -12.668 1.00 0.00 C ATOM 497 CG GLU A 38 -4.249 4.369 -13.239 1.00 0.00 C ATOM 498 CD GLU A 38 -3.577 3.460 -14.270 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.301 2.296 -13.906 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.354 3.949 -15.398 1.00 0.00 O ATOM 0 HA GLU A 38 -7.049 4.101 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.240 2.790 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.182 3.442 -13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.509 5.321 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.550 4.588 -12.431 1.00 0.00 H new ATOM 507 N LYS A 39 -5.544 4.599 -9.385 1.00 0.00 N ATOM 508 CA LYS A 39 -4.731 4.942 -8.231 1.00 0.00 C ATOM 509 C LYS A 39 -4.132 3.666 -7.636 1.00 0.00 C ATOM 510 O LYS A 39 -4.787 2.973 -6.859 1.00 0.00 O ATOM 511 CB LYS A 39 -5.543 5.766 -7.229 1.00 0.00 C ATOM 512 CG LYS A 39 -5.425 7.262 -7.526 1.00 0.00 C ATOM 513 CD LYS A 39 -4.685 7.987 -6.401 1.00 0.00 C ATOM 514 CE LYS A 39 -4.978 9.489 -6.429 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.279 9.775 -5.783 1.00 0.00 N ATOM 0 H LYS A 39 -6.308 3.952 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.897 5.577 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.590 5.465 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.192 5.564 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.896 7.409 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.419 7.692 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.984 7.573 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.612 7.820 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.183 10.030 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.991 9.844 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.463 10.798 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.036 9.274 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.253 9.454 -4.794 1.00 0.00 H new ATOM 529 N LEU A 40 -2.895 3.395 -8.023 1.00 0.00 N ATOM 530 CA LEU A 40 -2.201 2.214 -7.537 1.00 0.00 C ATOM 531 C LEU A 40 -2.237 2.200 -6.008 1.00 0.00 C ATOM 532 O LEU A 40 -1.926 3.202 -5.366 1.00 0.00 O ATOM 533 CB LEU A 40 -0.787 2.146 -8.120 1.00 0.00 C ATOM 534 CG LEU A 40 -0.309 0.761 -8.559 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.101 -0.156 -7.352 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.267 0.150 -9.585 1.00 0.00 C ATOM 0 H LEU A 40 -2.355 3.972 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.705 1.309 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.737 2.815 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.090 2.530 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 40 0.659 0.873 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.239 -1.134 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.648 0.278 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.042 -0.266 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.904 -0.834 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.259 0.054 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.321 0.795 -10.462 1.00 0.00 H new ATOM 548 N GLY A 41 -2.619 1.052 -5.468 1.00 0.00 N ATOM 549 CA GLY A 41 -2.699 0.893 -4.026 1.00 0.00 C ATOM 550 C GLY A 41 -1.670 -0.123 -3.527 1.00 0.00 C ATOM 551 O GLY A 41 -1.690 -1.284 -3.935 1.00 0.00 O ATOM 0 H GLY A 41 -2.877 0.223 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.530 1.854 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.701 0.567 -3.748 1.00 0.00 H new ATOM 555 N ILE A 42 -0.794 0.350 -2.653 1.00 0.00 N ATOM 556 CA ILE A 42 0.241 -0.503 -2.094 1.00 0.00 C ATOM 557 C ILE A 42 -0.328 -1.275 -0.902 1.00 0.00 C ATOM 558 O ILE A 42 -0.419 -0.739 0.202 1.00 0.00 O ATOM 559 CB ILE A 42 1.488 0.318 -1.757 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.848 1.264 -2.905 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.657 -0.592 -1.376 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.134 0.484 -4.189 1.00 0.00 C ATOM 0 H ILE A 42 -0.780 1.313 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 42 0.563 -1.242 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 42 1.265 0.937 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.029 1.963 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.722 1.856 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.530 0.017 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.385 -1.188 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.890 -1.254 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.387 1.180 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.969 -0.197 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.250 -0.088 -4.472 1.00 0.00 H new ATOM 574 N PHE A 43 -0.695 -2.520 -1.165 1.00 0.00 N ATOM 575 CA PHE A 43 -1.253 -3.371 -0.127 1.00 0.00 C ATOM 576 C PHE A 43 -0.191 -4.319 0.434 1.00 0.00 C ATOM 577 O PHE A 43 0.861 -4.509 -0.175 1.00 0.00 O ATOM 578 CB PHE A 43 -2.365 -4.197 -0.776 1.00 0.00 C ATOM 579 CG PHE A 43 -3.510 -3.359 -1.348 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.578 -3.044 -0.567 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.460 -2.928 -2.637 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.641 -2.266 -1.099 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.522 -2.150 -3.168 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.591 -1.835 -2.388 1.00 0.00 C ATOM 0 H PHE A 43 -0.617 -2.961 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.627 -2.760 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.936 -4.801 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.769 -4.888 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.618 -3.385 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.612 -3.178 -3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.490 -2.017 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.481 -1.808 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.399 -1.243 -2.792 1.00 0.00 H new ATOM 594 N VAL A 44 -0.503 -4.888 1.589 1.00 0.00 N ATOM 595 CA VAL A 44 0.411 -5.811 2.239 1.00 0.00 C ATOM 596 C VAL A 44 0.114 -7.235 1.765 1.00 0.00 C ATOM 597 O VAL A 44 -0.925 -7.802 2.101 1.00 0.00 O ATOM 598 CB VAL A 44 0.318 -5.656 3.759 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.876 -6.891 4.471 1.00 0.00 C ATOM 600 CG2 VAL A 44 1.032 -4.386 4.225 1.00 0.00 C ATOM 0 H VAL A 44 -1.376 -4.728 2.091 1.00 0.00 H new ATOM 0 HA VAL A 44 1.441 -5.585 1.964 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.736 -5.564 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.798 -6.755 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.306 -7.771 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.922 -7.027 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.951 -4.300 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.084 -4.435 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.571 -3.517 3.756 1.00 0.00 H new ATOM 610 N LYS A 45 1.046 -7.773 0.991 1.00 0.00 N ATOM 611 CA LYS A 45 0.897 -9.120 0.466 1.00 0.00 C ATOM 612 C LYS A 45 0.811 -10.109 1.630 1.00 0.00 C ATOM 613 O LYS A 45 -0.043 -10.994 1.636 1.00 0.00 O ATOM 614 CB LYS A 45 2.017 -9.435 -0.527 1.00 0.00 C ATOM 615 CG LYS A 45 1.942 -10.890 -0.995 1.00 0.00 C ATOM 616 CD LYS A 45 0.672 -11.138 -1.811 1.00 0.00 C ATOM 617 CE LYS A 45 0.806 -12.401 -2.663 1.00 0.00 C ATOM 618 NZ LYS A 45 -0.526 -12.877 -3.100 1.00 0.00 N ATOM 0 H LYS A 45 1.907 -7.300 0.715 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.032 -9.209 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.944 -8.769 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.984 -9.249 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.818 -11.128 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.960 -11.555 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.182 -11.236 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.475 -10.280 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.428 -12.195 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.307 -13.181 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.416 -13.735 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.108 -13.093 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.991 -12.137 -3.664 1.00 0.00 H new ATOM 632 N THR A 46 1.708 -9.926 2.588 1.00 0.00 N ATOM 633 CA THR A 46 1.744 -10.791 3.755 1.00 0.00 C ATOM 634 C THR A 46 2.698 -10.226 4.809 1.00 0.00 C ATOM 635 O THR A 46 3.420 -9.265 4.546 1.00 0.00 O ATOM 636 CB THR A 46 2.119 -12.199 3.288 1.00 0.00 C ATOM 637 OG1 THR A 46 2.324 -12.923 4.498 1.00 0.00 O ATOM 638 CG2 THR A 46 3.482 -12.241 2.593 1.00 0.00 C ATOM 0 H THR A 46 2.415 -9.191 2.580 1.00 0.00 H new ATOM 0 HA THR A 46 0.769 -10.842 4.240 1.00 0.00 H new ATOM 0 HB THR A 46 1.353 -12.572 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.569 -13.848 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.700 -13.262 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.465 -11.591 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.253 -11.900 3.284 1.00 0.00 H new ATOM 646 N VAL A 47 2.671 -10.846 5.979 1.00 0.00 N ATOM 647 CA VAL A 47 3.524 -10.416 7.074 1.00 0.00 C ATOM 648 C VAL A 47 4.382 -11.595 7.539 1.00 0.00 C ATOM 649 O VAL A 47 3.854 -12.638 7.921 1.00 0.00 O ATOM 650 CB VAL A 47 2.674 -9.816 8.196 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.543 -9.428 9.394 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.868 -8.617 7.692 1.00 0.00 C ATOM 0 H VAL A 47 2.072 -11.643 6.193 1.00 0.00 H new ATOM 0 HA VAL A 47 4.203 -9.630 6.743 1.00 0.00 H new ATOM 0 HB VAL A 47 1.969 -10.578 8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.915 -9.004 10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.052 -10.313 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.283 -8.690 9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.273 -8.209 8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.549 -7.851 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.207 -8.936 6.886 1.00 0.00 H new ATOM 662 N THR A 48 5.689 -11.389 7.491 1.00 0.00 N ATOM 663 CA THR A 48 6.625 -12.422 7.903 1.00 0.00 C ATOM 664 C THR A 48 6.267 -12.941 9.297 1.00 0.00 C ATOM 665 O THR A 48 5.934 -12.160 10.187 1.00 0.00 O ATOM 666 CB THR A 48 8.038 -11.842 7.814 1.00 0.00 C ATOM 667 OG1 THR A 48 8.425 -12.077 6.463 1.00 0.00 O ATOM 668 CG2 THR A 48 9.052 -12.642 8.636 1.00 0.00 C ATOM 0 H THR A 48 6.123 -10.522 7.173 1.00 0.00 H new ATOM 0 HA THR A 48 6.572 -13.289 7.245 1.00 0.00 H new ATOM 0 HB THR A 48 8.028 -10.807 8.157 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.330 -11.730 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.038 -12.188 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.754 -12.639 9.684 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.087 -13.669 8.271 1.00 0.00 H new ATOM 676 N GLU A 49 6.349 -14.255 9.443 1.00 0.00 N ATOM 677 CA GLU A 49 6.038 -14.888 10.714 1.00 0.00 C ATOM 678 C GLU A 49 7.112 -14.553 11.750 1.00 0.00 C ATOM 679 O GLU A 49 8.137 -15.228 11.827 1.00 0.00 O ATOM 680 CB GLU A 49 5.886 -16.401 10.550 1.00 0.00 C ATOM 681 CG GLU A 49 5.182 -17.015 11.762 1.00 0.00 C ATOM 682 CD GLU A 49 4.925 -18.509 11.548 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.819 -19.297 11.924 1.00 0.00 O ATOM 684 OE2 GLU A 49 3.841 -18.827 11.014 1.00 0.00 O ATOM 0 H GLU A 49 6.626 -14.899 8.702 1.00 0.00 H new ATOM 0 HA GLU A 49 5.084 -14.497 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.317 -16.617 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.868 -16.858 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.793 -16.871 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.237 -16.501 11.937 1.00 0.00 H new ATOM 691 N GLY A 50 6.841 -13.510 12.521 1.00 0.00 N ATOM 692 CA GLY A 50 7.772 -13.078 13.550 1.00 0.00 C ATOM 693 C GLY A 50 8.567 -11.854 13.090 1.00 0.00 C ATOM 694 O GLY A 50 9.768 -11.760 13.339 1.00 0.00 O ATOM 0 H GLY A 50 5.990 -12.951 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.226 -12.840 14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.456 -13.891 13.791 1.00 0.00 H new ATOM 698 N GLY A 51 7.865 -10.947 12.427 1.00 0.00 N ATOM 699 CA GLY A 51 8.491 -9.733 11.930 1.00 0.00 C ATOM 700 C GLY A 51 8.192 -8.547 12.849 1.00 0.00 C ATOM 701 O GLY A 51 7.630 -8.720 13.930 1.00 0.00 O ATOM 0 H GLY A 51 6.869 -11.028 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.569 -9.879 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.130 -9.519 10.924 1.00 0.00 H new ATOM 705 N ALA A 52 8.582 -7.368 12.387 1.00 0.00 N ATOM 706 CA ALA A 52 8.363 -6.153 13.154 1.00 0.00 C ATOM 707 C ALA A 52 6.888 -5.759 13.066 1.00 0.00 C ATOM 708 O ALA A 52 6.273 -5.412 14.073 1.00 0.00 O ATOM 709 CB ALA A 52 9.293 -5.052 12.641 1.00 0.00 C ATOM 0 H ALA A 52 9.049 -7.228 11.491 1.00 0.00 H new ATOM 0 HA ALA A 52 8.598 -6.315 14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.129 -4.140 13.216 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.330 -5.370 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.084 -4.860 11.589 1.00 0.00 H new ATOM 715 N ALA A 53 6.362 -5.824 11.851 1.00 0.00 N ATOM 716 CA ALA A 53 4.970 -5.478 11.619 1.00 0.00 C ATOM 717 C ALA A 53 4.071 -6.539 12.257 1.00 0.00 C ATOM 718 O ALA A 53 2.969 -6.233 12.711 1.00 0.00 O ATOM 719 CB ALA A 53 4.724 -5.334 10.116 1.00 0.00 C ATOM 0 H ALA A 53 6.875 -6.111 11.017 1.00 0.00 H new ATOM 0 HA ALA A 53 4.730 -4.521 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.680 -5.074 9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.365 -4.548 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.952 -6.277 9.618 1.00 0.00 H new ATOM 725 N GLN A 54 4.576 -7.764 12.273 1.00 0.00 N ATOM 726 CA GLN A 54 3.832 -8.872 12.849 1.00 0.00 C ATOM 727 C GLN A 54 3.742 -8.718 14.368 1.00 0.00 C ATOM 728 O GLN A 54 2.656 -8.526 14.913 1.00 0.00 O ATOM 729 CB GLN A 54 4.465 -10.212 12.470 1.00 0.00 C ATOM 730 CG GLN A 54 3.401 -11.304 12.341 1.00 0.00 C ATOM 731 CD GLN A 54 3.161 -11.996 13.685 1.00 0.00 C ATOM 732 OE1 GLN A 54 2.794 -11.381 14.672 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.387 -13.307 13.666 1.00 0.00 N ATOM 0 H GLN A 54 5.491 -8.014 11.897 1.00 0.00 H new ATOM 0 HA GLN A 54 2.821 -8.857 12.442 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.003 -10.110 11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.196 -10.499 13.225 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.469 -10.868 11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.717 -12.039 11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.693 -13.759 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.254 -13.860 14.513 1.00 0.00 H new ATOM 742 N ARG A 55 4.898 -8.809 15.010 1.00 0.00 N ATOM 743 CA ARG A 55 4.963 -8.682 16.456 1.00 0.00 C ATOM 744 C ARG A 55 4.028 -7.569 16.934 1.00 0.00 C ATOM 745 O ARG A 55 3.309 -7.737 17.918 1.00 0.00 O ATOM 746 CB ARG A 55 6.389 -8.375 16.918 1.00 0.00 C ATOM 747 CG ARG A 55 7.223 -9.654 17.011 1.00 0.00 C ATOM 748 CD ARG A 55 8.523 -9.407 17.778 1.00 0.00 C ATOM 749 NE ARG A 55 9.556 -8.872 16.864 1.00 0.00 N ATOM 750 CZ ARG A 55 10.772 -8.467 17.257 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.113 -8.535 18.551 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.645 -7.996 16.357 1.00 0.00 N ATOM 0 H ARG A 55 5.797 -8.969 14.555 1.00 0.00 H new ATOM 0 HA ARG A 55 4.650 -9.633 16.887 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.859 -7.680 16.222 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.362 -7.883 17.890 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.646 -10.433 17.509 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.451 -10.017 16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.347 -8.704 18.592 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.871 -10.336 18.229 1.00 0.00 H new ATOM 0 HE ARG A 55 9.329 -8.807 15.872 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.448 -8.895 19.236 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.038 -8.227 18.852 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.385 -7.945 15.372 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.570 -7.688 16.657 1.00 0.00 H new ATOM 766 N ASP A 56 4.069 -6.457 16.215 1.00 0.00 N ATOM 767 CA ASP A 56 3.234 -5.316 16.553 1.00 0.00 C ATOM 768 C ASP A 56 1.781 -5.776 16.690 1.00 0.00 C ATOM 769 O ASP A 56 1.155 -5.565 17.728 1.00 0.00 O ATOM 770 CB ASP A 56 3.291 -4.248 15.459 1.00 0.00 C ATOM 771 CG ASP A 56 2.802 -2.862 15.883 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.606 -2.678 17.104 1.00 0.00 O ATOM 773 OD2 ASP A 56 2.635 -2.018 14.977 1.00 0.00 O ATOM 0 H ASP A 56 4.667 -6.321 15.400 1.00 0.00 H new ATOM 0 HA ASP A 56 3.602 -4.894 17.488 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.320 -4.162 15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.693 -4.584 14.612 1.00 0.00 H new ATOM 778 N GLY A 57 1.287 -6.395 15.628 1.00 0.00 N ATOM 779 CA GLY A 57 -0.080 -6.886 15.617 1.00 0.00 C ATOM 780 C GLY A 57 -1.029 -5.853 15.006 1.00 0.00 C ATOM 781 O GLY A 57 -2.221 -6.114 14.851 1.00 0.00 O ATOM 0 H GLY A 57 1.809 -6.568 14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.132 -7.814 15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.395 -7.118 16.634 1.00 0.00 H new ATOM 785 N ARG A 58 -0.464 -4.701 14.675 1.00 0.00 N ATOM 786 CA ARG A 58 -1.244 -3.627 14.084 1.00 0.00 C ATOM 787 C ARG A 58 -1.408 -3.855 12.580 1.00 0.00 C ATOM 788 O ARG A 58 -2.519 -4.073 12.099 1.00 0.00 O ATOM 789 CB ARG A 58 -0.579 -2.269 14.318 1.00 0.00 C ATOM 790 CG ARG A 58 -1.366 -1.440 15.335 1.00 0.00 C ATOM 791 CD ARG A 58 -2.867 -1.496 15.044 1.00 0.00 C ATOM 792 NE ARG A 58 -3.095 -1.656 13.590 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.248 -2.075 13.052 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.285 -2.379 13.845 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.365 -2.191 11.723 1.00 0.00 N ATOM 0 H ARG A 58 0.525 -4.488 14.805 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.223 -3.626 14.563 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.440 -2.416 14.675 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.512 -1.726 13.375 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.173 -1.813 16.341 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.025 -0.405 15.308 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.320 -2.327 15.585 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.349 -0.585 15.398 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.326 -1.433 12.958 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.196 -2.291 14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.163 -2.698 13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.576 -1.960 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.243 -2.510 11.314 1.00 0.00 H new ATOM 809 N ILE A 59 -0.285 -3.797 11.880 1.00 0.00 N ATOM 810 CA ILE A 59 -0.290 -3.994 10.440 1.00 0.00 C ATOM 811 C ILE A 59 -0.652 -5.448 10.130 1.00 0.00 C ATOM 812 O ILE A 59 0.009 -6.371 10.605 1.00 0.00 O ATOM 813 CB ILE A 59 1.043 -3.550 9.834 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.185 -2.027 9.879 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.210 -4.099 8.415 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.642 -1.619 10.106 1.00 0.00 C ATOM 0 H ILE A 59 0.635 -3.616 12.283 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.051 -3.369 9.973 1.00 0.00 H new ATOM 0 HB ILE A 59 1.849 -3.967 10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.824 -1.597 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.562 -1.623 10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.165 -3.769 8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.184 -5.188 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.400 -3.731 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.715 -0.532 10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.992 -2.031 11.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.258 -2.003 9.293 1.00 0.00 H new ATOM 828 N GLN A 60 -1.700 -5.607 9.336 1.00 0.00 N ATOM 829 CA GLN A 60 -2.158 -6.933 8.957 1.00 0.00 C ATOM 830 C GLN A 60 -1.939 -7.163 7.460 1.00 0.00 C ATOM 831 O GLN A 60 -1.520 -6.255 6.744 1.00 0.00 O ATOM 832 CB GLN A 60 -3.627 -7.135 9.334 1.00 0.00 C ATOM 833 CG GLN A 60 -4.015 -6.250 10.521 1.00 0.00 C ATOM 834 CD GLN A 60 -3.364 -6.749 11.812 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.563 -7.669 11.819 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.754 -6.094 12.902 1.00 0.00 N ATOM 0 H GLN A 60 -2.246 -4.839 8.944 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.572 -7.669 9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.261 -6.901 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.802 -8.182 9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.708 -5.222 10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.099 -6.243 10.635 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.428 -5.333 12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.379 -6.353 13.814 1.00 0.00 H new ATOM 845 N VAL A 61 -2.234 -8.382 7.032 1.00 0.00 N ATOM 846 CA VAL A 61 -2.074 -8.742 5.633 1.00 0.00 C ATOM 847 C VAL A 61 -3.250 -8.182 4.830 1.00 0.00 C ATOM 848 O VAL A 61 -4.362 -8.073 5.344 1.00 0.00 O ATOM 849 CB VAL A 61 -1.926 -10.259 5.497 1.00 0.00 C ATOM 850 CG1 VAL A 61 -1.992 -10.687 4.030 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.632 -10.745 6.153 1.00 0.00 C ATOM 0 H VAL A 61 -2.583 -9.132 7.629 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.163 -8.302 5.227 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.761 -10.725 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.884 -11.769 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.952 -10.390 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.187 -10.206 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.552 -11.826 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.221 -10.266 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.643 -10.489 7.212 1.00 0.00 H new ATOM 861 N ASN A 62 -2.963 -7.841 3.582 1.00 0.00 N ATOM 862 CA ASN A 62 -3.982 -7.294 2.703 1.00 0.00 C ATOM 863 C ASN A 62 -4.226 -5.827 3.061 1.00 0.00 C ATOM 864 O ASN A 62 -5.056 -5.163 2.442 1.00 0.00 O ATOM 865 CB ASN A 62 -5.306 -8.045 2.860 1.00 0.00 C ATOM 866 CG ASN A 62 -5.076 -9.557 2.914 1.00 0.00 C ATOM 867 OD1 ASN A 62 -4.800 -10.205 1.917 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.205 -10.081 4.129 1.00 0.00 N ATOM 0 H ASN A 62 -2.039 -7.933 3.159 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.630 -7.394 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.808 -7.717 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.966 -7.804 2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.071 -11.082 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.438 -9.482 4.921 1.00 0.00 H new ATOM 875 N ASP A 63 -3.487 -5.364 4.059 1.00 0.00 N ATOM 876 CA ASP A 63 -3.612 -3.988 4.507 1.00 0.00 C ATOM 877 C ASP A 63 -3.233 -3.047 3.362 1.00 0.00 C ATOM 878 O ASP A 63 -2.734 -3.490 2.328 1.00 0.00 O ATOM 879 CB ASP A 63 -2.675 -3.704 5.682 1.00 0.00 C ATOM 880 CG ASP A 63 -3.279 -3.953 7.066 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.409 -4.487 7.104 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.598 -3.604 8.054 1.00 0.00 O ATOM 0 H ASP A 63 -2.800 -5.918 4.570 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.643 -3.828 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.784 -4.323 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.350 -2.665 5.625 1.00 0.00 H new ATOM 887 N GLN A 64 -3.483 -1.765 3.584 1.00 0.00 N ATOM 888 CA GLN A 64 -3.174 -0.758 2.583 1.00 0.00 C ATOM 889 C GLN A 64 -2.368 0.382 3.209 1.00 0.00 C ATOM 890 O GLN A 64 -2.893 1.148 4.017 1.00 0.00 O ATOM 891 CB GLN A 64 -4.450 -0.230 1.924 1.00 0.00 C ATOM 892 CG GLN A 64 -4.119 0.674 0.735 1.00 0.00 C ATOM 893 CD GLN A 64 -5.287 1.610 0.416 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.395 1.450 0.901 1.00 0.00 O ATOM 895 NE2 GLN A 64 -4.978 2.592 -0.426 1.00 0.00 N ATOM 0 H GLN A 64 -3.896 -1.400 4.442 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.568 -1.221 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.064 -1.066 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.038 0.325 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.228 1.261 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.889 0.063 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.030 2.668 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.689 3.269 -0.703 1.00 0.00 H new ATOM 904 N ILE A 65 -1.107 0.460 2.813 1.00 0.00 N ATOM 905 CA ILE A 65 -0.223 1.494 3.325 1.00 0.00 C ATOM 906 C ILE A 65 -0.472 2.796 2.561 1.00 0.00 C ATOM 907 O ILE A 65 0.187 3.066 1.558 1.00 0.00 O ATOM 908 CB ILE A 65 1.232 1.024 3.282 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.409 -0.285 4.054 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.176 2.118 3.786 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.513 -1.143 3.433 1.00 0.00 C ATOM 0 H ILE A 65 -0.675 -0.176 2.143 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.438 1.694 4.375 1.00 0.00 H new ATOM 0 HB ILE A 65 1.495 0.823 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.654 -0.068 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.471 -0.840 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.204 1.759 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.076 3.003 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.921 2.373 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.618 -2.067 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.254 -1.379 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.455 -0.595 3.454 1.00 0.00 H new ATOM 923 N VAL A 66 -1.424 3.567 3.064 1.00 0.00 N ATOM 924 CA VAL A 66 -1.768 4.834 2.441 1.00 0.00 C ATOM 925 C VAL A 66 -0.569 5.780 2.524 1.00 0.00 C ATOM 926 O VAL A 66 -0.282 6.509 1.576 1.00 0.00 O ATOM 927 CB VAL A 66 -3.030 5.410 3.088 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.467 6.697 2.386 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.160 4.379 3.097 1.00 0.00 C ATOM 0 H VAL A 66 -1.968 3.339 3.896 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.997 4.691 1.385 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.794 5.657 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.366 7.086 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.670 7.437 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.677 6.486 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.045 4.813 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.394 4.087 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.847 3.501 3.662 1.00 0.00 H new ATOM 939 N GLU A 67 0.100 5.738 3.667 1.00 0.00 N ATOM 940 CA GLU A 67 1.262 6.583 3.886 1.00 0.00 C ATOM 941 C GLU A 67 2.312 5.837 4.712 1.00 0.00 C ATOM 942 O GLU A 67 1.990 4.878 5.413 1.00 0.00 O ATOM 943 CB GLU A 67 0.865 7.897 4.561 1.00 0.00 C ATOM 944 CG GLU A 67 2.051 8.510 5.307 1.00 0.00 C ATOM 945 CD GLU A 67 1.634 9.780 6.051 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.583 10.837 5.386 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.375 9.666 7.269 1.00 0.00 O ATOM 0 H GLU A 67 -0.140 5.132 4.451 1.00 0.00 H new ATOM 0 HA GLU A 67 1.697 6.828 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.500 8.599 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.045 7.719 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.454 7.785 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.848 8.743 4.601 1.00 0.00 H new ATOM 954 N VAL A 68 3.546 6.306 4.603 1.00 0.00 N ATOM 955 CA VAL A 68 4.645 5.696 5.332 1.00 0.00 C ATOM 956 C VAL A 68 5.622 6.785 5.780 1.00 0.00 C ATOM 957 O VAL A 68 6.201 7.484 4.950 1.00 0.00 O ATOM 958 CB VAL A 68 5.307 4.616 4.473 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.818 4.837 4.382 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.989 3.218 5.008 1.00 0.00 C ATOM 0 H VAL A 68 3.809 7.101 4.021 1.00 0.00 H new ATOM 0 HA VAL A 68 4.278 5.199 6.230 1.00 0.00 H new ATOM 0 HB VAL A 68 4.896 4.691 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.264 4.056 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.017 5.810 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.252 4.803 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.471 2.469 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.358 3.127 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.910 3.061 4.997 1.00 0.00 H new ATOM 970 N ASP A 69 5.774 6.895 7.091 1.00 0.00 N ATOM 971 CA ASP A 69 6.671 7.888 7.659 1.00 0.00 C ATOM 972 C ASP A 69 6.336 9.263 7.079 1.00 0.00 C ATOM 973 O ASP A 69 7.169 10.168 7.095 1.00 0.00 O ATOM 974 CB ASP A 69 8.128 7.573 7.318 1.00 0.00 C ATOM 975 CG ASP A 69 9.006 7.199 8.514 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.436 7.070 9.619 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.228 7.051 8.297 1.00 0.00 O ATOM 0 H ASP A 69 5.292 6.314 7.776 1.00 0.00 H new ATOM 0 HA ASP A 69 6.544 7.877 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.148 6.752 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.565 8.440 6.823 1.00 0.00 H new ATOM 982 N GLY A 70 5.114 9.378 6.579 1.00 0.00 N ATOM 983 CA GLY A 70 4.659 10.627 5.994 1.00 0.00 C ATOM 984 C GLY A 70 4.551 10.514 4.472 1.00 0.00 C ATOM 985 O GLY A 70 3.754 11.212 3.848 1.00 0.00 O ATOM 0 H GLY A 70 4.425 8.626 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.689 10.896 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.351 11.428 6.254 1.00 0.00 H new ATOM 989 N ILE A 71 5.366 9.627 3.918 1.00 0.00 N ATOM 990 CA ILE A 71 5.372 9.413 2.481 1.00 0.00 C ATOM 991 C ILE A 71 4.035 8.803 2.055 1.00 0.00 C ATOM 992 O ILE A 71 3.524 7.897 2.711 1.00 0.00 O ATOM 993 CB ILE A 71 6.587 8.579 2.069 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.884 9.370 2.256 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.435 8.058 0.639 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.102 8.522 1.887 1.00 0.00 C ATOM 0 H ILE A 71 6.026 9.049 4.438 1.00 0.00 H new ATOM 0 HA ILE A 71 5.472 10.362 1.955 1.00 0.00 H new ATOM 0 HB ILE A 71 6.642 7.710 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.860 10.267 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.967 9.700 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.312 7.469 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.544 7.434 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.341 8.900 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.010 9.108 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.137 7.639 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.028 8.214 0.844 1.00 0.00 H new ATOM 1008 N SER A 72 3.506 9.325 0.957 1.00 0.00 N ATOM 1009 CA SER A 72 2.239 8.844 0.436 1.00 0.00 C ATOM 1010 C SER A 72 2.482 7.740 -0.595 1.00 0.00 C ATOM 1011 O SER A 72 3.202 7.945 -1.572 1.00 0.00 O ATOM 1012 CB SER A 72 1.431 9.983 -0.188 1.00 0.00 C ATOM 1013 OG SER A 72 0.266 9.508 -0.858 1.00 0.00 O ATOM 0 H SER A 72 3.933 10.076 0.415 1.00 0.00 H new ATOM 0 HA SER A 72 1.661 8.437 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.139 10.689 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.058 10.528 -0.894 1.00 0.00 H new ATOM 0 HG SER A 72 -0.223 10.266 -1.241 1.00 0.00 H new ATOM 1019 N LEU A 73 1.869 6.593 -0.343 1.00 0.00 N ATOM 1020 CA LEU A 73 2.010 5.456 -1.238 1.00 0.00 C ATOM 1021 C LEU A 73 0.700 5.246 -2.000 1.00 0.00 C ATOM 1022 O LEU A 73 0.241 4.115 -2.152 1.00 0.00 O ATOM 1023 CB LEU A 73 2.477 4.221 -0.465 1.00 0.00 C ATOM 1024 CG LEU A 73 3.778 4.376 0.325 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.128 3.083 1.064 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.918 4.845 -0.582 1.00 0.00 C ATOM 0 H LEU A 73 1.273 6.426 0.468 1.00 0.00 H new ATOM 0 HA LEU A 73 2.783 5.650 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.687 3.930 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.600 3.400 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 73 3.629 5.148 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.057 3.220 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.326 2.832 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.251 2.274 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.831 4.947 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.076 4.114 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.660 5.808 -1.022 1.00 0.00 H new ATOM 1038 N VAL A 74 0.136 6.354 -2.458 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.113 6.305 -3.200 1.00 0.00 C ATOM 1040 C VAL A 74 -0.851 6.699 -4.656 1.00 0.00 C ATOM 1041 O VAL A 74 -0.082 7.621 -4.924 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.160 7.189 -2.521 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.459 7.220 -3.329 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.419 6.728 -1.085 1.00 0.00 C ATOM 0 H VAL A 74 0.520 7.290 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.516 5.292 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.766 8.204 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.186 7.856 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.259 7.617 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.858 6.209 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.167 7.373 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.782 5.700 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.493 6.782 -0.513 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.505 5.981 -5.556 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.353 6.244 -6.977 1.00 0.00 C ATOM 1056 C GLY A 75 0.122 6.231 -7.382 1.00 0.00 C ATOM 1057 O GLY A 75 0.563 7.074 -8.162 1.00 0.00 O ATOM 0 H GLY A 75 -2.142 5.217 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.898 5.493 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.792 7.211 -7.220 1.00 0.00 H new ATOM 1061 N VAL A 76 0.845 5.265 -6.834 1.00 0.00 N ATOM 1062 CA VAL A 76 2.261 5.131 -7.129 1.00 0.00 C ATOM 1063 C VAL A 76 2.579 3.664 -7.429 1.00 0.00 C ATOM 1064 O VAL A 76 1.986 2.763 -6.838 1.00 0.00 O ATOM 1065 CB VAL A 76 3.091 5.698 -5.976 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.654 7.124 -5.635 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.013 4.792 -4.746 1.00 0.00 C ATOM 0 H VAL A 76 0.476 4.568 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 76 2.523 5.708 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 76 4.131 5.735 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.260 7.503 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.786 7.764 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.604 7.123 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.612 5.219 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.976 4.708 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.396 3.803 -4.998 1.00 0.00 H new ATOM 1077 N THR A 77 3.514 3.471 -8.348 1.00 0.00 N ATOM 1078 CA THR A 77 3.918 2.129 -8.734 1.00 0.00 C ATOM 1079 C THR A 77 4.652 1.441 -7.581 1.00 0.00 C ATOM 1080 O THR A 77 5.437 2.073 -6.876 1.00 0.00 O ATOM 1081 CB THR A 77 4.754 2.236 -10.010 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.069 0.884 -10.333 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.116 2.888 -9.765 1.00 0.00 C ATOM 0 H THR A 77 4.003 4.221 -8.836 1.00 0.00 H new ATOM 0 HA THR A 77 3.053 1.501 -8.947 1.00 0.00 H new ATOM 0 HB THR A 77 4.206 2.811 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.034 0.800 -10.484 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.669 2.939 -10.703 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.972 3.895 -9.373 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.679 2.295 -9.044 1.00 0.00 H new ATOM 1091 N GLN A 78 4.372 0.156 -7.427 1.00 0.00 N ATOM 1092 CA GLN A 78 4.996 -0.625 -6.372 1.00 0.00 C ATOM 1093 C GLN A 78 6.451 -0.191 -6.181 1.00 0.00 C ATOM 1094 O GLN A 78 6.906 -0.013 -5.052 1.00 0.00 O ATOM 1095 CB GLN A 78 4.906 -2.123 -6.672 1.00 0.00 C ATOM 1096 CG GLN A 78 4.970 -2.945 -5.383 1.00 0.00 C ATOM 1097 CD GLN A 78 5.410 -4.382 -5.671 1.00 0.00 C ATOM 1098 OE1 GLN A 78 5.964 -4.692 -6.712 1.00 0.00 O ATOM 1099 NE2 GLN A 78 5.132 -5.238 -4.692 1.00 0.00 N ATOM 0 H GLN A 78 3.721 -0.365 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 78 4.457 -0.441 -5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.976 -2.337 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.721 -2.415 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.667 -2.480 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.992 -2.950 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.666 -4.911 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.385 -6.222 -4.787 1.00 0.00 H new ATOM 1108 N ASN A 79 7.140 -0.033 -7.301 1.00 0.00 N ATOM 1109 CA ASN A 79 8.534 0.377 -7.271 1.00 0.00 C ATOM 1110 C ASN A 79 8.704 1.516 -6.264 1.00 0.00 C ATOM 1111 O ASN A 79 9.518 1.423 -5.347 1.00 0.00 O ATOM 1112 CB ASN A 79 8.989 0.885 -8.641 1.00 0.00 C ATOM 1113 CG ASN A 79 8.560 -0.076 -9.751 1.00 0.00 C ATOM 1114 OD1 ASN A 79 7.514 0.067 -10.363 1.00 0.00 O ATOM 1115 ND2 ASN A 79 9.425 -1.061 -9.977 1.00 0.00 N ATOM 0 H ASN A 79 6.759 -0.181 -8.236 1.00 0.00 H new ATOM 0 HA ASN A 79 9.134 -0.489 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.566 1.872 -8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.073 0.996 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.231 -1.755 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.283 -1.123 -9.428 1.00 0.00 H new ATOM 1122 N PHE A 80 7.922 2.566 -6.469 1.00 0.00 N ATOM 1123 CA PHE A 80 7.976 3.722 -5.591 1.00 0.00 C ATOM 1124 C PHE A 80 7.883 3.301 -4.123 1.00 0.00 C ATOM 1125 O PHE A 80 8.761 3.623 -3.324 1.00 0.00 O ATOM 1126 CB PHE A 80 6.772 4.601 -5.934 1.00 0.00 C ATOM 1127 CG PHE A 80 6.578 5.788 -4.988 1.00 0.00 C ATOM 1128 CD1 PHE A 80 7.235 6.956 -5.218 1.00 0.00 C ATOM 1129 CD2 PHE A 80 5.748 5.675 -3.916 1.00 0.00 C ATOM 1130 CE1 PHE A 80 7.055 8.057 -4.340 1.00 0.00 C ATOM 1131 CE2 PHE A 80 5.568 6.776 -3.038 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.226 7.944 -3.268 1.00 0.00 C ATOM 0 H PHE A 80 7.248 2.640 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 80 8.919 4.251 -5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.887 4.975 -6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.871 3.987 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.894 7.046 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.226 4.747 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.577 8.985 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.909 6.686 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.090 8.781 -2.600 1.00 0.00 H new ATOM 1142 N ALA A 81 6.811 2.587 -3.812 1.00 0.00 N ATOM 1143 CA ALA A 81 6.592 2.118 -2.455 1.00 0.00 C ATOM 1144 C ALA A 81 7.816 1.325 -1.990 1.00 0.00 C ATOM 1145 O ALA A 81 8.318 1.542 -0.888 1.00 0.00 O ATOM 1146 CB ALA A 81 5.307 1.289 -2.402 1.00 0.00 C ATOM 0 H ALA A 81 6.085 2.322 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 81 6.466 2.960 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.143 0.937 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.463 1.905 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.398 0.433 -3.071 1.00 0.00 H new ATOM 1152 N ALA A 82 8.260 0.424 -2.853 1.00 0.00 N ATOM 1153 CA ALA A 82 9.415 -0.402 -2.544 1.00 0.00 C ATOM 1154 C ALA A 82 10.565 0.492 -2.076 1.00 0.00 C ATOM 1155 O ALA A 82 11.251 0.171 -1.106 1.00 0.00 O ATOM 1156 CB ALA A 82 9.789 -1.237 -3.771 1.00 0.00 C ATOM 0 H ALA A 82 7.841 0.247 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 82 9.185 -1.095 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.655 -1.857 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.950 -1.875 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.029 -0.574 -4.603 1.00 0.00 H new ATOM 1162 N THR A 83 10.741 1.597 -2.786 1.00 0.00 N ATOM 1163 CA THR A 83 11.796 2.540 -2.455 1.00 0.00 C ATOM 1164 C THR A 83 11.545 3.159 -1.079 1.00 0.00 C ATOM 1165 O THR A 83 12.441 3.191 -0.236 1.00 0.00 O ATOM 1166 CB THR A 83 11.877 3.573 -3.580 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.446 2.854 -4.671 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.895 4.677 -3.289 1.00 0.00 C ATOM 0 H THR A 83 10.170 1.860 -3.589 1.00 0.00 H new ATOM 0 HA THR A 83 12.763 2.042 -2.381 1.00 0.00 H new ATOM 0 HB THR A 83 10.894 4.018 -3.736 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.533 3.449 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.913 5.383 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.614 5.199 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.884 4.236 -3.166 1.00 0.00 H new ATOM 1176 N VAL A 84 10.323 3.634 -0.893 1.00 0.00 N ATOM 1177 CA VAL A 84 9.943 4.250 0.367 1.00 0.00 C ATOM 1178 C VAL A 84 10.247 3.285 1.514 1.00 0.00 C ATOM 1179 O VAL A 84 10.986 3.624 2.437 1.00 0.00 O ATOM 1180 CB VAL A 84 8.475 4.678 0.319 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.023 5.242 1.668 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.234 5.687 -0.805 1.00 0.00 C ATOM 0 H VAL A 84 9.583 3.605 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 84 10.526 5.155 0.540 1.00 0.00 H new ATOM 0 HB VAL A 84 7.875 3.792 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.976 5.538 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.139 4.480 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.631 6.110 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.183 5.974 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.850 6.571 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.497 5.236 -1.762 1.00 0.00 H new ATOM 1192 N LEU A 85 9.661 2.100 1.419 1.00 0.00 N ATOM 1193 CA LEU A 85 9.860 1.083 2.437 1.00 0.00 C ATOM 1194 C LEU A 85 11.360 0.873 2.657 1.00 0.00 C ATOM 1195 O LEU A 85 11.784 0.492 3.747 1.00 0.00 O ATOM 1196 CB LEU A 85 9.108 -0.198 2.070 1.00 0.00 C ATOM 1197 CG LEU A 85 7.582 -0.125 2.152 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.937 -1.313 1.434 1.00 0.00 C ATOM 1199 CD2 LEU A 85 7.115 -0.012 3.605 1.00 0.00 C ATOM 0 H LEU A 85 9.048 1.822 0.652 1.00 0.00 H new ATOM 0 HA LEU A 85 9.440 1.410 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.385 -0.480 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.450 -0.998 2.727 1.00 0.00 H new ATOM 0 HG LEU A 85 7.256 0.779 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.852 -1.237 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.231 -1.307 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.268 -2.242 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.027 0.038 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.453 -0.884 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.532 0.890 4.052 1.00 0.00 H new ATOM 1211 N ARG A 86 12.121 1.131 1.603 1.00 0.00 N ATOM 1212 CA ARG A 86 13.564 0.976 1.667 1.00 0.00 C ATOM 1213 C ARG A 86 14.208 2.230 2.261 1.00 0.00 C ATOM 1214 O ARG A 86 15.322 2.175 2.779 1.00 0.00 O ATOM 1215 CB ARG A 86 14.153 0.718 0.278 1.00 0.00 C ATOM 1216 CG ARG A 86 13.996 -0.751 -0.120 1.00 0.00 C ATOM 1217 CD ARG A 86 13.783 -0.890 -1.629 1.00 0.00 C ATOM 1218 NE ARG A 86 15.086 -1.052 -2.311 1.00 0.00 N ATOM 1219 CZ ARG A 86 15.229 -1.538 -3.552 1.00 0.00 C ATOM 1220 NH1 ARG A 86 14.150 -1.912 -4.253 1.00 0.00 N ATOM 1221 NH2 ARG A 86 16.450 -1.650 -4.091 1.00 0.00 N ATOM 0 H ARG A 86 11.765 1.446 0.701 1.00 0.00 H new ATOM 0 HA ARG A 86 13.776 0.118 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.655 1.352 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.209 0.990 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.883 -1.309 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.151 -1.187 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.145 -1.749 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.268 -0.010 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 86 15.928 -0.777 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.220 -1.827 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.258 -2.282 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.271 -1.365 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.559 -2.020 -5.035 1.00 0.00 H new ATOM 1235 N ASN A 87 13.478 3.332 2.167 1.00 0.00 N ATOM 1236 CA ASN A 87 13.964 4.598 2.689 1.00 0.00 C ATOM 1237 C ASN A 87 13.760 4.632 4.205 1.00 0.00 C ATOM 1238 O ASN A 87 14.661 5.017 4.948 1.00 0.00 O ATOM 1239 CB ASN A 87 13.196 5.775 2.082 1.00 0.00 C ATOM 1240 CG ASN A 87 13.967 6.385 0.910 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.420 7.517 0.954 1.00 0.00 O ATOM 1242 ND2 ASN A 87 14.089 5.575 -0.138 1.00 0.00 N ATOM 0 H ASN A 87 12.554 3.374 1.737 1.00 0.00 H new ATOM 0 HA ASN A 87 15.020 4.685 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.217 5.439 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.025 6.535 2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.586 5.890 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.685 4.639 -0.109 1.00 0.00 H new ATOM 1249 N THR A 88 12.569 4.224 4.619 1.00 0.00 N ATOM 1250 CA THR A 88 12.235 4.203 6.033 1.00 0.00 C ATOM 1251 C THR A 88 13.444 3.763 6.860 1.00 0.00 C ATOM 1252 O THR A 88 14.331 3.078 6.353 1.00 0.00 O ATOM 1253 CB THR A 88 11.013 3.301 6.217 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.297 2.162 5.409 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.748 3.894 5.592 1.00 0.00 C ATOM 0 H THR A 88 11.824 3.905 4.000 1.00 0.00 H new ATOM 0 HA THR A 88 11.979 5.199 6.393 1.00 0.00 H new ATOM 0 HB THR A 88 10.847 3.128 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.477 1.643 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.911 3.214 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.529 4.855 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.903 4.035 4.522 1.00 0.00 H new ATOM 1263 N LYS A 89 13.441 4.175 8.119 1.00 0.00 N ATOM 1264 CA LYS A 89 14.527 3.832 9.021 1.00 0.00 C ATOM 1265 C LYS A 89 13.949 3.231 10.304 1.00 0.00 C ATOM 1266 O LYS A 89 12.755 2.942 10.375 1.00 0.00 O ATOM 1267 CB LYS A 89 15.427 5.046 9.263 1.00 0.00 C ATOM 1268 CG LYS A 89 16.199 5.417 7.995 1.00 0.00 C ATOM 1269 CD LYS A 89 17.678 5.657 8.304 1.00 0.00 C ATOM 1270 CE LYS A 89 18.431 4.332 8.440 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.439 4.196 7.365 1.00 0.00 N ATOM 0 H LYS A 89 12.704 4.743 8.536 1.00 0.00 H new ATOM 0 HA LYS A 89 15.168 3.073 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.822 5.893 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.128 4.829 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.102 4.618 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.766 6.314 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.127 6.255 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.772 6.230 9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.920 4.283 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.727 3.501 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.941 3.291 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.965 4.222 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.120 4.979 7.427 1.00 0.00 H new ATOM 1285 N GLY A 90 14.822 3.060 11.286 1.00 0.00 N ATOM 1286 CA GLY A 90 14.412 2.499 12.562 1.00 0.00 C ATOM 1287 C GLY A 90 12.900 2.622 12.755 1.00 0.00 C ATOM 1288 O GLY A 90 12.162 1.663 12.533 1.00 0.00 O ATOM 0 H GLY A 90 15.811 3.300 11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.704 1.450 12.613 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.929 3.014 13.372 1.00 0.00 H new ATOM 1292 N ASN A 91 12.483 3.810 13.167 1.00 0.00 N ATOM 1293 CA ASN A 91 11.071 4.071 13.392 1.00 0.00 C ATOM 1294 C ASN A 91 10.391 4.368 12.054 1.00 0.00 C ATOM 1295 O ASN A 91 10.951 5.068 11.212 1.00 0.00 O ATOM 1296 CB ASN A 91 10.874 5.285 14.302 1.00 0.00 C ATOM 1297 CG ASN A 91 9.388 5.538 14.564 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.766 6.407 13.974 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.855 4.734 15.480 1.00 0.00 N ATOM 0 H ASN A 91 13.098 4.603 13.351 1.00 0.00 H new ATOM 0 HA ASN A 91 10.637 3.190 13.866 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.391 5.123 15.248 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.321 6.166 13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.869 4.824 15.726 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.432 4.027 15.936 1.00 0.00 H new ATOM 1306 N VAL A 92 9.195 3.820 11.900 1.00 0.00 N ATOM 1307 CA VAL A 92 8.433 4.017 10.679 1.00 0.00 C ATOM 1308 C VAL A 92 6.953 4.188 11.028 1.00 0.00 C ATOM 1309 O VAL A 92 6.403 3.414 11.810 1.00 0.00 O ATOM 1310 CB VAL A 92 8.689 2.861 9.710 1.00 0.00 C ATOM 1311 CG1 VAL A 92 7.993 3.105 8.369 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.189 2.632 9.515 1.00 0.00 C ATOM 0 H VAL A 92 8.735 3.239 12.601 1.00 0.00 H new ATOM 0 HA VAL A 92 8.754 4.926 10.171 1.00 0.00 H new ATOM 0 HB VAL A 92 8.266 1.957 10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.191 2.269 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.919 3.196 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.373 4.025 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.344 1.805 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.645 3.535 9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.648 2.392 10.474 1.00 0.00 H new ATOM 1322 N ARG A 93 6.351 5.206 10.431 1.00 0.00 N ATOM 1323 CA ARG A 93 4.945 5.488 10.669 1.00 0.00 C ATOM 1324 C ARG A 93 4.104 5.041 9.472 1.00 0.00 C ATOM 1325 O ARG A 93 4.080 5.711 8.440 1.00 0.00 O ATOM 1326 CB ARG A 93 4.717 6.981 10.915 1.00 0.00 C ATOM 1327 CG ARG A 93 3.895 7.208 12.185 1.00 0.00 C ATOM 1328 CD ARG A 93 3.117 8.523 12.106 1.00 0.00 C ATOM 1329 NE ARG A 93 3.592 9.456 13.152 1.00 0.00 N ATOM 1330 CZ ARG A 93 3.319 9.323 14.457 1.00 0.00 C ATOM 1331 NH1 ARG A 93 2.572 8.296 14.884 1.00 0.00 N ATOM 1332 NH2 ARG A 93 3.792 10.218 15.335 1.00 0.00 N ATOM 0 H ARG A 93 6.811 5.846 9.783 1.00 0.00 H new ATOM 0 HA ARG A 93 4.641 4.934 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.677 7.489 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.201 7.419 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.202 6.379 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.555 7.223 13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.245 8.972 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.051 8.333 12.233 1.00 0.00 H new ATOM 0 HE ARG A 93 4.163 10.250 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.211 7.615 14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.364 8.195 15.877 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.360 11.000 15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.584 10.117 16.328 1.00 0.00 H new ATOM 1346 N PHE A 94 3.435 3.911 9.648 1.00 0.00 N ATOM 1347 CA PHE A 94 2.595 3.367 8.596 1.00 0.00 C ATOM 1348 C PHE A 94 1.123 3.711 8.835 1.00 0.00 C ATOM 1349 O PHE A 94 0.561 3.364 9.873 1.00 0.00 O ATOM 1350 CB PHE A 94 2.762 1.847 8.631 1.00 0.00 C ATOM 1351 CG PHE A 94 4.183 1.370 8.324 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.590 1.231 7.033 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.040 1.086 9.341 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.909 0.788 6.748 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.359 0.643 9.056 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.765 0.504 7.765 1.00 0.00 C ATOM 0 H PHE A 94 3.458 3.357 10.504 1.00 0.00 H new ATOM 0 HA PHE A 94 2.887 3.787 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.472 1.483 9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.076 1.400 7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.910 1.458 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.718 1.197 10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.232 0.677 5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.039 0.417 9.864 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.768 0.168 7.548 1.00 0.00 H new ATOM 1366 N VAL A 95 0.541 4.390 7.857 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.854 4.786 7.949 1.00 0.00 C ATOM 1368 C VAL A 95 -1.707 3.826 7.116 1.00 0.00 C ATOM 1369 O VAL A 95 -1.893 4.035 5.918 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.013 6.247 7.525 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.415 6.509 6.972 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.697 7.192 8.687 1.00 0.00 C ATOM 0 H VAL A 95 1.010 4.676 6.997 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.202 4.721 8.980 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.297 6.444 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.501 7.555 6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.588 5.873 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.156 6.286 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.818 8.225 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.378 6.992 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.330 7.033 9.016 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.203 2.795 7.784 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.032 1.803 7.120 1.00 0.00 C ATOM 1384 C ILE A 96 -4.459 2.340 6.992 1.00 0.00 C ATOM 1385 O ILE A 96 -4.865 3.220 7.749 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.944 0.459 7.846 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.527 0.207 8.364 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.439 -0.680 6.953 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.484 0.574 7.307 1.00 0.00 C ATOM 0 H ILE A 96 -2.047 2.625 8.778 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.669 1.618 6.109 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.602 0.496 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.357 0.793 9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.418 -0.842 8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.366 -1.624 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.478 -0.500 6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.827 -0.729 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.515 0.385 7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.642 -0.031 6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.580 1.629 7.052 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.181 1.788 6.027 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.553 2.201 5.790 1.00 0.00 C ATOM 1403 C GLY A 97 -7.514 1.018 5.930 1.00 0.00 C ATOM 1404 O GLY A 97 -7.378 0.017 5.228 1.00 0.00 O ATOM 0 H GLY A 97 -4.841 1.058 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.828 2.983 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.640 2.629 4.791 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.462 1.172 6.842 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.445 0.129 7.083 1.00 0.00 C ATOM 1410 C ARG A 98 -10.845 0.623 6.713 1.00 0.00 C ATOM 1411 O ARG A 98 -11.166 1.794 6.909 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.437 -0.306 8.550 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.300 -1.825 8.670 1.00 0.00 C ATOM 1414 CD ARG A 98 -8.003 -2.204 9.387 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.325 -3.301 8.661 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.786 -4.557 8.596 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.930 -4.883 9.214 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -7.104 -5.487 7.914 1.00 0.00 N ATOM 0 H ARG A 98 -8.571 2.003 7.423 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.181 -0.726 6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.613 0.180 9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.358 0.019 9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.153 -2.229 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.316 -2.275 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.345 -1.337 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.220 -2.513 10.409 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.451 -3.087 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.449 -4.175 9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.282 -5.839 9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.233 -5.239 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.455 -6.443 7.865 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.641 -0.295 6.184 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.999 0.032 5.785 1.00 0.00 C ATOM 1434 C GLU A 99 -13.816 0.481 6.998 1.00 0.00 C ATOM 1435 O GLU A 99 -14.150 -0.330 7.860 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.665 -1.153 5.083 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.701 -0.944 3.568 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.592 -2.279 2.828 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -12.503 -2.887 2.910 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.601 -2.662 2.196 1.00 0.00 O ATOM 0 H GLU A 99 -11.371 -1.265 6.023 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.959 0.857 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.122 -2.069 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.680 -1.280 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.628 -0.444 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.882 -0.290 3.268 1.00 0.00 H new