USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 120:sc= 0.0413 USER MOD Set 1.2: A 87 TYR OH : rot -66:sc= 0.544 USER MOD Set 2.1: A 76 SER OG : rot 170:sc= -0.111 USER MOD Set 2.2: A 81 TYR OH : rot 30:sc= -0.723 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.021 F(o=-0.58,f=-0.034) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.013 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= -0.46 F(o=-2.5!,f=-0.48) USER MOD Set 4.2: A 72 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.33! C(o=-3.3!,f=-4.4!) USER MOD Single : A 32 SER OG : rot 43:sc= -0.279 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -74:sc= 1.17 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.525 (180deg=-1.65!) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -1.78 F(o=-3.8!,f=-1.8) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.000509 USER MOD Single : A 77 GLN : amide:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= -0.0724 (180deg=-1.1) USER MOD Single : A 95 SER OG : rot -157:sc= -0.484 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00269) USER MOD Single : A 104 THR OG1 : rot -13:sc= -0.404 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.616 20.579 4.565 1.00 0.00 N ATOM 83 CA VAL A 9 1.514 19.145 4.326 1.00 0.00 C ATOM 84 C VAL A 9 0.131 18.622 4.699 1.00 0.00 C ATOM 85 O VAL A 9 -0.372 18.894 5.789 1.00 0.00 O ATOM 86 CB VAL A 9 2.577 18.365 5.122 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.245 16.881 5.147 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.961 18.600 4.536 1.00 0.00 C ATOM 0 HA VAL A 9 1.683 18.990 3.260 1.00 0.00 H new ATOM 0 HB VAL A 9 2.575 18.730 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.008 16.347 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.273 16.733 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.216 16.497 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.699 18.041 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.979 18.264 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.198 19.663 4.577 1.00 0.00 H new ATOM 98 N ASP A 10 -0.478 17.872 3.788 1.00 0.00 N ATOM 99 CA ASP A 10 -1.803 17.310 4.021 1.00 0.00 C ATOM 100 C ASP A 10 -1.815 15.811 3.737 1.00 0.00 C ATOM 101 O ASP A 10 -1.972 15.372 2.598 1.00 0.00 O ATOM 102 CB ASP A 10 -2.841 18.016 3.148 1.00 0.00 C ATOM 103 CG ASP A 10 -3.300 19.331 3.742 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.601 19.363 4.954 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.358 20.331 2.997 1.00 0.00 O ATOM 0 H ASP A 10 -0.075 17.639 2.880 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.057 17.465 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.418 18.195 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.702 17.362 3.012 1.00 0.00 H new ATOM 110 N PRO A 11 -1.643 15.006 4.796 1.00 0.00 N ATOM 111 CA PRO A 11 -1.629 13.544 4.687 1.00 0.00 C ATOM 112 C PRO A 11 -3.004 12.975 4.354 1.00 0.00 C ATOM 113 O PRO A 11 -3.161 11.767 4.177 1.00 0.00 O ATOM 114 CB PRO A 11 -1.184 13.088 6.079 1.00 0.00 C ATOM 115 CG PRO A 11 -1.585 14.198 6.988 1.00 0.00 C ATOM 116 CD PRO A 11 -1.448 15.461 6.183 1.00 0.00 C ATOM 0 HA PRO A 11 -0.977 13.201 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.665 12.152 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.108 12.917 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.609 14.066 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.949 14.228 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.193 16.203 6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.470 15.921 6.321 1.00 0.00 H new ATOM 124 N SER A 12 -3.999 13.853 4.270 1.00 0.00 N ATOM 125 CA SER A 12 -5.362 13.438 3.963 1.00 0.00 C ATOM 126 C SER A 12 -5.676 13.659 2.486 1.00 0.00 C ATOM 127 O SER A 12 -6.823 13.532 2.057 1.00 0.00 O ATOM 128 CB SER A 12 -6.361 14.207 4.829 1.00 0.00 C ATOM 129 OG SER A 12 -6.539 15.529 4.351 1.00 0.00 O ATOM 0 H SER A 12 -3.886 14.857 4.411 1.00 0.00 H new ATOM 0 HA SER A 12 -5.449 12.374 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.319 13.687 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.008 14.234 5.860 1.00 0.00 H new ATOM 0 HG SER A 12 -7.183 15.999 4.921 1.00 0.00 H new ATOM 135 N LYS A 13 -4.649 13.989 1.712 1.00 0.00 N ATOM 136 CA LYS A 13 -4.812 14.227 0.282 1.00 0.00 C ATOM 137 C LYS A 13 -4.083 13.164 -0.533 1.00 0.00 C ATOM 138 O LYS A 13 -4.217 13.105 -1.756 1.00 0.00 O ATOM 139 CB LYS A 13 -4.288 15.616 -0.088 1.00 0.00 C ATOM 140 CG LYS A 13 -4.831 16.726 0.796 1.00 0.00 C ATOM 141 CD LYS A 13 -6.115 17.312 0.229 1.00 0.00 C ATOM 142 CE LYS A 13 -7.341 16.586 0.760 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.530 16.797 -0.110 1.00 0.00 N ATOM 0 H LYS A 13 -3.693 14.098 2.051 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.875 14.173 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.200 15.613 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.548 15.829 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.018 16.337 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.083 17.513 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.178 18.370 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.096 17.248 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.129 15.519 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.562 16.936 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.345 16.286 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.749 17.813 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.329 16.440 -1.066 1.00 0.00 H new ATOM 157 N VAL A 14 -3.314 12.323 0.152 1.00 0.00 N ATOM 158 CA VAL A 14 -2.567 11.260 -0.510 1.00 0.00 C ATOM 159 C VAL A 14 -3.441 10.031 -0.732 1.00 0.00 C ATOM 160 O VAL A 14 -4.029 9.495 0.206 1.00 0.00 O ATOM 161 CB VAL A 14 -1.327 10.854 0.309 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.673 10.748 1.787 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.755 9.543 -0.208 1.00 0.00 C ATOM 0 H VAL A 14 -3.192 12.357 1.164 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.245 11.651 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.567 11.627 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.784 10.460 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.033 11.712 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.449 9.996 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.120 9.270 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.508 8.759 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.467 9.659 -1.253 1.00 0.00 H new ATOM 173 N LYS A 15 -3.520 9.587 -1.982 1.00 0.00 N ATOM 174 CA LYS A 15 -4.320 8.420 -2.331 1.00 0.00 C ATOM 175 C LYS A 15 -3.454 7.337 -2.967 1.00 0.00 C ATOM 176 O LYS A 15 -2.272 7.553 -3.235 1.00 0.00 O ATOM 177 CB LYS A 15 -5.447 8.815 -3.288 1.00 0.00 C ATOM 178 CG LYS A 15 -6.627 9.478 -2.600 1.00 0.00 C ATOM 179 CD LYS A 15 -7.919 9.253 -3.366 1.00 0.00 C ATOM 180 CE LYS A 15 -8.984 10.265 -2.971 1.00 0.00 C ATOM 181 NZ LYS A 15 -10.281 9.999 -3.652 1.00 0.00 N ATOM 0 H LYS A 15 -3.039 10.019 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.754 8.021 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.050 9.493 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.796 7.925 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.729 9.083 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.440 10.548 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.726 9.325 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.285 8.244 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.128 10.237 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.642 11.269 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.980 10.710 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.149 10.050 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.621 9.051 -3.393 1.00 0.00 H new ATOM 195 N ILE A 16 -4.051 6.174 -3.208 1.00 0.00 N ATOM 196 CA ILE A 16 -3.334 5.060 -3.815 1.00 0.00 C ATOM 197 C ILE A 16 -4.259 4.226 -4.696 1.00 0.00 C ATOM 198 O ILE A 16 -5.397 3.944 -4.325 1.00 0.00 O ATOM 199 CB ILE A 16 -2.701 4.149 -2.747 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.790 3.469 -1.915 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.766 4.951 -1.854 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.252 2.458 -0.926 1.00 0.00 C ATOM 0 H ILE A 16 -5.029 5.979 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.542 5.491 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.118 3.376 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.352 4.231 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.491 2.972 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.326 4.294 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.974 5.392 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.327 5.743 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.080 2.016 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.715 1.675 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.574 2.954 -0.232 1.00 0.00 H new ATOM 214 N ALA A 17 -3.760 3.832 -5.863 1.00 0.00 N ATOM 215 CA ALA A 17 -4.539 3.028 -6.795 1.00 0.00 C ATOM 216 C ALA A 17 -3.666 1.981 -7.479 1.00 0.00 C ATOM 217 O ALA A 17 -2.535 2.263 -7.874 1.00 0.00 O ATOM 218 CB ALA A 17 -5.209 3.919 -7.831 1.00 0.00 C ATOM 0 H ALA A 17 -2.819 4.057 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.311 2.506 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.787 3.304 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.872 4.624 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.448 4.468 -8.386 1.00 0.00 H new ATOM 224 N GLY A 18 -4.199 0.770 -7.617 1.00 0.00 N ATOM 225 CA GLY A 18 -3.454 -0.300 -8.254 1.00 0.00 C ATOM 226 C GLY A 18 -4.054 -1.665 -7.983 1.00 0.00 C ATOM 227 O GLY A 18 -4.936 -1.823 -7.138 1.00 0.00 O ATOM 0 H GLY A 18 -5.133 0.512 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.424 -0.127 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.424 -0.282 -7.899 1.00 0.00 H new ATOM 231 N PRO A 19 -3.574 -2.682 -8.714 1.00 0.00 N ATOM 232 CA PRO A 19 -4.056 -4.059 -8.567 1.00 0.00 C ATOM 233 C PRO A 19 -3.633 -4.683 -7.242 1.00 0.00 C ATOM 234 O PRO A 19 -4.339 -5.524 -6.686 1.00 0.00 O ATOM 235 CB PRO A 19 -3.397 -4.793 -9.738 1.00 0.00 C ATOM 236 CG PRO A 19 -2.175 -3.998 -10.043 1.00 0.00 C ATOM 237 CD PRO A 19 -2.524 -2.567 -9.740 1.00 0.00 C ATOM 0 HA PRO A 19 -5.145 -4.112 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.145 -5.819 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.063 -4.842 -10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.332 -4.331 -9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.884 -4.116 -11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.661 -2.012 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.884 -2.045 -10.626 1.00 0.00 H new ATOM 245 N GLY A 20 -2.475 -4.265 -6.739 1.00 0.00 N ATOM 246 CA GLY A 20 -1.978 -4.793 -5.481 1.00 0.00 C ATOM 247 C GLY A 20 -2.999 -4.691 -4.366 1.00 0.00 C ATOM 248 O GLY A 20 -3.222 -5.651 -3.626 1.00 0.00 O ATOM 0 H GLY A 20 -1.872 -3.570 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.694 -5.837 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.076 -4.252 -5.194 1.00 0.00 H new ATOM 252 N LEU A 21 -3.622 -3.524 -4.241 1.00 0.00 N ATOM 253 CA LEU A 21 -4.625 -3.299 -3.206 1.00 0.00 C ATOM 254 C LEU A 21 -5.949 -3.959 -3.576 1.00 0.00 C ATOM 255 O LEU A 21 -6.724 -4.351 -2.705 1.00 0.00 O ATOM 256 CB LEU A 21 -4.833 -1.799 -2.987 1.00 0.00 C ATOM 257 CG LEU A 21 -3.567 -0.970 -2.766 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.776 0.461 -3.236 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.161 -0.997 -1.300 1.00 0.00 C ATOM 0 H LEU A 21 -3.450 -2.719 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.263 -3.749 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.361 -1.396 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.486 -1.665 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.762 -1.410 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.864 1.035 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.018 0.463 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.595 0.912 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.258 -0.402 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.965 -0.583 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.968 -2.025 -0.995 1.00 0.00 H new ATOM 271 N GLY A 22 -6.200 -4.080 -4.876 1.00 0.00 N ATOM 272 CA GLY A 22 -7.430 -4.696 -5.340 1.00 0.00 C ATOM 273 C GLY A 22 -7.725 -6.005 -4.634 1.00 0.00 C ATOM 274 O GLY A 22 -6.879 -6.533 -3.912 1.00 0.00 O ATOM 0 H GLY A 22 -5.574 -3.763 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.260 -4.007 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.362 -4.873 -6.413 1.00 0.00 H new ATOM 278 N SER A 23 -8.928 -6.530 -4.843 1.00 0.00 N ATOM 279 CA SER A 23 -9.334 -7.783 -4.218 1.00 0.00 C ATOM 280 C SER A 23 -8.911 -8.977 -5.069 1.00 0.00 C ATOM 281 O SER A 23 -9.032 -10.127 -4.648 1.00 0.00 O ATOM 282 CB SER A 23 -10.848 -7.804 -4.005 1.00 0.00 C ATOM 283 OG SER A 23 -11.242 -6.838 -3.047 1.00 0.00 O ATOM 0 H SER A 23 -9.638 -6.107 -5.440 1.00 0.00 H new ATOM 0 HA SER A 23 -8.838 -7.855 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.354 -7.610 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.158 -8.795 -3.675 1.00 0.00 H new ATOM 0 HG SER A 23 -12.214 -6.871 -2.930 1.00 0.00 H new ATOM 289 N GLY A 24 -8.415 -8.694 -6.269 1.00 0.00 N ATOM 290 CA GLY A 24 -7.982 -9.754 -7.162 1.00 0.00 C ATOM 291 C GLY A 24 -6.501 -10.051 -7.034 1.00 0.00 C ATOM 292 O GLY A 24 -5.786 -10.120 -8.033 1.00 0.00 O ATOM 0 H GLY A 24 -8.305 -7.750 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.551 -10.659 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.205 -9.472 -8.191 1.00 0.00 H new ATOM 296 N VAL A 25 -6.038 -10.226 -5.800 1.00 0.00 N ATOM 297 CA VAL A 25 -4.633 -10.516 -5.544 1.00 0.00 C ATOM 298 C VAL A 25 -4.418 -12.002 -5.274 1.00 0.00 C ATOM 299 O VAL A 25 -5.243 -12.651 -4.632 1.00 0.00 O ATOM 300 CB VAL A 25 -4.101 -9.706 -4.346 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.687 -10.141 -3.994 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.151 -8.216 -4.647 1.00 0.00 C ATOM 0 H VAL A 25 -6.617 -10.172 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.083 -10.229 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.740 -9.900 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.328 -9.558 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.686 -11.199 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.032 -9.978 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.772 -7.659 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.536 -8.001 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.181 -7.919 -4.846 1.00 0.00 H new ATOM 312 N ARG A 26 -3.306 -12.532 -5.769 1.00 0.00 N ATOM 313 CA ARG A 26 -2.983 -13.942 -5.583 1.00 0.00 C ATOM 314 C ARG A 26 -1.683 -14.103 -4.800 1.00 0.00 C ATOM 315 O ARG A 26 -0.778 -13.276 -4.903 1.00 0.00 O ATOM 316 CB ARG A 26 -2.865 -14.643 -6.938 1.00 0.00 C ATOM 317 CG ARG A 26 -4.124 -14.550 -7.783 1.00 0.00 C ATOM 318 CD ARG A 26 -3.988 -15.343 -9.073 1.00 0.00 C ATOM 319 NE ARG A 26 -5.278 -15.825 -9.558 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.455 -16.375 -10.755 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.429 -16.512 -11.584 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.661 -16.789 -11.125 1.00 0.00 N ATOM 0 H ARG A 26 -2.613 -12.007 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.790 -14.402 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.033 -14.208 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.624 -15.693 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.975 -14.923 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.331 -13.506 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.525 -14.717 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.323 -16.191 -8.909 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.088 -15.735 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.501 -16.195 -11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.568 -16.934 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.453 -16.685 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.796 -17.211 -12.044 1.00 0.00 H new ATOM 336 N ALA A 27 -1.600 -15.173 -4.016 1.00 0.00 N ATOM 337 CA ALA A 27 -0.411 -15.444 -3.216 1.00 0.00 C ATOM 338 C ALA A 27 0.781 -15.788 -4.104 1.00 0.00 C ATOM 339 O ALA A 27 0.619 -16.344 -5.189 1.00 0.00 O ATOM 340 CB ALA A 27 -0.681 -16.571 -2.233 1.00 0.00 C ATOM 0 H ALA A 27 -2.342 -15.866 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.166 -14.541 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.215 -16.762 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.498 -16.287 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.954 -17.473 -2.780 1.00 0.00 H new ATOM 346 N ARG A 28 1.978 -15.452 -3.635 1.00 0.00 N ATOM 347 CA ARG A 28 3.197 -15.724 -4.387 1.00 0.00 C ATOM 348 C ARG A 28 3.131 -15.096 -5.775 1.00 0.00 C ATOM 349 O ARG A 28 3.551 -15.701 -6.762 1.00 0.00 O ATOM 350 CB ARG A 28 3.421 -17.232 -4.508 1.00 0.00 C ATOM 351 CG ARG A 28 3.484 -17.949 -3.168 1.00 0.00 C ATOM 352 CD ARG A 28 3.971 -19.381 -3.324 1.00 0.00 C ATOM 353 NE ARG A 28 4.566 -19.893 -2.093 1.00 0.00 N ATOM 354 CZ ARG A 28 4.852 -21.175 -1.892 1.00 0.00 C ATOM 355 NH1 ARG A 28 4.596 -22.069 -2.838 1.00 0.00 N ATOM 356 NH2 ARG A 28 5.394 -21.563 -0.746 1.00 0.00 N ATOM 0 H ARG A 28 2.130 -14.991 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 28 4.034 -15.281 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.617 -17.663 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.350 -17.410 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.150 -17.408 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.496 -17.948 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.136 -20.018 -3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.705 -19.429 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 28 4.774 -19.230 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.179 -21.773 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.816 -23.053 -2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.592 -20.877 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.613 -22.547 -0.593 1.00 0.00 H new ATOM 370 N VAL A 29 2.600 -13.879 -5.844 1.00 0.00 N ATOM 371 CA VAL A 29 2.479 -13.169 -7.112 1.00 0.00 C ATOM 372 C VAL A 29 2.955 -11.727 -6.981 1.00 0.00 C ATOM 373 O VAL A 29 2.823 -11.111 -5.923 1.00 0.00 O ATOM 374 CB VAL A 29 1.024 -13.173 -7.621 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.871 -12.234 -8.808 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.594 -14.584 -7.988 1.00 0.00 C ATOM 0 H VAL A 29 2.247 -13.365 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 29 3.109 -13.694 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 29 0.376 -12.816 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.163 -12.250 -9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.137 -11.221 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.529 -12.557 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.436 -14.569 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.245 -14.970 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.664 -15.226 -7.110 1.00 0.00 H new ATOM 386 N LEU A 30 3.510 -11.192 -8.064 1.00 0.00 N ATOM 387 CA LEU A 30 4.007 -9.821 -8.071 1.00 0.00 C ATOM 388 C LEU A 30 2.856 -8.824 -7.965 1.00 0.00 C ATOM 389 O LEU A 30 2.025 -8.723 -8.867 1.00 0.00 O ATOM 390 CB LEU A 30 4.810 -9.556 -9.346 1.00 0.00 C ATOM 391 CG LEU A 30 5.586 -8.239 -9.389 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.814 -8.313 -8.496 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.984 -7.899 -10.818 1.00 0.00 C ATOM 0 H LEU A 30 3.627 -11.687 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 30 4.657 -9.691 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.516 -10.375 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.125 -9.579 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 30 4.937 -7.447 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.353 -7.367 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.506 -8.508 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.465 -9.118 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.535 -6.959 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.614 -8.693 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.088 -7.801 -11.432 1.00 0.00 H new ATOM 405 N GLN A 31 2.817 -8.090 -6.858 1.00 0.00 N ATOM 406 CA GLN A 31 1.770 -7.100 -6.635 1.00 0.00 C ATOM 407 C GLN A 31 2.366 -5.709 -6.452 1.00 0.00 C ATOM 408 O GLN A 31 3.267 -5.510 -5.636 1.00 0.00 O ATOM 409 CB GLN A 31 0.937 -7.476 -5.409 1.00 0.00 C ATOM 410 CG GLN A 31 0.410 -8.902 -5.445 1.00 0.00 C ATOM 411 CD GLN A 31 -0.548 -9.142 -6.595 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.946 -8.208 -7.291 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.923 -10.399 -6.800 1.00 0.00 N ATOM 0 H GLN A 31 3.498 -8.162 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 31 1.125 -7.086 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.544 -7.344 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.095 -6.788 -5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.249 -9.593 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.095 -9.122 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.568 -11.142 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.566 -10.622 -7.560 1.00 0.00 H new ATOM 422 N SER A 32 1.858 -4.747 -7.216 1.00 0.00 N ATOM 423 CA SER A 32 2.343 -3.374 -7.141 1.00 0.00 C ATOM 424 C SER A 32 1.205 -2.382 -7.359 1.00 0.00 C ATOM 425 O SER A 32 0.235 -2.677 -8.060 1.00 0.00 O ATOM 426 CB SER A 32 3.443 -3.142 -8.179 1.00 0.00 C ATOM 427 OG SER A 32 3.961 -1.826 -8.088 1.00 0.00 O ATOM 0 H SER A 32 1.110 -4.893 -7.894 1.00 0.00 H new ATOM 0 HA SER A 32 2.754 -3.214 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.246 -3.863 -8.030 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.045 -3.311 -9.179 1.00 0.00 H new ATOM 0 HG SER A 32 4.091 -1.590 -7.146 1.00 0.00 H new ATOM 433 N PHE A 33 1.329 -1.206 -6.755 1.00 0.00 N ATOM 434 CA PHE A 33 0.310 -0.170 -6.881 1.00 0.00 C ATOM 435 C PHE A 33 0.950 1.206 -7.034 1.00 0.00 C ATOM 436 O PHE A 33 2.174 1.334 -7.074 1.00 0.00 O ATOM 437 CB PHE A 33 -0.614 -0.182 -5.661 1.00 0.00 C ATOM 438 CG PHE A 33 0.123 -0.218 -4.353 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.856 -1.334 -3.984 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.081 0.865 -3.489 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.535 -1.369 -2.782 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.757 0.835 -2.284 1.00 0.00 C ATOM 443 CZ PHE A 33 1.484 -0.283 -1.930 1.00 0.00 C ATOM 0 H PHE A 33 2.125 -0.946 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.277 -0.380 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.249 0.704 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.273 -1.048 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.897 -2.187 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.487 1.743 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.105 -2.244 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.716 1.686 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.012 -0.309 -0.988 1.00 0.00 H new ATOM 453 N THR A 34 0.113 2.235 -7.122 1.00 0.00 N ATOM 454 CA THR A 34 0.595 3.603 -7.274 1.00 0.00 C ATOM 455 C THR A 34 0.112 4.486 -6.129 1.00 0.00 C ATOM 456 O THR A 34 -1.063 4.457 -5.763 1.00 0.00 O ATOM 457 CB THR A 34 0.136 4.216 -8.610 1.00 0.00 C ATOM 458 OG1 THR A 34 0.612 3.422 -9.703 1.00 0.00 O ATOM 459 CG2 THR A 34 0.644 5.642 -8.754 1.00 0.00 C ATOM 0 H THR A 34 -0.903 2.147 -7.091 1.00 0.00 H new ATOM 0 HA THR A 34 1.684 3.558 -7.260 1.00 0.00 H new ATOM 0 HB THR A 34 -0.954 4.233 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.314 3.818 -10.549 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.307 6.054 -9.705 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.256 6.251 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.734 5.645 -8.723 1.00 0.00 H new ATOM 467 N VAL A 35 1.025 5.272 -5.569 1.00 0.00 N ATOM 468 CA VAL A 35 0.692 6.167 -4.467 1.00 0.00 C ATOM 469 C VAL A 35 0.859 7.627 -4.874 1.00 0.00 C ATOM 470 O VAL A 35 1.980 8.115 -5.022 1.00 0.00 O ATOM 471 CB VAL A 35 1.567 5.886 -3.231 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.142 6.764 -2.064 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.498 4.413 -2.854 1.00 0.00 C ATOM 0 H VAL A 35 2.002 5.307 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.352 5.981 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 35 2.601 6.127 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.772 6.551 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.248 7.813 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.101 6.558 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.122 4.232 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.467 4.144 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.856 3.807 -3.686 1.00 0.00 H new ATOM 483 N ASP A 36 -0.260 8.318 -5.050 1.00 0.00 N ATOM 484 CA ASP A 36 -0.238 9.724 -5.438 1.00 0.00 C ATOM 485 C ASP A 36 -0.245 10.627 -4.208 1.00 0.00 C ATOM 486 O ASP A 36 -1.265 10.764 -3.533 1.00 0.00 O ATOM 487 CB ASP A 36 -1.436 10.047 -6.332 1.00 0.00 C ATOM 488 CG ASP A 36 -1.336 11.424 -6.959 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.464 12.424 -6.222 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.128 11.502 -8.189 1.00 0.00 O ATOM 0 H ASP A 36 -1.195 7.928 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 36 0.680 9.908 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.511 9.297 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.352 9.984 -5.744 1.00 0.00 H new ATOM 495 N SER A 37 0.899 11.239 -3.924 1.00 0.00 N ATOM 496 CA SER A 37 1.026 12.126 -2.773 1.00 0.00 C ATOM 497 C SER A 37 1.345 13.550 -3.216 1.00 0.00 C ATOM 498 O SER A 37 1.851 14.357 -2.436 1.00 0.00 O ATOM 499 CB SER A 37 2.117 11.617 -1.829 1.00 0.00 C ATOM 500 OG SER A 37 3.398 11.723 -2.426 1.00 0.00 O ATOM 0 H SER A 37 1.752 11.137 -4.475 1.00 0.00 H new ATOM 0 HA SER A 37 0.072 12.134 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.096 12.189 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.919 10.578 -1.567 1.00 0.00 H new ATOM 0 HG SER A 37 3.967 12.302 -1.878 1.00 0.00 H new ATOM 506 N SER A 38 1.046 13.853 -4.476 1.00 0.00 N ATOM 507 CA SER A 38 1.303 15.178 -5.026 1.00 0.00 C ATOM 508 C SER A 38 0.482 16.238 -4.297 1.00 0.00 C ATOM 509 O SER A 38 0.979 17.319 -3.985 1.00 0.00 O ATOM 510 CB SER A 38 0.979 15.205 -6.521 1.00 0.00 C ATOM 511 OG SER A 38 -0.345 14.765 -6.764 1.00 0.00 O ATOM 0 H SER A 38 0.625 13.198 -5.135 1.00 0.00 H new ATOM 0 HA SER A 38 2.360 15.403 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.105 16.217 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.681 14.569 -7.060 1.00 0.00 H new ATOM 0 HG SER A 38 -0.394 13.794 -6.643 1.00 0.00 H new ATOM 517 N LYS A 39 -0.780 15.919 -4.030 1.00 0.00 N ATOM 518 CA LYS A 39 -1.673 16.840 -3.337 1.00 0.00 C ATOM 519 C LYS A 39 -1.377 16.863 -1.841 1.00 0.00 C ATOM 520 O LYS A 39 -1.820 17.761 -1.125 1.00 0.00 O ATOM 521 CB LYS A 39 -3.132 16.444 -3.574 1.00 0.00 C ATOM 522 CG LYS A 39 -3.543 16.482 -5.035 1.00 0.00 C ATOM 523 CD LYS A 39 -5.041 16.691 -5.187 1.00 0.00 C ATOM 524 CE LYS A 39 -5.793 15.369 -5.181 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.574 14.613 -3.916 1.00 0.00 N ATOM 0 H LYS A 39 -1.208 15.028 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.505 17.840 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.294 15.439 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.778 17.113 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.009 17.285 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.254 15.550 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.405 17.321 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.243 17.221 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.859 15.557 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.469 14.763 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.377 13.973 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.698 14.057 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.494 15.280 -3.122 1.00 0.00 H new ATOM 539 N ALA A 40 -0.626 15.870 -1.376 1.00 0.00 N ATOM 540 CA ALA A 40 -0.269 15.779 0.035 1.00 0.00 C ATOM 541 C ALA A 40 0.868 16.735 0.375 1.00 0.00 C ATOM 542 O ALA A 40 0.940 17.260 1.487 1.00 0.00 O ATOM 543 CB ALA A 40 0.117 14.350 0.390 1.00 0.00 C ATOM 0 H ALA A 40 -0.253 15.118 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.140 16.066 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.381 14.296 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.724 13.686 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.971 14.043 -0.214 1.00 0.00 H new ATOM 549 N GLY A 41 1.758 16.959 -0.588 1.00 0.00 N ATOM 550 CA GLY A 41 2.880 17.852 -0.369 1.00 0.00 C ATOM 551 C GLY A 41 4.208 17.213 -0.724 1.00 0.00 C ATOM 552 O GLY A 41 4.313 16.496 -1.720 1.00 0.00 O ATOM 0 H GLY A 41 1.721 16.537 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.744 18.754 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.897 18.160 0.676 1.00 0.00 H new ATOM 556 N LEU A 42 5.224 17.473 0.090 1.00 0.00 N ATOM 557 CA LEU A 42 6.553 16.919 -0.144 1.00 0.00 C ATOM 558 C LEU A 42 6.975 16.009 1.006 1.00 0.00 C ATOM 559 O LEU A 42 8.163 15.775 1.222 1.00 0.00 O ATOM 560 CB LEU A 42 7.574 18.046 -0.317 1.00 0.00 C ATOM 561 CG LEU A 42 7.605 19.099 0.790 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.553 20.168 0.540 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.397 18.449 2.150 1.00 0.00 C ATOM 0 H LEU A 42 5.153 18.064 0.918 1.00 0.00 H new ATOM 0 HA LEU A 42 6.516 16.326 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.566 17.601 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.374 18.548 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 42 8.585 19.576 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.590 20.909 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.748 20.654 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.565 19.708 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.422 19.214 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.431 17.945 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.189 17.722 2.331 1.00 0.00 H new ATOM 575 N ALA A 43 5.991 15.496 1.738 1.00 0.00 N ATOM 576 CA ALA A 43 6.260 14.609 2.863 1.00 0.00 C ATOM 577 C ALA A 43 6.560 13.193 2.385 1.00 0.00 C ATOM 578 O ALA A 43 6.091 12.754 1.335 1.00 0.00 O ATOM 579 CB ALA A 43 5.080 14.604 3.825 1.00 0.00 C ATOM 0 H ALA A 43 5.001 15.679 1.572 1.00 0.00 H new ATOM 0 HA ALA A 43 7.140 14.983 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.294 13.937 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.912 15.614 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.187 14.257 3.304 1.00 0.00 H new ATOM 585 N PRO A 44 7.362 12.460 3.172 1.00 0.00 N ATOM 586 CA PRO A 44 7.744 11.081 2.848 1.00 0.00 C ATOM 587 C PRO A 44 6.573 10.112 2.971 1.00 0.00 C ATOM 588 O PRO A 44 5.529 10.450 3.529 1.00 0.00 O ATOM 589 CB PRO A 44 8.819 10.757 3.889 1.00 0.00 C ATOM 590 CG PRO A 44 8.518 11.658 5.037 1.00 0.00 C ATOM 591 CD PRO A 44 7.958 12.919 4.438 1.00 0.00 C ATOM 0 HA PRO A 44 8.086 10.984 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.779 9.709 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.819 10.938 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.802 11.197 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.418 11.867 5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.214 13.377 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.736 13.664 4.269 1.00 0.00 H new ATOM 599 N LEU A 45 6.754 8.905 2.446 1.00 0.00 N ATOM 600 CA LEU A 45 5.713 7.885 2.498 1.00 0.00 C ATOM 601 C LEU A 45 6.241 6.597 3.122 1.00 0.00 C ATOM 602 O LEU A 45 7.365 6.180 2.846 1.00 0.00 O ATOM 603 CB LEU A 45 5.178 7.602 1.092 1.00 0.00 C ATOM 604 CG LEU A 45 4.154 6.472 0.978 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.742 7.012 1.148 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.297 5.756 -0.356 1.00 0.00 C ATOM 0 H LEU A 45 7.612 8.609 1.980 1.00 0.00 H new ATOM 0 HA LEU A 45 4.902 8.262 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.725 8.516 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.022 7.367 0.444 1.00 0.00 H new ATOM 0 HG LEU A 45 4.344 5.753 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.027 6.194 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.646 7.478 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.540 7.752 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.561 4.955 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.134 6.464 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.299 5.335 -0.437 1.00 0.00 H new ATOM 618 N GLU A 46 5.422 5.973 3.962 1.00 0.00 N ATOM 619 CA GLU A 46 5.808 4.732 4.623 1.00 0.00 C ATOM 620 C GLU A 46 4.833 3.608 4.285 1.00 0.00 C ATOM 621 O GLU A 46 3.634 3.839 4.125 1.00 0.00 O ATOM 622 CB GLU A 46 5.865 4.933 6.139 1.00 0.00 C ATOM 623 CG GLU A 46 7.181 5.515 6.627 1.00 0.00 C ATOM 624 CD GLU A 46 7.090 6.060 8.039 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.225 6.925 8.287 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.886 5.621 8.896 1.00 0.00 O ATOM 0 H GLU A 46 4.488 6.306 4.201 1.00 0.00 H new ATOM 0 HA GLU A 46 6.798 4.451 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.052 5.593 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.697 3.975 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.951 4.745 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.493 6.313 5.953 1.00 0.00 H new ATOM 633 N VAL A 47 5.355 2.391 4.176 1.00 0.00 N ATOM 634 CA VAL A 47 4.532 1.231 3.856 1.00 0.00 C ATOM 635 C VAL A 47 4.862 0.055 4.767 1.00 0.00 C ATOM 636 O VAL A 47 6.026 -0.181 5.096 1.00 0.00 O ATOM 637 CB VAL A 47 4.717 0.798 2.389 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.722 -0.294 2.026 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.573 1.993 1.459 1.00 0.00 C ATOM 0 H VAL A 47 6.345 2.183 4.305 1.00 0.00 H new ATOM 0 HA VAL A 47 3.495 1.527 4.011 1.00 0.00 H new ATOM 0 HB VAL A 47 5.723 0.394 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.867 -0.588 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.878 -1.158 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.707 0.080 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.707 1.669 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.581 2.428 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.328 2.739 1.706 1.00 0.00 H new ATOM 649 N ARG A 48 3.833 -0.681 5.172 1.00 0.00 N ATOM 650 CA ARG A 48 4.014 -1.834 6.047 1.00 0.00 C ATOM 651 C ARG A 48 2.991 -2.921 5.732 1.00 0.00 C ATOM 652 O ARG A 48 1.794 -2.651 5.630 1.00 0.00 O ATOM 653 CB ARG A 48 3.892 -1.412 7.513 1.00 0.00 C ATOM 654 CG ARG A 48 5.120 -0.692 8.044 1.00 0.00 C ATOM 655 CD ARG A 48 5.016 -0.441 9.540 1.00 0.00 C ATOM 656 NE ARG A 48 3.922 0.471 9.867 1.00 0.00 N ATOM 657 CZ ARG A 48 3.834 1.130 11.017 1.00 0.00 C ATOM 658 NH1 ARG A 48 4.771 0.982 11.943 1.00 0.00 N ATOM 659 NH2 ARG A 48 2.810 1.943 11.239 1.00 0.00 N ATOM 0 H ARG A 48 2.864 -0.500 4.908 1.00 0.00 H new ATOM 0 HA ARG A 48 5.012 -2.238 5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.024 -0.762 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.708 -2.297 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.010 -1.286 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.240 0.257 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.865 -1.389 10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.956 -0.025 9.904 1.00 0.00 H new ATOM 0 HE ARG A 48 3.186 0.609 9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.562 0.361 11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.701 1.489 12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.090 2.062 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.743 2.449 12.122 1.00 0.00 H new ATOM 673 N VAL A 49 3.471 -4.150 5.579 1.00 0.00 N ATOM 674 CA VAL A 49 2.598 -5.279 5.276 1.00 0.00 C ATOM 675 C VAL A 49 2.613 -6.303 6.406 1.00 0.00 C ATOM 676 O VAL A 49 3.672 -6.791 6.803 1.00 0.00 O ATOM 677 CB VAL A 49 3.012 -5.972 3.964 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.105 -7.159 3.678 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.989 -4.982 2.810 1.00 0.00 C ATOM 0 H VAL A 49 4.459 -4.390 5.660 1.00 0.00 H new ATOM 0 HA VAL A 49 1.590 -4.880 5.165 1.00 0.00 H new ATOM 0 HB VAL A 49 4.031 -6.343 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.413 -7.636 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.177 -7.877 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.075 -6.816 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.284 -5.488 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.982 -4.580 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.684 -4.168 3.015 1.00 0.00 H new ATOM 689 N LEU A 50 1.431 -6.627 6.919 1.00 0.00 N ATOM 690 CA LEU A 50 1.307 -7.595 8.003 1.00 0.00 C ATOM 691 C LEU A 50 0.548 -8.835 7.542 1.00 0.00 C ATOM 692 O LEU A 50 -0.383 -8.744 6.744 1.00 0.00 O ATOM 693 CB LEU A 50 0.593 -6.962 9.199 1.00 0.00 C ATOM 694 CG LEU A 50 1.488 -6.251 10.215 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.578 -7.187 10.713 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.097 -4.997 9.604 1.00 0.00 C ATOM 0 H LEU A 50 0.545 -6.234 6.602 1.00 0.00 H new ATOM 0 HA LEU A 50 2.310 -7.897 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.137 -6.245 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.036 -7.742 9.718 1.00 0.00 H new ATOM 0 HG LEU A 50 0.875 -5.955 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.205 -6.664 11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.122 -8.055 11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.189 -7.514 9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.731 -4.504 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.696 -5.270 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.301 -4.318 9.298 1.00 0.00 H new ATOM 708 N GLY A 51 0.954 -9.995 8.052 1.00 0.00 N ATOM 709 CA GLY A 51 0.300 -11.236 7.683 1.00 0.00 C ATOM 710 C GLY A 51 -0.920 -11.526 8.535 1.00 0.00 C ATOM 711 O GLY A 51 -1.170 -10.865 9.544 1.00 0.00 O ATOM 0 H GLY A 51 1.724 -10.096 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.004 -11.189 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.009 -12.059 7.778 1.00 0.00 H new ATOM 715 N PRO A 52 -1.705 -12.535 8.128 1.00 0.00 N ATOM 716 CA PRO A 52 -2.919 -12.932 8.848 1.00 0.00 C ATOM 717 C PRO A 52 -2.610 -13.584 10.191 1.00 0.00 C ATOM 718 O PRO A 52 -3.379 -13.459 11.145 1.00 0.00 O ATOM 719 CB PRO A 52 -3.577 -13.940 7.903 1.00 0.00 C ATOM 720 CG PRO A 52 -2.454 -14.490 7.094 1.00 0.00 C ATOM 721 CD PRO A 52 -1.468 -13.366 6.937 1.00 0.00 C ATOM 0 HA PRO A 52 -3.550 -12.076 9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.088 -14.727 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.323 -13.460 7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.996 -15.344 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.806 -14.839 6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.442 -13.733 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.639 -12.807 6.017 1.00 0.00 H new ATOM 729 N ARG A 53 -1.479 -14.279 10.260 1.00 0.00 N ATOM 730 CA ARG A 53 -1.069 -14.951 11.487 1.00 0.00 C ATOM 731 C ARG A 53 -0.112 -14.076 12.293 1.00 0.00 C ATOM 732 O ARG A 53 -0.035 -14.185 13.516 1.00 0.00 O ATOM 733 CB ARG A 53 -0.402 -16.289 11.163 1.00 0.00 C ATOM 734 CG ARG A 53 -1.071 -17.044 10.026 1.00 0.00 C ATOM 735 CD ARG A 53 -0.323 -16.857 8.716 1.00 0.00 C ATOM 736 NE ARG A 53 -0.980 -17.545 7.608 1.00 0.00 N ATOM 737 CZ ARG A 53 -0.992 -18.866 7.467 1.00 0.00 C ATOM 738 NH1 ARG A 53 -0.388 -19.637 8.361 1.00 0.00 N ATOM 739 NH2 ARG A 53 -1.611 -19.419 6.432 1.00 0.00 N ATOM 0 H ARG A 53 -0.831 -14.391 9.481 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.961 -15.133 12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.642 -16.112 10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.408 -16.914 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.118 -18.105 10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.098 -16.697 9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.249 -15.793 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.695 -17.232 8.823 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.456 -16.981 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.087 -19.216 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.399 -20.651 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.079 -18.830 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.619 -20.433 6.325 1.00 0.00 H new ATOM 753 N GLY A 54 0.616 -13.208 11.597 1.00 0.00 N ATOM 754 CA GLY A 54 1.559 -12.328 12.263 1.00 0.00 C ATOM 755 C GLY A 54 2.908 -12.294 11.574 1.00 0.00 C ATOM 756 O GLY A 54 3.933 -12.046 12.211 1.00 0.00 O ATOM 0 H GLY A 54 0.570 -13.098 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.147 -11.319 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.690 -12.655 13.295 1.00 0.00 H new ATOM 760 N LEU A 55 2.910 -12.546 10.269 1.00 0.00 N ATOM 761 CA LEU A 55 4.145 -12.545 9.492 1.00 0.00 C ATOM 762 C LEU A 55 4.477 -11.140 9.000 1.00 0.00 C ATOM 763 O LEU A 55 3.583 -10.335 8.737 1.00 0.00 O ATOM 764 CB LEU A 55 4.024 -13.499 8.304 1.00 0.00 C ATOM 765 CG LEU A 55 5.151 -13.434 7.272 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.346 -14.252 7.735 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.662 -13.922 5.916 1.00 0.00 C ATOM 0 H LEU A 55 2.071 -12.753 9.727 1.00 0.00 H new ATOM 0 HA LEU A 55 4.954 -12.883 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.967 -14.518 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.081 -13.296 7.796 1.00 0.00 H new ATOM 0 HG LEU A 55 5.465 -12.395 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.138 -14.194 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.712 -13.857 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.046 -15.292 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.477 -13.869 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.321 -14.954 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.837 -13.294 5.579 1.00 0.00 H new ATOM 779 N VAL A 56 5.768 -10.852 8.873 1.00 0.00 N ATOM 780 CA VAL A 56 6.219 -9.546 8.408 1.00 0.00 C ATOM 781 C VAL A 56 6.847 -9.643 7.022 1.00 0.00 C ATOM 782 O VAL A 56 7.817 -10.371 6.819 1.00 0.00 O ATOM 783 CB VAL A 56 7.241 -8.925 9.380 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.734 -7.587 8.852 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.630 -8.770 10.764 1.00 0.00 C ATOM 0 H VAL A 56 6.521 -11.506 9.086 1.00 0.00 H new ATOM 0 HA VAL A 56 5.338 -8.906 8.361 1.00 0.00 H new ATOM 0 HB VAL A 56 8.098 -9.594 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.455 -7.163 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.211 -7.732 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.890 -6.906 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.364 -8.330 11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.756 -8.121 10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.331 -9.748 11.141 1.00 0.00 H new ATOM 795 N GLU A 57 6.286 -8.902 6.071 1.00 0.00 N ATOM 796 CA GLU A 57 6.792 -8.904 4.703 1.00 0.00 C ATOM 797 C GLU A 57 7.401 -7.552 4.346 1.00 0.00 C ATOM 798 O GLU A 57 6.914 -6.497 4.752 1.00 0.00 O ATOM 799 CB GLU A 57 5.667 -9.245 3.722 1.00 0.00 C ATOM 800 CG GLU A 57 4.957 -10.549 4.040 1.00 0.00 C ATOM 801 CD GLU A 57 3.909 -10.393 5.124 1.00 0.00 C ATOM 802 OE1 GLU A 57 2.903 -9.693 4.881 1.00 0.00 O ATOM 803 OE2 GLU A 57 4.093 -10.970 6.216 1.00 0.00 O ATOM 0 H GLU A 57 5.482 -8.293 6.223 1.00 0.00 H new ATOM 0 HA GLU A 57 7.571 -9.663 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.938 -8.435 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.080 -9.302 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.484 -10.931 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.691 -11.291 4.354 1.00 0.00 H new ATOM 810 N PRO A 58 8.494 -7.584 3.568 1.00 0.00 N ATOM 811 CA PRO A 58 9.195 -6.370 3.138 1.00 0.00 C ATOM 812 C PRO A 58 8.384 -5.557 2.136 1.00 0.00 C ATOM 813 O PRO A 58 7.379 -6.030 1.606 1.00 0.00 O ATOM 814 CB PRO A 58 10.469 -6.910 2.484 1.00 0.00 C ATOM 815 CG PRO A 58 10.112 -8.285 2.038 1.00 0.00 C ATOM 816 CD PRO A 58 9.128 -8.806 3.047 1.00 0.00 C ATOM 0 HA PRO A 58 9.382 -5.690 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.776 -6.288 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.300 -6.926 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.676 -8.270 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.996 -8.921 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.398 -9.473 2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.623 -9.370 3.837 1.00 0.00 H new ATOM 824 N VAL A 59 8.828 -4.330 1.879 1.00 0.00 N ATOM 825 CA VAL A 59 8.144 -3.451 0.938 1.00 0.00 C ATOM 826 C VAL A 59 9.142 -2.641 0.118 1.00 0.00 C ATOM 827 O VAL A 59 10.284 -2.443 0.531 1.00 0.00 O ATOM 828 CB VAL A 59 7.189 -2.486 1.663 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.941 -3.220 2.129 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.893 -1.819 2.835 1.00 0.00 C ATOM 0 H VAL A 59 9.658 -3.923 2.309 1.00 0.00 H new ATOM 0 HA VAL A 59 7.565 -4.090 0.272 1.00 0.00 H new ATOM 0 HB VAL A 59 6.885 -1.709 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.278 -2.522 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.426 -3.646 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.223 -4.019 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.203 -1.140 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.228 -2.580 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.754 -1.258 2.471 1.00 0.00 H new ATOM 840 N ASN A 60 8.703 -2.172 -1.046 1.00 0.00 N ATOM 841 CA ASN A 60 9.558 -1.382 -1.924 1.00 0.00 C ATOM 842 C ASN A 60 9.023 0.040 -2.068 1.00 0.00 C ATOM 843 O ASN A 60 7.814 0.254 -2.154 1.00 0.00 O ATOM 844 CB ASN A 60 9.659 -2.042 -3.300 1.00 0.00 C ATOM 845 CG ASN A 60 10.602 -1.302 -4.229 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.051 -0.705 -5.279 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.812 -1.268 -4.004 1.00 0.00 N flip ATOM 0 H ASN A 60 7.760 -2.326 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 60 10.551 -1.335 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.002 -3.070 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.668 -2.086 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.192 -1.742 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.435 -0.766 -4.637 1.00 0.00 H new ATOM 854 N VAL A 61 9.933 1.008 -2.094 1.00 0.00 N ATOM 855 CA VAL A 61 9.554 2.409 -2.229 1.00 0.00 C ATOM 856 C VAL A 61 10.393 3.105 -3.296 1.00 0.00 C ATOM 857 O VAL A 61 11.575 3.380 -3.091 1.00 0.00 O ATOM 858 CB VAL A 61 9.711 3.164 -0.896 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.371 4.636 -1.072 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.841 2.533 0.179 1.00 0.00 C ATOM 0 H VAL A 61 10.938 0.848 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 61 8.506 2.426 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 61 10.751 3.092 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.488 5.153 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.041 5.078 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.340 4.733 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.965 3.079 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.796 2.572 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.138 1.494 0.324 1.00 0.00 H new ATOM 870 N VAL A 62 9.772 3.387 -4.438 1.00 0.00 N ATOM 871 CA VAL A 62 10.460 4.052 -5.537 1.00 0.00 C ATOM 872 C VAL A 62 9.638 5.218 -6.075 1.00 0.00 C ATOM 873 O VAL A 62 8.519 5.033 -6.553 1.00 0.00 O ATOM 874 CB VAL A 62 10.756 3.072 -6.689 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.429 3.796 -7.846 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.617 1.919 -6.198 1.00 0.00 C ATOM 0 H VAL A 62 8.794 3.165 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 62 11.402 4.429 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 62 9.811 2.663 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.630 3.088 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.772 4.585 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.367 4.234 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.817 1.236 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.560 2.307 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.093 1.385 -5.405 1.00 0.00 H new ATOM 886 N ASP A 63 10.201 6.418 -5.994 1.00 0.00 N ATOM 887 CA ASP A 63 9.521 7.616 -6.474 1.00 0.00 C ATOM 888 C ASP A 63 9.563 7.691 -7.997 1.00 0.00 C ATOM 889 O ASP A 63 10.610 7.485 -8.610 1.00 0.00 O ATOM 890 CB ASP A 63 10.161 8.868 -5.872 1.00 0.00 C ATOM 891 CG ASP A 63 9.248 10.076 -5.941 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.331 10.078 -6.790 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.449 11.019 -5.148 1.00 0.00 O ATOM 0 H ASP A 63 11.127 6.588 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 63 8.479 7.563 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.424 8.674 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.089 9.087 -6.400 1.00 0.00 H new ATOM 898 N ASN A 64 8.417 7.986 -8.601 1.00 0.00 N ATOM 899 CA ASN A 64 8.322 8.086 -10.054 1.00 0.00 C ATOM 900 C ASN A 64 9.010 9.352 -10.557 1.00 0.00 C ATOM 901 O ASN A 64 9.730 9.325 -11.554 1.00 0.00 O ATOM 902 CB ASN A 64 6.857 8.080 -10.492 1.00 0.00 C ATOM 903 CG ASN A 64 6.223 6.707 -10.371 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.930 6.297 -9.143 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 6.002 6.023 -11.371 1.00 0.00 N flip ATOM 0 H ASN A 64 7.541 8.160 -8.108 1.00 0.00 H new ATOM 0 HA ASN A 64 8.826 7.222 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.296 8.791 -9.885 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.788 8.419 -11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.244 6.379 -12.296 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.577 5.101 -11.274 1.00 0.00 H new ATOM 912 N GLY A 65 8.780 10.461 -9.860 1.00 0.00 N ATOM 913 CA GLY A 65 9.385 11.721 -10.252 1.00 0.00 C ATOM 914 C GLY A 65 8.355 12.752 -10.671 1.00 0.00 C ATOM 915 O GLY A 65 8.606 13.955 -10.599 1.00 0.00 O ATOM 0 H GLY A 65 8.186 10.509 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.971 12.114 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.077 11.548 -11.076 1.00 0.00 H new ATOM 919 N ASP A 66 7.194 12.281 -11.111 1.00 0.00 N ATOM 920 CA ASP A 66 6.123 13.170 -11.545 1.00 0.00 C ATOM 921 C ASP A 66 5.252 13.589 -10.364 1.00 0.00 C ATOM 922 O ASP A 66 4.820 14.736 -10.275 1.00 0.00 O ATOM 923 CB ASP A 66 5.264 12.489 -12.611 1.00 0.00 C ATOM 924 CG ASP A 66 5.786 12.727 -14.014 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.667 13.869 -14.506 1.00 0.00 O ATOM 926 OD2 ASP A 66 6.312 11.771 -14.623 1.00 0.00 O ATOM 0 H ASP A 66 6.970 11.288 -11.177 1.00 0.00 H new ATOM 0 HA ASP A 66 6.578 14.063 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.230 11.417 -12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.241 12.858 -12.540 1.00 0.00 H new ATOM 931 N GLY A 67 4.998 12.648 -9.460 1.00 0.00 N ATOM 932 CA GLY A 67 4.180 12.937 -8.298 1.00 0.00 C ATOM 933 C GLY A 67 3.527 11.695 -7.723 1.00 0.00 C ATOM 934 O GLY A 67 2.406 11.749 -7.218 1.00 0.00 O ATOM 0 H GLY A 67 5.345 11.690 -9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.796 13.407 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.408 13.656 -8.571 1.00 0.00 H new ATOM 938 N THR A 68 4.230 10.569 -7.802 1.00 0.00 N ATOM 939 CA THR A 68 3.713 9.307 -7.289 1.00 0.00 C ATOM 940 C THR A 68 4.844 8.400 -6.819 1.00 0.00 C ATOM 941 O THR A 68 6.020 8.737 -6.953 1.00 0.00 O ATOM 942 CB THR A 68 2.884 8.566 -8.354 1.00 0.00 C ATOM 943 OG1 THR A 68 3.716 8.210 -9.463 1.00 0.00 O ATOM 944 CG2 THR A 68 1.727 9.428 -8.837 1.00 0.00 C ATOM 0 H THR A 68 5.160 10.506 -8.217 1.00 0.00 H new ATOM 0 HA THR A 68 3.070 9.549 -6.443 1.00 0.00 H new ATOM 0 HB THR A 68 2.478 7.662 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.181 7.738 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.156 8.883 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.079 9.672 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.116 10.348 -9.273 1.00 0.00 H new ATOM 952 N HIS A 69 4.480 7.245 -6.268 1.00 0.00 N ATOM 953 CA HIS A 69 5.465 6.287 -5.779 1.00 0.00 C ATOM 954 C HIS A 69 4.981 4.856 -5.988 1.00 0.00 C ATOM 955 O HIS A 69 3.849 4.515 -5.646 1.00 0.00 O ATOM 956 CB HIS A 69 5.750 6.529 -4.296 1.00 0.00 C ATOM 957 CG HIS A 69 6.106 7.949 -3.979 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.383 9.088 -4.084 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.340 8.325 -3.492 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.183 10.120 -3.661 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.359 9.634 -3.308 1.00 0.00 N flip ATOM 0 H HIS A 69 3.511 6.951 -6.149 1.00 0.00 H new ATOM 0 HA HIS A 69 6.385 6.428 -6.346 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.873 6.244 -3.715 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.566 5.879 -3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.163 7.655 -3.292 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.897 11.161 -3.623 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.147 10.176 -2.954 1.00 0.00 H new ATOM 970 N THR A 70 5.847 4.021 -6.555 1.00 0.00 N ATOM 971 CA THR A 70 5.508 2.627 -6.812 1.00 0.00 C ATOM 972 C THR A 70 5.912 1.738 -5.642 1.00 0.00 C ATOM 973 O THR A 70 6.978 1.916 -5.053 1.00 0.00 O ATOM 974 CB THR A 70 6.189 2.110 -8.093 1.00 0.00 C ATOM 975 OG1 THR A 70 5.609 2.736 -9.243 1.00 0.00 O ATOM 976 CG2 THR A 70 6.052 0.599 -8.208 1.00 0.00 C ATOM 0 H THR A 70 6.788 4.286 -6.845 1.00 0.00 H new ATOM 0 HA THR A 70 4.427 2.584 -6.941 1.00 0.00 H new ATOM 0 HB THR A 70 7.249 2.359 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.049 2.403 -10.053 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.541 0.258 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.521 0.124 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.996 0.331 -8.240 1.00 0.00 H new ATOM 984 N VAL A 71 5.053 0.778 -5.310 1.00 0.00 N ATOM 985 CA VAL A 71 5.322 -0.140 -4.210 1.00 0.00 C ATOM 986 C VAL A 71 5.132 -1.589 -4.645 1.00 0.00 C ATOM 987 O VAL A 71 4.004 -2.075 -4.753 1.00 0.00 O ATOM 988 CB VAL A 71 4.409 0.146 -3.004 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.679 -0.846 -1.882 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.600 1.575 -2.519 1.00 0.00 C ATOM 0 H VAL A 71 4.166 0.617 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 71 6.360 0.015 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 71 3.372 0.028 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.024 -0.628 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.488 -1.858 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.719 -0.763 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.947 1.760 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.638 1.722 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.352 2.268 -3.323 1.00 0.00 H new ATOM 1000 N THR A 72 6.241 -2.278 -4.896 1.00 0.00 N ATOM 1001 CA THR A 72 6.197 -3.671 -5.320 1.00 0.00 C ATOM 1002 C THR A 72 6.292 -4.613 -4.126 1.00 0.00 C ATOM 1003 O THR A 72 7.070 -4.381 -3.200 1.00 0.00 O ATOM 1004 CB THR A 72 7.336 -3.994 -6.307 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.598 -3.652 -5.725 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.151 -3.237 -7.613 1.00 0.00 C ATOM 0 H THR A 72 7.182 -1.893 -4.813 1.00 0.00 H new ATOM 0 HA THR A 72 5.240 -3.819 -5.820 1.00 0.00 H new ATOM 0 HB THR A 72 7.312 -5.063 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.317 -3.861 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.967 -3.481 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.202 -3.522 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.152 -2.165 -7.415 1.00 0.00 H new ATOM 1014 N TYR A 73 5.496 -5.676 -4.152 1.00 0.00 N ATOM 1015 CA TYR A 73 5.489 -6.654 -3.070 1.00 0.00 C ATOM 1016 C TYR A 73 4.806 -7.946 -3.507 1.00 0.00 C ATOM 1017 O TYR A 73 4.052 -7.966 -4.480 1.00 0.00 O ATOM 1018 CB TYR A 73 4.782 -6.080 -1.841 1.00 0.00 C ATOM 1019 CG TYR A 73 3.289 -6.319 -1.836 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.755 -7.492 -1.316 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.412 -5.371 -2.350 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.392 -7.715 -1.309 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.047 -5.585 -2.345 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.542 -6.758 -1.825 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.816 -6.977 -1.819 1.00 0.00 O ATOM 0 H TYR A 73 4.847 -5.883 -4.911 1.00 0.00 H new ATOM 0 HA TYR A 73 6.524 -6.881 -2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.215 -6.521 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.970 -5.008 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.417 -8.242 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.804 -4.452 -2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.994 -8.633 -0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.379 -4.837 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.273 -6.207 -2.217 1.00 0.00 H new ATOM 1035 N THR A 74 5.077 -9.025 -2.780 1.00 0.00 N ATOM 1036 CA THR A 74 4.491 -10.323 -3.090 1.00 0.00 C ATOM 1037 C THR A 74 4.047 -11.043 -1.822 1.00 0.00 C ATOM 1038 O THR A 74 4.853 -11.374 -0.952 1.00 0.00 O ATOM 1039 CB THR A 74 5.482 -11.218 -3.856 1.00 0.00 C ATOM 1040 OG1 THR A 74 5.813 -10.620 -5.113 1.00 0.00 O ATOM 1041 CG2 THR A 74 4.895 -12.603 -4.086 1.00 0.00 C ATOM 0 H THR A 74 5.699 -9.026 -1.972 1.00 0.00 H new ATOM 0 HA THR A 74 3.622 -10.135 -3.720 1.00 0.00 H new ATOM 0 HB THR A 74 6.385 -11.319 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.445 -11.195 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.613 -13.217 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.673 -13.068 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.978 -12.517 -4.668 1.00 0.00 H new ATOM 1049 N PRO A 75 2.734 -11.294 -1.712 1.00 0.00 N ATOM 1050 CA PRO A 75 2.153 -11.980 -0.553 1.00 0.00 C ATOM 1051 C PRO A 75 2.540 -13.454 -0.499 1.00 0.00 C ATOM 1052 O PRO A 75 1.849 -14.307 -1.057 1.00 0.00 O ATOM 1053 CB PRO A 75 0.646 -11.829 -0.771 1.00 0.00 C ATOM 1054 CG PRO A 75 0.490 -11.665 -2.243 1.00 0.00 C ATOM 1055 CD PRO A 75 1.715 -10.928 -2.710 1.00 0.00 C ATOM 0 HA PRO A 75 2.505 -11.560 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.104 -12.704 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.253 -10.967 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.405 -12.633 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.415 -11.106 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.009 -11.233 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.549 -9.851 -2.739 1.00 0.00 H new ATOM 1063 N SER A 76 3.647 -13.747 0.176 1.00 0.00 N ATOM 1064 CA SER A 76 4.126 -15.118 0.300 1.00 0.00 C ATOM 1065 C SER A 76 2.958 -16.096 0.393 1.00 0.00 C ATOM 1066 O SER A 76 2.876 -17.054 -0.375 1.00 0.00 O ATOM 1067 CB SER A 76 5.022 -15.258 1.533 1.00 0.00 C ATOM 1068 OG SER A 76 4.338 -14.857 2.708 1.00 0.00 O ATOM 0 H SER A 76 4.229 -13.053 0.645 1.00 0.00 H new ATOM 0 HA SER A 76 4.706 -15.356 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.348 -16.293 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.919 -14.652 1.406 1.00 0.00 H new ATOM 0 HG SER A 76 4.867 -15.104 3.495 1.00 0.00 H new ATOM 1074 N GLN A 77 2.057 -15.844 1.337 1.00 0.00 N ATOM 1075 CA GLN A 77 0.895 -16.702 1.530 1.00 0.00 C ATOM 1076 C GLN A 77 -0.398 -15.905 1.395 1.00 0.00 C ATOM 1077 O GLN A 77 -0.405 -14.683 1.546 1.00 0.00 O ATOM 1078 CB GLN A 77 0.951 -17.373 2.904 1.00 0.00 C ATOM 1079 CG GLN A 77 0.997 -16.387 4.061 1.00 0.00 C ATOM 1080 CD GLN A 77 1.596 -16.988 5.317 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.126 -18.100 5.295 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.514 -16.256 6.422 1.00 0.00 N ATOM 0 H GLN A 77 2.110 -15.053 1.979 1.00 0.00 H new ATOM 0 HA GLN A 77 0.911 -17.470 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.079 -18.017 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.830 -18.016 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.580 -15.514 3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.013 -16.038 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.066 -15.340 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.899 -16.610 7.298 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.492 -16.604 1.107 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.790 -15.960 0.950 1.00 0.00 C ATOM 1093 C GLU A 78 -3.420 -15.664 2.308 1.00 0.00 C ATOM 1094 O GLU A 78 -2.884 -16.043 3.348 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.727 -16.846 0.124 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.138 -18.125 0.834 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.250 -17.902 1.840 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.217 -17.185 1.508 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.153 -18.446 2.960 1.00 0.00 O ATOM 0 H GLU A 78 -1.505 -17.616 0.978 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.637 -15.016 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.622 -16.277 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.236 -17.103 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.463 -18.858 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.272 -18.548 1.343 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.561 -14.982 2.289 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.244 -14.644 3.525 1.00 0.00 C ATOM 1108 C GLY A 79 -5.493 -13.156 3.662 1.00 0.00 C ATOM 1109 O GLY A 79 -5.092 -12.357 2.816 1.00 0.00 O ATOM 0 H GLY A 79 -5.025 -14.657 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.196 -15.174 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.650 -14.989 4.371 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.173 -12.764 4.750 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.492 -11.358 5.019 1.00 0.00 C ATOM 1115 C PRO A 80 -5.255 -10.542 5.378 1.00 0.00 C ATOM 1116 O PRO A 80 -4.925 -10.381 6.553 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.447 -11.434 6.214 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.105 -12.717 6.891 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.682 -13.661 5.800 1.00 0.00 C ATOM 0 HA PRO A 80 -6.917 -10.862 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.312 -10.585 6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.488 -11.422 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.304 -12.574 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.962 -13.111 7.437 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.914 -14.354 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.518 -14.263 5.443 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.575 -10.029 4.359 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.373 -9.229 4.566 1.00 0.00 C ATOM 1129 C TYR A 81 -3.731 -7.803 4.972 1.00 0.00 C ATOM 1130 O TYR A 81 -4.891 -7.399 4.905 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.522 -9.213 3.296 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.506 -10.331 3.234 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.886 -11.654 3.422 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.164 -10.064 2.988 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.962 -12.678 3.367 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.767 -11.083 2.929 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.363 -12.388 3.119 1.00 0.00 C ATOM 1138 OH TYR A 81 1.289 -13.405 3.064 1.00 0.00 O ATOM 0 H TYR A 81 -4.836 -10.153 3.381 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.799 -9.683 5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.178 -9.281 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.003 -8.257 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.923 -11.885 3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.156 -9.043 2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.275 -13.701 3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.806 -10.859 2.735 1.00 0.00 H new ATOM 0 HH TYR A 81 0.858 -14.223 2.739 1.00 0.00 H new ATOM 1148 N MET A 82 -2.724 -7.044 5.391 1.00 0.00 N ATOM 1149 CA MET A 82 -2.930 -5.661 5.806 1.00 0.00 C ATOM 1150 C MET A 82 -1.734 -4.795 5.425 1.00 0.00 C ATOM 1151 O MET A 82 -0.613 -5.034 5.877 1.00 0.00 O ATOM 1152 CB MET A 82 -3.168 -5.589 7.315 1.00 0.00 C ATOM 1153 CG MET A 82 -3.649 -4.228 7.790 1.00 0.00 C ATOM 1154 SD MET A 82 -4.533 -4.312 9.360 1.00 0.00 S ATOM 1155 CE MET A 82 -3.176 -4.180 10.520 1.00 0.00 C ATOM 0 H MET A 82 -1.757 -7.363 5.452 1.00 0.00 H new ATOM 0 HA MET A 82 -3.810 -5.280 5.289 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.904 -6.343 7.595 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.242 -5.839 7.833 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.793 -3.561 7.895 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.302 -3.793 7.033 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.563 -4.216 11.538 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.483 -5.007 10.365 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.654 -3.236 10.364 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.978 -3.789 4.591 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.921 -2.887 4.150 1.00 0.00 C ATOM 1167 C VAL A 83 -1.107 -1.493 4.738 1.00 0.00 C ATOM 1168 O VAL A 83 -1.873 -0.684 4.213 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.875 -2.783 2.615 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.185 -1.785 2.178 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.620 -4.150 1.996 1.00 0.00 C ATOM 0 H VAL A 83 -2.899 -3.578 4.207 1.00 0.00 H new ATOM 0 HA VAL A 83 0.020 -3.306 4.506 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.843 -2.425 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.202 -1.726 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.047 -0.803 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.161 -2.109 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.591 -4.058 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.334 -4.539 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.420 -4.833 2.281 1.00 0.00 H new ATOM 1181 N SER A 84 -0.404 -1.217 5.831 1.00 0.00 N ATOM 1182 CA SER A 84 -0.494 0.079 6.493 1.00 0.00 C ATOM 1183 C SER A 84 0.387 1.109 5.793 1.00 0.00 C ATOM 1184 O SER A 84 1.484 0.793 5.330 1.00 0.00 O ATOM 1185 CB SER A 84 -0.084 -0.045 7.962 1.00 0.00 C ATOM 1186 OG SER A 84 -0.639 -1.210 8.549 1.00 0.00 O ATOM 0 H SER A 84 0.235 -1.874 6.278 1.00 0.00 H new ATOM 0 HA SER A 84 -1.529 0.415 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.003 -0.078 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.416 0.836 8.511 1.00 0.00 H new ATOM 0 HG SER A 84 -0.361 -1.268 9.487 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.100 2.344 5.719 1.00 0.00 N ATOM 1193 CA VAL A 85 0.642 3.421 5.076 1.00 0.00 C ATOM 1194 C VAL A 85 0.596 4.695 5.913 1.00 0.00 C ATOM 1195 O VAL A 85 -0.408 4.988 6.563 1.00 0.00 O ATOM 1196 CB VAL A 85 0.089 3.724 3.670 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.796 4.927 3.066 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.229 2.505 2.771 1.00 0.00 C ATOM 0 H VAL A 85 -1.006 2.623 6.097 1.00 0.00 H new ATOM 0 HA VAL A 85 1.675 3.084 4.987 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.971 3.963 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.392 5.126 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.640 5.798 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.864 4.721 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.166 2.735 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.281 2.234 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.328 1.671 3.199 1.00 0.00 H new ATOM 1208 N LYS A 86 1.689 5.450 5.892 1.00 0.00 N ATOM 1209 CA LYS A 86 1.774 6.695 6.647 1.00 0.00 C ATOM 1210 C LYS A 86 2.318 7.822 5.777 1.00 0.00 C ATOM 1211 O LYS A 86 2.816 7.586 4.675 1.00 0.00 O ATOM 1212 CB LYS A 86 2.667 6.509 7.877 1.00 0.00 C ATOM 1213 CG LYS A 86 2.261 7.371 9.059 1.00 0.00 C ATOM 1214 CD LYS A 86 2.993 6.961 10.326 1.00 0.00 C ATOM 1215 CE LYS A 86 2.444 7.687 11.546 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.486 7.873 12.594 1.00 0.00 N ATOM 0 H LYS A 86 2.529 5.222 5.360 1.00 0.00 H new ATOM 0 HA LYS A 86 0.769 6.964 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.644 5.461 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.697 6.740 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.473 8.417 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.186 7.290 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.900 5.884 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.056 7.178 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.053 8.659 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.609 7.122 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.186 7.399 13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.384 7.462 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.617 8.888 12.777 1.00 0.00 H new ATOM 1230 N TYR A 87 2.223 9.048 6.278 1.00 0.00 N ATOM 1231 CA TYR A 87 2.704 10.214 5.546 1.00 0.00 C ATOM 1232 C TYR A 87 3.068 11.346 6.501 1.00 0.00 C ATOM 1233 O TYR A 87 2.193 12.007 7.060 1.00 0.00 O ATOM 1234 CB TYR A 87 1.645 10.691 4.551 1.00 0.00 C ATOM 1235 CG TYR A 87 2.219 11.427 3.362 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.962 10.758 2.397 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.018 12.794 3.203 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.489 11.427 1.309 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.540 13.470 2.118 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.276 12.782 1.173 1.00 0.00 C ATOM 1241 OH TYR A 87 3.798 13.453 0.092 1.00 0.00 O ATOM 0 H TYR A 87 1.817 9.261 7.189 1.00 0.00 H new ATOM 0 HA TYR A 87 3.601 9.923 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.078 9.830 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.942 11.344 5.067 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.131 9.696 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.444 13.336 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.065 10.891 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.374 14.532 2.009 1.00 0.00 H new ATOM 0 HH TYR A 87 4.777 13.447 0.144 1.00 0.00 H new ATOM 1251 N ALA A 88 4.367 11.564 6.682 1.00 0.00 N ATOM 1252 CA ALA A 88 4.848 12.617 7.568 1.00 0.00 C ATOM 1253 C ALA A 88 4.433 12.355 9.011 1.00 0.00 C ATOM 1254 O ALA A 88 3.980 13.260 9.712 1.00 0.00 O ATOM 1255 CB ALA A 88 4.331 13.972 7.106 1.00 0.00 C ATOM 0 H ALA A 88 5.104 11.026 6.227 1.00 0.00 H new ATOM 0 HA ALA A 88 5.937 12.622 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.698 14.749 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.683 14.170 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.241 13.968 7.116 1.00 0.00 H new ATOM 1261 N ASP A 89 4.587 11.110 9.449 1.00 0.00 N ATOM 1262 CA ASP A 89 4.228 10.728 10.809 1.00 0.00 C ATOM 1263 C ASP A 89 2.732 10.906 11.047 1.00 0.00 C ATOM 1264 O ASP A 89 2.305 11.239 12.151 1.00 0.00 O ATOM 1265 CB ASP A 89 5.020 11.559 11.821 1.00 0.00 C ATOM 1266 CG ASP A 89 6.397 10.985 12.089 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.295 11.177 11.241 1.00 0.00 O ATOM 1268 OD2 ASP A 89 6.578 10.345 13.145 1.00 0.00 O ATOM 0 H ASP A 89 4.958 10.348 8.881 1.00 0.00 H new ATOM 0 HA ASP A 89 4.476 9.675 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.121 12.579 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.464 11.614 12.757 1.00 0.00 H new ATOM 1273 N GLU A 90 1.940 10.684 10.002 1.00 0.00 N ATOM 1274 CA GLU A 90 0.492 10.821 10.097 1.00 0.00 C ATOM 1275 C GLU A 90 -0.212 9.750 9.270 1.00 0.00 C ATOM 1276 O GLU A 90 -0.253 9.827 8.043 1.00 0.00 O ATOM 1277 CB GLU A 90 0.059 12.212 9.626 1.00 0.00 C ATOM 1278 CG GLU A 90 0.603 13.342 10.484 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.324 13.705 11.627 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -0.308 12.995 12.653 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -1.065 14.702 11.494 1.00 0.00 O ATOM 0 H GLU A 90 2.278 10.408 9.080 1.00 0.00 H new ATOM 0 HA GLU A 90 0.208 10.693 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.389 12.357 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.030 12.262 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.574 13.053 10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.766 14.221 9.860 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.764 8.751 9.953 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.465 7.663 9.281 1.00 0.00 C ATOM 1290 C GLU A 91 -2.588 8.203 8.400 1.00 0.00 C ATOM 1291 O GLU A 91 -3.586 8.723 8.898 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.034 6.683 10.309 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.107 5.517 10.616 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.387 4.892 11.968 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.571 4.626 12.265 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.423 4.667 12.729 1.00 0.00 O ATOM 0 H GLU A 91 -0.739 8.673 10.970 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.750 7.139 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.246 7.221 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.984 6.294 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.213 4.759 9.840 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.073 5.861 10.586 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.417 8.073 7.088 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.415 8.546 6.138 1.00 0.00 C ATOM 1305 C ILE A 92 -4.810 8.055 6.515 1.00 0.00 C ATOM 1306 O ILE A 92 -4.977 7.018 7.157 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.092 8.085 4.705 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.047 6.557 4.636 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.770 8.680 4.243 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.908 6.019 3.229 1.00 0.00 C ATOM 0 H ILE A 92 -1.597 7.644 6.660 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.393 9.635 6.174 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.880 8.437 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.211 6.199 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.956 6.154 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.555 8.345 3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.835 9.768 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.972 8.354 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.883 4.930 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.756 6.347 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.984 6.392 2.786 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.835 8.818 6.108 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.233 8.480 6.389 1.00 0.00 C ATOM 1324 C PRO A 93 -7.703 7.257 5.608 1.00 0.00 C ATOM 1325 O PRO A 93 -8.875 6.884 5.666 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.997 9.727 5.939 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.121 10.358 4.914 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.709 10.067 5.339 1.00 0.00 C ATOM 0 HA PRO A 93 -7.387 8.224 7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.970 9.466 5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.179 10.403 6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.322 9.949 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.298 11.432 4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.048 9.946 4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.298 10.873 5.947 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.781 6.636 4.879 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.102 5.456 4.086 1.00 0.00 C ATOM 1338 C ARG A 94 -6.339 4.236 4.594 1.00 0.00 C ATOM 1339 O ARG A 94 -6.474 3.137 4.054 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.771 5.700 2.613 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.732 6.654 1.922 1.00 0.00 C ATOM 1342 CD ARG A 94 -7.045 7.426 0.806 1.00 0.00 C ATOM 1343 NE ARG A 94 -6.462 8.676 1.284 1.00 0.00 N ATOM 1344 CZ ARG A 94 -7.148 9.807 1.408 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -8.436 9.842 1.094 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -6.548 10.904 1.850 1.00 0.00 N ATOM 0 H ARG A 94 -5.806 6.931 4.821 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.170 5.263 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.760 6.099 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.777 4.746 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.573 6.093 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.140 7.353 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.264 6.807 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.766 7.641 0.017 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.474 8.681 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.902 9.000 0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.961 10.711 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.558 10.880 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.076 11.771 1.945 1.00 0.00 H new ATOM 1360 N SER A 95 -5.539 4.437 5.636 1.00 0.00 N ATOM 1361 CA SER A 95 -4.750 3.355 6.214 1.00 0.00 C ATOM 1362 C SER A 95 -5.202 3.057 7.641 1.00 0.00 C ATOM 1363 O SER A 95 -5.731 3.918 8.344 1.00 0.00 O ATOM 1364 CB SER A 95 -3.264 3.714 6.202 1.00 0.00 C ATOM 1365 OG SER A 95 -2.589 3.127 7.302 1.00 0.00 O ATOM 0 H SER A 95 -5.420 5.339 6.097 1.00 0.00 H new ATOM 0 HA SER A 95 -4.904 2.462 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.812 3.374 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.148 4.797 6.236 1.00 0.00 H new ATOM 0 HG SER A 95 -1.776 3.638 7.497 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.990 1.807 8.080 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.362 0.774 7.251 1.00 0.00 C ATOM 1373 C PRO A 96 -5.262 0.324 6.104 1.00 0.00 C ATOM 1374 O PRO A 96 -6.435 0.692 6.042 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.131 -0.377 8.233 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.157 -0.180 9.295 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.346 1.307 9.417 1.00 0.00 C ATOM 0 HA PRO A 96 -3.451 1.133 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.248 -1.344 7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.123 -0.349 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.093 -0.672 9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.828 -0.610 10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.373 1.561 9.681 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.704 1.732 10.189 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.705 -0.476 5.200 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.458 -0.976 4.056 1.00 0.00 C ATOM 1387 C PHE A 97 -5.725 -2.472 4.192 1.00 0.00 C ATOM 1388 O PHE A 97 -4.866 -3.229 4.646 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.699 -0.698 2.757 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.656 0.757 2.388 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.677 1.327 1.644 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.594 1.556 2.784 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.641 2.666 1.303 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.553 2.895 2.445 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.577 3.450 1.703 1.00 0.00 C ATOM 0 H PHE A 97 -3.736 -0.791 5.238 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.415 -0.455 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.679 -1.070 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.166 -1.257 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.511 0.718 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.790 1.127 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.444 3.098 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.721 3.507 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.546 4.496 1.436 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.922 -2.893 3.797 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.303 -4.298 3.873 1.00 0.00 C ATOM 1407 C LYS A 98 -7.185 -4.968 2.508 1.00 0.00 C ATOM 1408 O LYS A 98 -7.963 -4.686 1.597 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.736 -4.431 4.395 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.770 -3.750 3.517 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.956 -3.259 4.329 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.900 -4.399 4.682 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.924 -4.618 3.623 1.00 0.00 N ATOM 0 H LYS A 98 -7.645 -2.280 3.421 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.623 -4.796 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.985 -5.489 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.789 -4.008 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.310 -2.909 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.115 -4.446 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.601 -2.783 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.496 -2.500 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.326 -5.314 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.396 -4.180 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.548 -5.403 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.488 -3.753 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.452 -4.852 2.726 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.207 -5.859 2.375 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.988 -6.572 1.121 1.00 0.00 C ATOM 1429 C VAL A 99 -6.133 -8.078 1.313 1.00 0.00 C ATOM 1430 O VAL A 99 -5.228 -8.740 1.820 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.594 -6.272 0.540 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.373 -7.052 -0.746 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.428 -4.778 0.303 1.00 0.00 C ATOM 0 H VAL A 99 -5.554 -6.104 3.119 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.747 -6.222 0.422 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.841 -6.589 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.383 -6.827 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.448 -8.120 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.129 -6.769 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.437 -4.583 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.187 -4.435 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.541 -4.245 1.247 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.278 -8.614 0.904 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.543 -10.042 1.029 1.00 0.00 C ATOM 1445 C LYS A 100 -6.885 -10.818 -0.107 1.00 0.00 C ATOM 1446 O LYS A 100 -7.395 -10.850 -1.227 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.051 -10.304 1.035 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.418 -11.735 1.386 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.796 -12.102 0.860 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.199 -13.505 1.287 1.00 0.00 C ATOM 1451 NZ LYS A 100 -10.519 -14.550 0.474 1.00 0.00 N ATOM 0 H LYS A 100 -8.038 -8.080 0.483 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.118 -10.384 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.525 -9.631 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.457 -10.064 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.675 -12.415 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.395 -11.863 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.530 -11.384 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.801 -12.036 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.955 -13.648 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.279 -13.617 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.065 -15.434 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.454 -14.233 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.563 -14.714 0.849 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.751 -11.445 0.189 1.00 0.00 N ATOM 1466 CA VAL A 101 -5.025 -12.224 -0.807 1.00 0.00 C ATOM 1467 C VAL A 101 -5.742 -13.534 -1.109 1.00 0.00 C ATOM 1468 O VAL A 101 -6.388 -14.118 -0.237 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.589 -12.533 -0.341 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.833 -13.300 -1.415 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.860 -11.248 0.021 1.00 0.00 C ATOM 0 H VAL A 101 -5.315 -11.429 1.111 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.983 -11.619 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.640 -13.159 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.821 -13.509 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.347 -14.239 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.788 -12.702 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.847 -11.484 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.817 -10.596 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.393 -10.742 0.826 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.626 -13.993 -2.351 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.264 -15.236 -2.771 1.00 0.00 C ATOM 1483 C LEU A 102 -5.219 -16.286 -3.139 1.00 0.00 C ATOM 1484 O LEU A 102 -4.090 -15.969 -3.514 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.190 -14.981 -3.960 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.513 -14.284 -3.644 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.200 -13.837 -4.925 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.423 -15.204 -2.842 1.00 0.00 C ATOM 0 H LEU A 102 -5.096 -13.523 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.854 -15.614 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.651 -14.379 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.411 -15.937 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.301 -13.400 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.140 -13.343 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.554 -13.142 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.399 -14.705 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.360 -14.691 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.628 -16.106 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.934 -15.474 -1.906 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.604 -17.566 -3.032 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.717 -18.689 -3.353 1.00 0.00 C ATOM 1502 C PRO A 103 -4.435 -18.796 -4.847 1.00 0.00 C ATOM 1503 O PRO A 103 -5.356 -18.888 -5.660 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.502 -19.911 -2.868 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.929 -19.486 -2.913 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.936 -18.017 -2.591 1.00 0.00 C ATOM 0 HA PRO A 103 -3.738 -18.581 -2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.326 -20.775 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.206 -20.197 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.360 -19.672 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.525 -20.046 -2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.733 -17.493 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.089 -17.839 -1.526 1.00 0.00 H new ATOM 1514 N THR A 104 -3.155 -18.783 -5.205 1.00 0.00 N ATOM 1515 CA THR A 104 -2.750 -18.879 -6.601 1.00 0.00 C ATOM 1516 C THR A 104 -3.669 -19.814 -7.378 1.00 0.00 C ATOM 1517 O THR A 104 -3.884 -19.635 -8.577 1.00 0.00 O ATOM 1518 CB THR A 104 -1.298 -19.377 -6.734 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.395 -18.406 -6.192 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.949 -19.645 -8.190 1.00 0.00 C ATOM 0 H THR A 104 -2.380 -18.707 -4.546 1.00 0.00 H new ATOM 0 HA THR A 104 -2.821 -17.875 -7.019 1.00 0.00 H new ATOM 0 HB THR A 104 -1.205 -20.309 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.870 -17.560 -6.051 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.081 -19.996 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.619 -20.406 -8.591 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.059 -18.726 -8.766 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.210 -20.811 -6.687 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.105 -21.777 -7.313 1.00 0.00 C ATOM 1530 C TYR A 105 -6.561 -21.471 -6.971 1.00 0.00 C ATOM 1531 O TYR A 105 -6.873 -21.044 -5.859 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.753 -23.196 -6.863 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.388 -23.656 -7.325 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.237 -23.250 -6.661 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.249 -24.494 -8.424 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.987 -23.667 -7.078 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.005 -24.916 -8.848 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.877 -24.500 -8.172 1.00 0.00 C ATOM 1539 OH TYR A 105 0.366 -24.917 -8.593 1.00 0.00 O ATOM 0 H TYR A 105 -4.044 -20.971 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.980 -21.703 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.794 -23.244 -5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.507 -23.886 -7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.321 -22.597 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.130 -24.821 -8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.102 -23.343 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.915 -25.568 -9.704 1.00 0.00 H new ATOM 0 HH TYR A 105 0.268 -25.500 -9.375 1.00 0.00 H new