USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot -139:sc= -0.587 USER MOD Set 2.1: A 37 SER OG : rot 120:sc= 0.00756 USER MOD Set 2.2: A 69 HIS :FLIP no HD1:sc= -2.5! C(o=-3.9!,f=-1.7!) USER MOD Set 2.3: A 87 TYR OH : rot -76:sc= 0.779 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.713 F(o=-4!,f=-1.2) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.52 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= -0.309 F(o=-3.6!,f=-1) USER MOD Set 4.2: A 72 THR OG1 : rot 180:sc= -0.724 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= -4.05! C(o=-4.1!,f=-4.5!) USER MOD Single : A 32 SER OG : rot 36:sc= 0.161 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -8:sc= 0.0789 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00315 USER MOD Single : A 76 SER OG : rot 121:sc= 0.834 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.185 F(o=-2.6!,f=-0.19) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.925 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 139:sc= -0.531 (180deg=-3.03!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -45:sc= -0.343 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.925 20.379 4.868 1.00 0.00 N ATOM 83 CA VAL A 9 1.766 18.978 4.495 1.00 0.00 C ATOM 84 C VAL A 9 0.381 18.464 4.871 1.00 0.00 C ATOM 85 O VAL A 9 -0.102 18.704 5.977 1.00 0.00 O ATOM 86 CB VAL A 9 2.831 18.093 5.170 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.510 16.621 4.965 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.215 18.425 4.635 1.00 0.00 C ATOM 0 HA VAL A 9 1.890 18.922 3.414 1.00 0.00 H new ATOM 0 HB VAL A 9 2.822 18.296 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.273 16.011 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.536 16.397 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.490 16.398 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.955 17.791 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.240 18.252 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.443 19.471 4.839 1.00 0.00 H new ATOM 98 N ASP A 10 -0.251 17.753 3.944 1.00 0.00 N ATOM 99 CA ASP A 10 -1.581 17.202 4.178 1.00 0.00 C ATOM 100 C ASP A 10 -1.616 15.711 3.855 1.00 0.00 C ATOM 101 O ASP A 10 -1.800 15.303 2.708 1.00 0.00 O ATOM 102 CB ASP A 10 -2.620 17.943 3.334 1.00 0.00 C ATOM 103 CG ASP A 10 -2.971 19.301 3.911 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.217 19.382 5.133 1.00 0.00 O ATOM 105 OD2 ASP A 10 -2.999 20.283 3.139 1.00 0.00 O ATOM 0 H ASP A 10 0.136 17.545 3.024 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.821 17.333 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.238 18.069 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.524 17.338 3.261 1.00 0.00 H new ATOM 110 N PRO A 11 -1.434 14.877 4.890 1.00 0.00 N ATOM 111 CA PRO A 11 -1.440 13.419 4.741 1.00 0.00 C ATOM 112 C PRO A 11 -2.828 12.874 4.419 1.00 0.00 C ATOM 113 O PRO A 11 -3.004 11.672 4.228 1.00 0.00 O ATOM 114 CB PRO A 11 -0.975 12.922 6.112 1.00 0.00 C ATOM 115 CG PRO A 11 -1.346 14.011 7.057 1.00 0.00 C ATOM 116 CD PRO A 11 -1.209 15.294 6.284 1.00 0.00 C ATOM 0 HA PRO A 11 -0.808 13.091 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.462 11.984 6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.099 12.738 6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.365 13.882 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.693 14.010 7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.940 16.036 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.223 15.740 6.416 1.00 0.00 H new ATOM 124 N SER A 12 -3.809 13.768 4.361 1.00 0.00 N ATOM 125 CA SER A 12 -5.183 13.376 4.067 1.00 0.00 C ATOM 126 C SER A 12 -5.520 13.638 2.601 1.00 0.00 C ATOM 127 O SER A 12 -6.674 13.531 2.189 1.00 0.00 O ATOM 128 CB SER A 12 -6.158 14.136 4.968 1.00 0.00 C ATOM 129 OG SER A 12 -6.329 15.471 4.525 1.00 0.00 O ATOM 0 H SER A 12 -3.679 14.768 4.513 1.00 0.00 H new ATOM 0 HA SER A 12 -5.279 12.308 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.122 13.627 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.787 14.135 5.993 1.00 0.00 H new ATOM 0 HG SER A 12 -6.958 15.934 5.117 1.00 0.00 H new ATOM 135 N LYS A 13 -4.502 13.981 1.819 1.00 0.00 N ATOM 136 CA LYS A 13 -4.686 14.257 0.400 1.00 0.00 C ATOM 137 C LYS A 13 -3.993 13.200 -0.454 1.00 0.00 C ATOM 138 O LYS A 13 -4.134 13.187 -1.678 1.00 0.00 O ATOM 139 CB LYS A 13 -4.142 15.645 0.054 1.00 0.00 C ATOM 140 CG LYS A 13 -4.669 16.748 0.956 1.00 0.00 C ATOM 141 CD LYS A 13 -5.963 17.335 0.420 1.00 0.00 C ATOM 142 CE LYS A 13 -7.172 16.534 0.879 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.446 17.266 0.641 1.00 0.00 N ATOM 0 H LYS A 13 -3.540 14.074 2.145 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.754 14.229 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.054 15.625 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.398 15.879 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.836 16.352 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.921 17.535 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.061 18.368 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.931 17.355 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.197 15.580 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.076 16.308 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.246 16.686 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.433 18.164 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.551 17.459 -0.376 1.00 0.00 H new ATOM 157 N VAL A 14 -3.246 12.316 0.197 1.00 0.00 N ATOM 158 CA VAL A 14 -2.534 11.253 -0.503 1.00 0.00 C ATOM 159 C VAL A 14 -3.425 10.032 -0.701 1.00 0.00 C ATOM 160 O VAL A 14 -4.023 9.525 0.248 1.00 0.00 O ATOM 161 CB VAL A 14 -1.265 10.830 0.261 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.549 10.726 1.751 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.731 9.514 -0.282 1.00 0.00 C ATOM 0 H VAL A 14 -3.117 12.314 1.209 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.248 11.652 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.501 11.594 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.641 10.426 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.881 11.694 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.328 9.983 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.166 9.230 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.488 8.739 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.487 9.629 -1.338 1.00 0.00 H new ATOM 173 N LYS A 15 -3.510 9.564 -1.942 1.00 0.00 N ATOM 174 CA LYS A 15 -4.326 8.400 -2.267 1.00 0.00 C ATOM 175 C LYS A 15 -3.493 7.327 -2.960 1.00 0.00 C ATOM 176 O LYS A 15 -2.360 7.578 -3.373 1.00 0.00 O ATOM 177 CB LYS A 15 -5.498 8.808 -3.162 1.00 0.00 C ATOM 178 CG LYS A 15 -6.417 9.840 -2.529 1.00 0.00 C ATOM 179 CD LYS A 15 -7.541 10.237 -3.471 1.00 0.00 C ATOM 180 CE LYS A 15 -7.094 11.311 -4.451 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.095 12.664 -3.829 1.00 0.00 N ATOM 0 H LYS A 15 -3.023 9.973 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.714 7.988 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.108 9.207 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.080 7.921 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.838 9.437 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.840 10.724 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.883 9.360 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.390 10.601 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.093 11.078 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.755 11.309 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.785 13.368 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.056 12.897 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.445 12.673 -3.017 1.00 0.00 H new ATOM 195 N ILE A 16 -4.061 6.133 -3.085 1.00 0.00 N ATOM 196 CA ILE A 16 -3.371 5.023 -3.732 1.00 0.00 C ATOM 197 C ILE A 16 -4.344 4.157 -4.525 1.00 0.00 C ATOM 198 O ILE A 16 -5.435 3.840 -4.053 1.00 0.00 O ATOM 199 CB ILE A 16 -2.637 4.142 -2.704 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.645 3.410 -1.815 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.694 4.985 -1.860 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.001 2.497 -0.795 1.00 0.00 C ATOM 0 H ILE A 16 -4.997 5.909 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.640 5.459 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.047 3.399 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.260 4.145 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.314 2.823 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.183 4.347 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.958 5.465 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.264 5.748 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.775 2.012 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.409 1.739 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.354 3.081 -0.141 1.00 0.00 H new ATOM 214 N ALA A 17 -3.940 3.777 -5.732 1.00 0.00 N ATOM 215 CA ALA A 17 -4.774 2.945 -6.590 1.00 0.00 C ATOM 216 C ALA A 17 -3.931 1.939 -7.366 1.00 0.00 C ATOM 217 O ALA A 17 -2.804 2.233 -7.761 1.00 0.00 O ATOM 218 CB ALA A 17 -5.579 3.812 -7.546 1.00 0.00 C ATOM 0 H ALA A 17 -3.040 4.032 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.463 2.388 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.197 3.177 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.218 4.486 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.900 4.395 -8.168 1.00 0.00 H new ATOM 224 N GLY A 18 -4.485 0.749 -7.581 1.00 0.00 N ATOM 225 CA GLY A 18 -3.770 -0.282 -8.310 1.00 0.00 C ATOM 226 C GLY A 18 -4.280 -1.675 -7.995 1.00 0.00 C ATOM 227 O GLY A 18 -5.167 -1.859 -7.161 1.00 0.00 O ATOM 0 H GLY A 18 -5.416 0.481 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.864 -0.097 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.709 -0.224 -8.068 1.00 0.00 H new ATOM 231 N PRO A 19 -3.714 -2.684 -8.673 1.00 0.00 N ATOM 232 CA PRO A 19 -4.102 -4.084 -8.479 1.00 0.00 C ATOM 233 C PRO A 19 -3.667 -4.623 -7.121 1.00 0.00 C ATOM 234 O PRO A 19 -4.402 -5.367 -6.473 1.00 0.00 O ATOM 235 CB PRO A 19 -3.367 -4.815 -9.606 1.00 0.00 C ATOM 236 CG PRO A 19 -2.196 -3.949 -9.918 1.00 0.00 C ATOM 237 CD PRO A 19 -2.652 -2.535 -9.682 1.00 0.00 C ATOM 0 HA PRO A 19 -5.184 -4.214 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.051 -5.810 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.008 -4.944 -10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.347 -4.197 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.872 -4.088 -10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.839 -1.906 -9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.028 -2.076 -10.596 1.00 0.00 H new ATOM 245 N GLY A 20 -2.466 -4.241 -6.694 1.00 0.00 N ATOM 246 CA GLY A 20 -1.955 -4.697 -5.415 1.00 0.00 C ATOM 247 C GLY A 20 -2.952 -4.505 -4.290 1.00 0.00 C ATOM 248 O GLY A 20 -2.966 -5.270 -3.325 1.00 0.00 O ATOM 0 H GLY A 20 -1.839 -3.625 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.693 -5.753 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.038 -4.156 -5.180 1.00 0.00 H new ATOM 252 N LEU A 21 -3.789 -3.479 -4.412 1.00 0.00 N ATOM 253 CA LEU A 21 -4.795 -3.188 -3.396 1.00 0.00 C ATOM 254 C LEU A 21 -6.139 -3.805 -3.767 1.00 0.00 C ATOM 255 O LEU A 21 -6.984 -4.042 -2.905 1.00 0.00 O ATOM 256 CB LEU A 21 -4.946 -1.676 -3.220 1.00 0.00 C ATOM 257 CG LEU A 21 -3.649 -0.890 -3.025 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.881 0.592 -3.273 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.092 -1.118 -1.628 1.00 0.00 C ATOM 0 H LEU A 21 -3.791 -2.836 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.463 -3.627 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.460 -1.278 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.591 -1.493 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.917 -1.248 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.947 1.135 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.233 0.739 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.629 0.965 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.169 -0.551 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.820 -0.788 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.887 -2.179 -1.487 1.00 0.00 H new ATOM 271 N GLY A 22 -6.328 -4.066 -5.057 1.00 0.00 N ATOM 272 CA GLY A 22 -7.571 -4.656 -5.520 1.00 0.00 C ATOM 273 C GLY A 22 -7.883 -5.968 -4.829 1.00 0.00 C ATOM 274 O GLY A 22 -7.013 -6.565 -4.194 1.00 0.00 O ATOM 0 H GLY A 22 -5.643 -3.880 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.388 -3.955 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.513 -4.821 -6.596 1.00 0.00 H new ATOM 278 N SER A 23 -9.128 -6.417 -4.949 1.00 0.00 N ATOM 279 CA SER A 23 -9.554 -7.665 -4.326 1.00 0.00 C ATOM 280 C SER A 23 -9.206 -8.860 -5.208 1.00 0.00 C ATOM 281 O SER A 23 -9.705 -9.965 -5.001 1.00 0.00 O ATOM 282 CB SER A 23 -11.060 -7.637 -4.056 1.00 0.00 C ATOM 283 OG SER A 23 -11.792 -7.515 -5.264 1.00 0.00 O ATOM 0 H SER A 23 -9.860 -5.935 -5.472 1.00 0.00 H new ATOM 0 HA SER A 23 -9.024 -7.769 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.357 -8.549 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.299 -6.803 -3.396 1.00 0.00 H new ATOM 0 HG SER A 23 -12.752 -7.501 -5.065 1.00 0.00 H new ATOM 289 N GLY A 24 -8.344 -8.629 -6.194 1.00 0.00 N ATOM 290 CA GLY A 24 -7.942 -9.694 -7.094 1.00 0.00 C ATOM 291 C GLY A 24 -6.466 -10.017 -6.988 1.00 0.00 C ATOM 292 O GLY A 24 -5.785 -10.185 -8.000 1.00 0.00 O ATOM 0 H GLY A 24 -7.917 -7.723 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.523 -10.590 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.175 -9.406 -8.119 1.00 0.00 H new ATOM 296 N VAL A 25 -5.966 -10.102 -5.759 1.00 0.00 N ATOM 297 CA VAL A 25 -4.559 -10.406 -5.525 1.00 0.00 C ATOM 298 C VAL A 25 -4.354 -11.895 -5.271 1.00 0.00 C ATOM 299 O VAL A 25 -5.231 -12.570 -4.732 1.00 0.00 O ATOM 300 CB VAL A 25 -4.006 -9.611 -4.327 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.601 -10.079 -3.979 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.021 -8.120 -4.626 1.00 0.00 C ATOM 0 H VAL A 25 -6.514 -9.965 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.018 -10.116 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.648 -9.792 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.226 -9.506 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.624 -11.138 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.945 -9.929 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.627 -7.573 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.403 -7.918 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.044 -7.799 -4.823 1.00 0.00 H new ATOM 312 N ARG A 26 -3.190 -12.401 -5.663 1.00 0.00 N ATOM 313 CA ARG A 26 -2.868 -13.811 -5.478 1.00 0.00 C ATOM 314 C ARG A 26 -1.569 -13.975 -4.695 1.00 0.00 C ATOM 315 O ARG A 26 -0.705 -13.098 -4.716 1.00 0.00 O ATOM 316 CB ARG A 26 -2.751 -14.511 -6.833 1.00 0.00 C ATOM 317 CG ARG A 26 -4.020 -14.443 -7.666 1.00 0.00 C ATOM 318 CD ARG A 26 -3.833 -15.103 -9.023 1.00 0.00 C ATOM 319 NE ARG A 26 -5.054 -15.065 -9.824 1.00 0.00 N ATOM 320 CZ ARG A 26 -6.045 -15.940 -9.693 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.960 -16.915 -8.799 1.00 0.00 N ATOM 322 NH2 ARG A 26 -7.125 -15.840 -10.459 1.00 0.00 N ATOM 0 H ARG A 26 -2.454 -11.856 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.676 -14.270 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.933 -14.061 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.489 -15.556 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.834 -14.933 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.310 -13.401 -7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.030 -14.601 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.524 -16.139 -8.883 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.151 -14.327 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.132 -16.995 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.723 -17.585 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.194 -15.091 -11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.886 -16.512 -10.358 1.00 0.00 H new ATOM 336 N ALA A 27 -1.438 -15.103 -4.005 1.00 0.00 N ATOM 337 CA ALA A 27 -0.244 -15.382 -3.216 1.00 0.00 C ATOM 338 C ALA A 27 0.939 -15.725 -4.114 1.00 0.00 C ATOM 339 O ALA A 27 0.764 -16.238 -5.220 1.00 0.00 O ATOM 340 CB ALA A 27 -0.512 -16.516 -2.237 1.00 0.00 C ATOM 0 H ALA A 27 -2.144 -15.839 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 27 0.009 -14.483 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.388 -16.714 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.324 -16.234 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.792 -17.414 -2.788 1.00 0.00 H new ATOM 346 N ARG A 28 2.144 -15.439 -3.632 1.00 0.00 N ATOM 347 CA ARG A 28 3.356 -15.716 -4.393 1.00 0.00 C ATOM 348 C ARG A 28 3.291 -15.070 -5.774 1.00 0.00 C ATOM 349 O ARG A 28 3.723 -15.655 -6.766 1.00 0.00 O ATOM 350 CB ARG A 28 3.562 -17.225 -4.535 1.00 0.00 C ATOM 351 CG ARG A 28 3.728 -17.944 -3.206 1.00 0.00 C ATOM 352 CD ARG A 28 4.393 -19.299 -3.384 1.00 0.00 C ATOM 353 NE ARG A 28 5.830 -19.177 -3.618 1.00 0.00 N ATOM 354 CZ ARG A 28 6.566 -20.125 -4.187 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.002 -21.259 -4.580 1.00 0.00 N ATOM 356 NH2 ARG A 28 7.868 -19.939 -4.366 1.00 0.00 N ATOM 0 H ARG A 28 2.307 -15.016 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 28 4.200 -15.290 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.710 -17.651 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.444 -17.407 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.325 -17.330 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.752 -18.075 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.221 -19.907 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.932 -19.822 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 28 6.294 -18.316 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.001 -21.404 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.569 -21.986 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.305 -19.067 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.432 -20.668 -4.803 1.00 0.00 H new ATOM 370 N VAL A 29 2.747 -13.858 -5.830 1.00 0.00 N ATOM 371 CA VAL A 29 2.625 -13.131 -7.088 1.00 0.00 C ATOM 372 C VAL A 29 3.072 -11.682 -6.931 1.00 0.00 C ATOM 373 O VAL A 29 2.861 -11.065 -5.886 1.00 0.00 O ATOM 374 CB VAL A 29 1.177 -13.157 -7.613 1.00 0.00 C ATOM 375 CG1 VAL A 29 1.003 -12.159 -8.748 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.797 -14.559 -8.062 1.00 0.00 C ATOM 0 H VAL A 29 2.384 -13.359 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 29 3.273 -13.632 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 29 0.510 -12.868 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.026 -12.191 -9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.231 -11.156 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.679 -12.414 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.229 -14.558 -8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.468 -14.880 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.880 -15.246 -7.220 1.00 0.00 H new ATOM 386 N LEU A 30 3.691 -11.145 -7.976 1.00 0.00 N ATOM 387 CA LEU A 30 4.169 -9.766 -7.956 1.00 0.00 C ATOM 388 C LEU A 30 3.002 -8.786 -7.900 1.00 0.00 C ATOM 389 O LEU A 30 2.219 -8.686 -8.843 1.00 0.00 O ATOM 390 CB LEU A 30 5.028 -9.485 -9.190 1.00 0.00 C ATOM 391 CG LEU A 30 5.771 -8.149 -9.201 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.999 -8.214 -8.307 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.163 -7.768 -10.621 1.00 0.00 C ATOM 0 H LEU A 30 3.874 -11.642 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 30 4.776 -9.631 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.761 -10.286 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.388 -9.529 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 30 5.103 -7.381 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.515 -7.254 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.694 -8.440 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.670 -8.994 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.691 -6.814 -10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.813 -8.537 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.266 -7.679 -11.234 1.00 0.00 H new ATOM 405 N GLN A 31 2.894 -8.065 -6.788 1.00 0.00 N ATOM 406 CA GLN A 31 1.824 -7.092 -6.611 1.00 0.00 C ATOM 407 C GLN A 31 2.388 -5.683 -6.460 1.00 0.00 C ATOM 408 O GLN A 31 3.292 -5.448 -5.659 1.00 0.00 O ATOM 409 CB GLN A 31 0.979 -7.449 -5.386 1.00 0.00 C ATOM 410 CG GLN A 31 0.465 -8.879 -5.398 1.00 0.00 C ATOM 411 CD GLN A 31 -0.508 -9.140 -6.532 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.946 -8.214 -7.215 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.851 -10.406 -6.739 1.00 0.00 N ATOM 0 H GLN A 31 3.534 -8.137 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 31 1.193 -7.118 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.574 -7.293 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.131 -6.767 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.309 -9.564 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.024 -9.093 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.464 -11.142 -6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.502 -10.642 -7.488 1.00 0.00 H new ATOM 422 N SER A 32 1.848 -4.749 -7.236 1.00 0.00 N ATOM 423 CA SER A 32 2.301 -3.363 -7.191 1.00 0.00 C ATOM 424 C SER A 32 1.131 -2.403 -7.386 1.00 0.00 C ATOM 425 O SER A 32 0.061 -2.796 -7.850 1.00 0.00 O ATOM 426 CB SER A 32 3.361 -3.116 -8.267 1.00 0.00 C ATOM 427 OG SER A 32 3.911 -1.816 -8.151 1.00 0.00 O ATOM 0 H SER A 32 1.097 -4.926 -7.903 1.00 0.00 H new ATOM 0 HA SER A 32 2.739 -3.181 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.154 -3.859 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.917 -3.240 -9.255 1.00 0.00 H new ATOM 0 HG SER A 32 3.983 -1.574 -7.204 1.00 0.00 H new ATOM 433 N PHE A 33 1.344 -1.141 -7.029 1.00 0.00 N ATOM 434 CA PHE A 33 0.308 -0.123 -7.161 1.00 0.00 C ATOM 435 C PHE A 33 0.924 1.267 -7.290 1.00 0.00 C ATOM 436 O PHE A 33 2.146 1.418 -7.314 1.00 0.00 O ATOM 437 CB PHE A 33 -0.637 -0.165 -5.959 1.00 0.00 C ATOM 438 CG PHE A 33 0.076 -0.164 -4.637 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.843 -1.249 -4.247 1.00 0.00 C ATOM 440 CD2 PHE A 33 -0.022 0.923 -3.783 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.501 -1.250 -3.031 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.633 0.928 -2.567 1.00 0.00 C ATOM 443 CZ PHE A 33 1.395 -0.160 -2.190 1.00 0.00 C ATOM 0 H PHE A 33 2.225 -0.798 -6.646 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.260 -0.335 -8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.306 0.694 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.259 -1.057 -6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.928 -2.105 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.618 1.776 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.097 -2.102 -2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.549 1.782 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.907 -0.158 -1.239 1.00 0.00 H new ATOM 453 N THR A 34 0.070 2.282 -7.371 1.00 0.00 N ATOM 454 CA THR A 34 0.528 3.659 -7.498 1.00 0.00 C ATOM 455 C THR A 34 0.058 4.505 -6.320 1.00 0.00 C ATOM 456 O THR A 34 -1.118 4.489 -5.961 1.00 0.00 O ATOM 457 CB THR A 34 0.028 4.299 -8.807 1.00 0.00 C ATOM 458 OG1 THR A 34 0.469 3.527 -9.929 1.00 0.00 O ATOM 459 CG2 THR A 34 0.534 5.728 -8.939 1.00 0.00 C ATOM 0 H THR A 34 -0.944 2.176 -7.351 1.00 0.00 H new ATOM 0 HA THR A 34 1.618 3.630 -7.510 1.00 0.00 H new ATOM 0 HB THR A 34 -1.062 4.317 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.146 3.939 -10.757 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.168 6.159 -9.871 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.173 6.321 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.624 5.729 -8.942 1.00 0.00 H new ATOM 467 N VAL A 35 0.986 5.248 -5.724 1.00 0.00 N ATOM 468 CA VAL A 35 0.667 6.104 -4.587 1.00 0.00 C ATOM 469 C VAL A 35 0.781 7.577 -4.960 1.00 0.00 C ATOM 470 O VAL A 35 1.882 8.112 -5.089 1.00 0.00 O ATOM 471 CB VAL A 35 1.592 5.814 -3.389 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.237 6.711 -2.213 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.511 4.348 -2.997 1.00 0.00 C ATOM 0 H VAL A 35 1.965 5.274 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.362 5.883 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 35 2.619 6.030 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.900 6.493 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.352 7.755 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.204 6.529 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.170 4.161 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.486 4.101 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.818 3.729 -3.840 1.00 0.00 H new ATOM 483 N ASP A 36 -0.364 8.228 -5.130 1.00 0.00 N ATOM 484 CA ASP A 36 -0.394 9.642 -5.487 1.00 0.00 C ATOM 485 C ASP A 36 -0.325 10.519 -4.240 1.00 0.00 C ATOM 486 O ASP A 36 -1.317 10.686 -3.531 1.00 0.00 O ATOM 487 CB ASP A 36 -1.661 9.964 -6.281 1.00 0.00 C ATOM 488 CG ASP A 36 -1.649 11.370 -6.846 1.00 0.00 C ATOM 489 OD1 ASP A 36 -2.015 12.308 -6.107 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.275 11.533 -8.026 1.00 0.00 O ATOM 0 H ASP A 36 -1.284 7.800 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 36 0.477 9.852 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.766 9.249 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.531 9.842 -5.636 1.00 0.00 H new ATOM 495 N SER A 37 0.854 11.075 -3.979 1.00 0.00 N ATOM 496 CA SER A 37 1.055 11.930 -2.815 1.00 0.00 C ATOM 497 C SER A 37 1.478 13.333 -3.239 1.00 0.00 C ATOM 498 O SER A 37 2.185 14.027 -2.507 1.00 0.00 O ATOM 499 CB SER A 37 2.109 11.325 -1.886 1.00 0.00 C ATOM 500 OG SER A 37 3.382 11.301 -2.507 1.00 0.00 O ATOM 0 H SER A 37 1.684 10.949 -4.558 1.00 0.00 H new ATOM 0 HA SER A 37 0.108 12.001 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.161 11.904 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.816 10.312 -1.610 1.00 0.00 H new ATOM 0 HG SER A 37 4.014 11.831 -1.978 1.00 0.00 H new ATOM 506 N SER A 38 1.042 13.744 -4.425 1.00 0.00 N ATOM 507 CA SER A 38 1.379 15.062 -4.949 1.00 0.00 C ATOM 508 C SER A 38 0.551 16.146 -4.266 1.00 0.00 C ATOM 509 O SER A 38 1.025 17.261 -4.045 1.00 0.00 O ATOM 510 CB SER A 38 1.151 15.107 -6.461 1.00 0.00 C ATOM 511 OG SER A 38 1.566 16.349 -7.003 1.00 0.00 O ATOM 0 H SER A 38 0.454 13.183 -5.042 1.00 0.00 H new ATOM 0 HA SER A 38 2.433 15.249 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.701 14.296 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.095 14.947 -6.678 1.00 0.00 H new ATOM 0 HG SER A 38 1.411 16.352 -7.971 1.00 0.00 H new ATOM 517 N LYS A 39 -0.691 15.811 -3.932 1.00 0.00 N ATOM 518 CA LYS A 39 -1.587 16.753 -3.272 1.00 0.00 C ATOM 519 C LYS A 39 -1.291 16.831 -1.778 1.00 0.00 C ATOM 520 O LYS A 39 -1.722 17.762 -1.098 1.00 0.00 O ATOM 521 CB LYS A 39 -3.045 16.342 -3.493 1.00 0.00 C ATOM 522 CG LYS A 39 -3.492 16.439 -4.941 1.00 0.00 C ATOM 523 CD LYS A 39 -4.987 16.683 -5.048 1.00 0.00 C ATOM 524 CE LYS A 39 -5.405 16.967 -6.484 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.470 15.723 -7.299 1.00 0.00 N ATOM 0 H LYS A 39 -1.100 14.893 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.423 17.738 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.181 15.317 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.688 16.973 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.954 17.248 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.234 15.518 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.526 15.812 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.266 17.525 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.379 17.456 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.698 17.662 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.758 15.959 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.534 15.270 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.163 15.070 -6.881 1.00 0.00 H new ATOM 539 N ALA A 40 -0.554 15.847 -1.273 1.00 0.00 N ATOM 540 CA ALA A 40 -0.197 15.807 0.140 1.00 0.00 C ATOM 541 C ALA A 40 0.962 16.751 0.441 1.00 0.00 C ATOM 542 O ALA A 40 0.991 17.400 1.485 1.00 0.00 O ATOM 543 CB ALA A 40 0.155 14.386 0.555 1.00 0.00 C ATOM 0 H ALA A 40 -0.192 15.067 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.060 16.139 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.420 14.371 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.702 13.735 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.000 14.033 -0.036 1.00 0.00 H new ATOM 549 N GLY A 41 1.917 16.821 -0.482 1.00 0.00 N ATOM 550 CA GLY A 41 3.065 17.688 -0.295 1.00 0.00 C ATOM 551 C GLY A 41 4.365 17.025 -0.704 1.00 0.00 C ATOM 552 O GLY A 41 4.413 16.297 -1.697 1.00 0.00 O ATOM 0 H GLY A 41 1.916 16.293 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.927 18.599 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.126 17.985 0.752 1.00 0.00 H new ATOM 556 N LEU A 42 5.422 17.276 0.060 1.00 0.00 N ATOM 557 CA LEU A 42 6.730 16.699 -0.230 1.00 0.00 C ATOM 558 C LEU A 42 7.159 15.741 0.878 1.00 0.00 C ATOM 559 O LEU A 42 8.340 15.422 1.012 1.00 0.00 O ATOM 560 CB LEU A 42 7.772 17.806 -0.394 1.00 0.00 C ATOM 561 CG LEU A 42 7.851 18.829 0.740 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.811 19.922 0.545 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.665 18.147 2.087 1.00 0.00 C ATOM 0 H LEU A 42 5.399 17.875 0.885 1.00 0.00 H new ATOM 0 HA LEU A 42 6.655 16.138 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.752 17.341 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.564 18.338 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 42 8.839 19.289 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.882 20.641 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.990 20.430 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.815 19.479 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.724 18.890 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.690 17.660 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.447 17.401 2.228 1.00 0.00 H new ATOM 575 N ALA A 43 6.191 15.287 1.667 1.00 0.00 N ATOM 576 CA ALA A 43 6.469 14.361 2.759 1.00 0.00 C ATOM 577 C ALA A 43 6.706 12.949 2.236 1.00 0.00 C ATOM 578 O ALA A 43 6.185 12.551 1.194 1.00 0.00 O ATOM 579 CB ALA A 43 5.323 14.370 3.761 1.00 0.00 C ATOM 0 H ALA A 43 5.209 15.545 1.571 1.00 0.00 H new ATOM 0 HA ALA A 43 7.379 14.691 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.543 13.675 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.203 15.374 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.402 14.067 3.263 1.00 0.00 H new ATOM 585 N PRO A 44 7.512 12.172 2.974 1.00 0.00 N ATOM 586 CA PRO A 44 7.837 10.791 2.604 1.00 0.00 C ATOM 587 C PRO A 44 6.641 9.855 2.746 1.00 0.00 C ATOM 588 O PRO A 44 5.631 10.211 3.355 1.00 0.00 O ATOM 589 CB PRO A 44 8.937 10.407 3.597 1.00 0.00 C ATOM 590 CG PRO A 44 8.707 11.287 4.776 1.00 0.00 C ATOM 591 CD PRO A 44 8.167 12.579 4.229 1.00 0.00 C ATOM 0 HA PRO A 44 8.139 10.710 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.873 9.354 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.928 10.566 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.001 10.832 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.633 11.453 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.461 13.043 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.962 13.303 4.051 1.00 0.00 H new ATOM 599 N LEU A 45 6.761 8.659 2.182 1.00 0.00 N ATOM 600 CA LEU A 45 5.689 7.671 2.247 1.00 0.00 C ATOM 601 C LEU A 45 6.201 6.347 2.805 1.00 0.00 C ATOM 602 O LEU A 45 7.277 5.881 2.432 1.00 0.00 O ATOM 603 CB LEU A 45 5.086 7.453 0.859 1.00 0.00 C ATOM 604 CG LEU A 45 4.084 6.305 0.735 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.672 6.796 1.018 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.163 5.673 -0.647 1.00 0.00 C ATOM 0 H LEU A 45 7.590 8.349 1.674 1.00 0.00 H new ATOM 0 HA LEU A 45 4.918 8.052 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.592 8.374 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.899 7.276 0.155 1.00 0.00 H new ATOM 0 HG LEU A 45 4.339 5.546 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.972 5.965 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.623 7.200 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.407 7.575 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.443 4.858 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.935 6.424 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.168 5.284 -0.812 1.00 0.00 H new ATOM 618 N GLU A 46 5.423 5.747 3.699 1.00 0.00 N ATOM 619 CA GLU A 46 5.797 4.476 4.308 1.00 0.00 C ATOM 620 C GLU A 46 4.734 3.413 4.047 1.00 0.00 C ATOM 621 O GLU A 46 3.543 3.714 3.979 1.00 0.00 O ATOM 622 CB GLU A 46 6.005 4.647 5.814 1.00 0.00 C ATOM 623 CG GLU A 46 7.031 3.692 6.400 1.00 0.00 C ATOM 624 CD GLU A 46 6.428 2.357 6.793 1.00 0.00 C ATOM 625 OE1 GLU A 46 5.608 2.331 7.734 1.00 0.00 O ATOM 626 OE2 GLU A 46 6.776 1.339 6.159 1.00 0.00 O ATOM 0 H GLU A 46 4.529 6.121 4.018 1.00 0.00 H new ATOM 0 HA GLU A 46 6.733 4.148 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.319 5.671 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.052 4.500 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.826 3.527 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.490 4.151 7.276 1.00 0.00 H new ATOM 633 N VAL A 47 5.174 2.167 3.900 1.00 0.00 N ATOM 634 CA VAL A 47 4.262 1.059 3.648 1.00 0.00 C ATOM 635 C VAL A 47 4.659 -0.175 4.450 1.00 0.00 C ATOM 636 O VAL A 47 5.815 -0.600 4.424 1.00 0.00 O ATOM 637 CB VAL A 47 4.223 0.694 2.152 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.315 -0.504 1.918 1.00 0.00 C ATOM 639 CG2 VAL A 47 3.770 1.887 1.324 1.00 0.00 C ATOM 0 H VAL A 47 6.157 1.900 3.951 1.00 0.00 H new ATOM 0 HA VAL A 47 3.271 1.388 3.961 1.00 0.00 H new ATOM 0 HB VAL A 47 5.230 0.423 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.300 -0.747 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.689 -1.359 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.305 -0.265 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.748 1.611 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.772 2.191 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.464 2.715 1.468 1.00 0.00 H new ATOM 649 N ARG A 48 3.695 -0.745 5.165 1.00 0.00 N ATOM 650 CA ARG A 48 3.944 -1.930 5.977 1.00 0.00 C ATOM 651 C ARG A 48 2.981 -3.055 5.608 1.00 0.00 C ATOM 652 O ARG A 48 1.799 -2.817 5.359 1.00 0.00 O ATOM 653 CB ARG A 48 3.808 -1.594 7.464 1.00 0.00 C ATOM 654 CG ARG A 48 4.702 -2.433 8.361 1.00 0.00 C ATOM 655 CD ARG A 48 4.213 -2.422 9.802 1.00 0.00 C ATOM 656 NE ARG A 48 4.685 -1.248 10.531 1.00 0.00 N ATOM 657 CZ ARG A 48 5.889 -1.163 11.084 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.738 -2.177 10.991 1.00 0.00 N ATOM 659 NH2 ARG A 48 6.247 -0.061 11.732 1.00 0.00 N ATOM 0 H ARG A 48 2.734 -0.405 5.199 1.00 0.00 H new ATOM 0 HA ARG A 48 4.962 -2.267 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.044 -0.540 7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.770 -1.734 7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.729 -3.459 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.722 -2.052 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.123 -2.443 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.555 -3.325 10.308 1.00 0.00 H new ATOM 0 HE ARG A 48 4.056 -0.450 10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.467 -3.025 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.662 -2.109 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.597 0.721 11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.172 0.003 12.156 1.00 0.00 H new ATOM 673 N VAL A 49 3.494 -4.281 5.576 1.00 0.00 N ATOM 674 CA VAL A 49 2.680 -5.442 5.239 1.00 0.00 C ATOM 675 C VAL A 49 2.655 -6.448 6.384 1.00 0.00 C ATOM 676 O VAL A 49 3.688 -7.004 6.759 1.00 0.00 O ATOM 677 CB VAL A 49 3.198 -6.141 3.968 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.406 -7.410 3.696 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.133 -5.197 2.777 1.00 0.00 C ATOM 0 H VAL A 49 4.470 -4.495 5.780 1.00 0.00 H new ATOM 0 HA VAL A 49 1.669 -5.077 5.058 1.00 0.00 H new ATOM 0 HB VAL A 49 4.240 -6.419 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.786 -7.890 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.509 -8.091 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.354 -7.160 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.503 -5.707 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.101 -4.887 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.749 -4.320 2.974 1.00 0.00 H new ATOM 689 N LEU A 50 1.469 -6.676 6.938 1.00 0.00 N ATOM 690 CA LEU A 50 1.309 -7.616 8.042 1.00 0.00 C ATOM 691 C LEU A 50 0.441 -8.799 7.627 1.00 0.00 C ATOM 692 O LEU A 50 -0.681 -8.625 7.154 1.00 0.00 O ATOM 693 CB LEU A 50 0.689 -6.913 9.251 1.00 0.00 C ATOM 694 CG LEU A 50 1.671 -6.247 10.216 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.826 -7.184 10.532 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.187 -4.939 9.633 1.00 0.00 C ATOM 0 H LEU A 50 0.605 -6.223 6.641 1.00 0.00 H new ATOM 0 HA LEU A 50 2.296 -7.990 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.005 -6.154 8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.101 -7.642 9.808 1.00 0.00 H new ATOM 0 HG LEU A 50 1.145 -6.025 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.515 -6.693 11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.441 -8.094 10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.352 -7.437 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.884 -4.479 10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.697 -5.137 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.350 -4.263 9.458 1.00 0.00 H new ATOM 708 N GLY A 51 0.967 -10.007 7.811 1.00 0.00 N ATOM 709 CA GLY A 51 0.225 -11.202 7.453 1.00 0.00 C ATOM 710 C GLY A 51 -1.019 -11.387 8.299 1.00 0.00 C ATOM 711 O GLY A 51 -1.277 -10.632 9.235 1.00 0.00 O ATOM 0 H GLY A 51 1.893 -10.179 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.059 -11.149 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.870 -12.074 7.565 1.00 0.00 H new ATOM 715 N PRO A 52 -1.816 -12.414 7.968 1.00 0.00 N ATOM 716 CA PRO A 52 -3.054 -12.720 8.691 1.00 0.00 C ATOM 717 C PRO A 52 -2.788 -13.250 10.096 1.00 0.00 C ATOM 718 O PRO A 52 -3.454 -12.857 11.055 1.00 0.00 O ATOM 719 CB PRO A 52 -3.712 -13.798 7.828 1.00 0.00 C ATOM 720 CG PRO A 52 -2.583 -14.442 7.100 1.00 0.00 C ATOM 721 CD PRO A 52 -1.571 -13.356 6.863 1.00 0.00 C ATOM 0 HA PRO A 52 -3.672 -11.834 8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.252 -14.520 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.434 -13.365 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.154 -15.255 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.921 -14.873 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.553 -13.744 6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.711 -12.881 5.892 1.00 0.00 H new ATOM 729 N ARG A 53 -1.813 -14.145 10.212 1.00 0.00 N ATOM 730 CA ARG A 53 -1.461 -14.730 11.499 1.00 0.00 C ATOM 731 C ARG A 53 -0.680 -13.735 12.353 1.00 0.00 C ATOM 732 O ARG A 53 -0.862 -13.667 13.568 1.00 0.00 O ATOM 733 CB ARG A 53 -0.635 -16.002 11.298 1.00 0.00 C ATOM 734 CG ARG A 53 -1.309 -17.029 10.402 1.00 0.00 C ATOM 735 CD ARG A 53 -0.740 -16.999 8.992 1.00 0.00 C ATOM 736 NE ARG A 53 0.538 -17.702 8.903 1.00 0.00 N ATOM 737 CZ ARG A 53 1.716 -17.094 8.953 1.00 0.00 C ATOM 738 NH1 ARG A 53 1.782 -15.776 9.091 1.00 0.00 N ATOM 739 NH2 ARG A 53 2.834 -17.802 8.865 1.00 0.00 N ATOM 0 H ARG A 53 -1.252 -14.481 9.429 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.385 -14.983 12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.330 -15.734 10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.437 -16.454 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.179 -18.024 10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.381 -16.835 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.453 -17.453 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.607 -15.964 8.676 1.00 0.00 H new ATOM 0 HE ARG A 53 0.523 -18.716 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.925 -15.227 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.690 -15.312 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.789 -18.815 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.739 -17.333 8.904 1.00 0.00 H new ATOM 753 N GLY A 54 0.191 -12.965 11.708 1.00 0.00 N ATOM 754 CA GLY A 54 0.987 -11.984 12.424 1.00 0.00 C ATOM 755 C GLY A 54 2.410 -11.906 11.910 1.00 0.00 C ATOM 756 O GLY A 54 3.342 -11.654 12.675 1.00 0.00 O ATOM 0 H GLY A 54 0.360 -13.003 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.517 -11.004 12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.000 -12.235 13.485 1.00 0.00 H new ATOM 760 N LEU A 55 2.581 -12.124 10.610 1.00 0.00 N ATOM 761 CA LEU A 55 3.902 -12.079 9.994 1.00 0.00 C ATOM 762 C LEU A 55 4.226 -10.672 9.501 1.00 0.00 C ATOM 763 O LEU A 55 3.327 -9.877 9.228 1.00 0.00 O ATOM 764 CB LEU A 55 3.979 -13.069 8.831 1.00 0.00 C ATOM 765 CG LEU A 55 5.072 -12.806 7.795 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.417 -13.309 8.298 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.719 -13.460 6.468 1.00 0.00 C ATOM 0 H LEU A 55 1.821 -12.334 9.963 1.00 0.00 H new ATOM 0 HA LEU A 55 4.637 -12.358 10.749 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.128 -14.068 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.016 -13.074 8.320 1.00 0.00 H new ATOM 0 HG LEU A 55 5.145 -11.730 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.183 -13.113 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.675 -12.793 9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.358 -14.381 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.509 -13.262 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.617 -14.536 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.778 -13.051 6.100 1.00 0.00 H new ATOM 779 N VAL A 56 5.515 -10.373 9.387 1.00 0.00 N ATOM 780 CA VAL A 56 5.958 -9.063 8.924 1.00 0.00 C ATOM 781 C VAL A 56 6.751 -9.177 7.628 1.00 0.00 C ATOM 782 O VAL A 56 7.800 -9.821 7.586 1.00 0.00 O ATOM 783 CB VAL A 56 6.825 -8.355 9.982 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.317 -7.014 9.462 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.046 -8.181 11.278 1.00 0.00 C ATOM 0 H VAL A 56 6.272 -11.020 9.609 1.00 0.00 H new ATOM 0 HA VAL A 56 5.060 -8.471 8.747 1.00 0.00 H new ATOM 0 HB VAL A 56 7.696 -8.977 10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.927 -6.530 10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.914 -7.169 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.463 -6.380 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.673 -7.679 12.015 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.156 -7.581 11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.750 -9.159 11.659 1.00 0.00 H new ATOM 795 N GLU A 57 6.244 -8.549 6.571 1.00 0.00 N ATOM 796 CA GLU A 57 6.906 -8.582 5.273 1.00 0.00 C ATOM 797 C GLU A 57 7.328 -7.181 4.842 1.00 0.00 C ATOM 798 O GLU A 57 6.636 -6.193 5.088 1.00 0.00 O ATOM 799 CB GLU A 57 5.981 -9.194 4.219 1.00 0.00 C ATOM 800 CG GLU A 57 5.562 -10.621 4.532 1.00 0.00 C ATOM 801 CD GLU A 57 6.602 -11.641 4.109 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.806 -11.380 4.316 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.213 -12.699 3.573 1.00 0.00 O ATOM 0 H GLU A 57 5.377 -8.012 6.589 1.00 0.00 H new ATOM 0 HA GLU A 57 7.799 -9.200 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.089 -8.574 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.484 -9.176 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.380 -10.716 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.620 -10.838 4.028 1.00 0.00 H new ATOM 810 N PRO A 58 8.494 -7.090 4.183 1.00 0.00 N ATOM 811 CA PRO A 58 9.035 -5.815 3.704 1.00 0.00 C ATOM 812 C PRO A 58 8.225 -5.239 2.548 1.00 0.00 C ATOM 813 O PRO A 58 7.375 -5.919 1.971 1.00 0.00 O ATOM 814 CB PRO A 58 10.446 -6.182 3.237 1.00 0.00 C ATOM 815 CG PRO A 58 10.368 -7.630 2.899 1.00 0.00 C ATOM 816 CD PRO A 58 9.371 -8.225 3.855 1.00 0.00 C ATOM 0 HA PRO A 58 9.013 -5.047 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.744 -5.589 2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.183 -5.997 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.051 -7.773 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.342 -8.108 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.815 -9.043 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.857 -8.627 4.744 1.00 0.00 H new ATOM 824 N VAL A 59 8.492 -3.981 2.213 1.00 0.00 N ATOM 825 CA VAL A 59 7.788 -3.313 1.124 1.00 0.00 C ATOM 826 C VAL A 59 8.736 -2.438 0.312 1.00 0.00 C ATOM 827 O VAL A 59 9.657 -1.832 0.857 1.00 0.00 O ATOM 828 CB VAL A 59 6.631 -2.444 1.652 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.672 -2.090 0.527 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.900 -3.160 2.780 1.00 0.00 C ATOM 0 H VAL A 59 9.191 -3.403 2.680 1.00 0.00 H new ATOM 0 HA VAL A 59 7.381 -4.096 0.484 1.00 0.00 H new ATOM 0 HB VAL A 59 7.047 -1.517 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.861 -1.476 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.206 -1.536 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.260 -3.004 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.086 -2.532 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.495 -4.102 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.595 -3.358 3.596 1.00 0.00 H new ATOM 840 N ASN A 60 8.502 -2.376 -0.995 1.00 0.00 N ATOM 841 CA ASN A 60 9.335 -1.574 -1.883 1.00 0.00 C ATOM 842 C ASN A 60 8.747 -0.179 -2.069 1.00 0.00 C ATOM 843 O ASN A 60 7.534 -0.020 -2.220 1.00 0.00 O ATOM 844 CB ASN A 60 9.480 -2.264 -3.241 1.00 0.00 C ATOM 845 CG ASN A 60 10.242 -1.417 -4.242 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.513 -0.645 -5.040 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.471 -1.456 -4.296 1.00 0.00 N flip ATOM 0 H ASN A 60 7.743 -2.871 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 60 10.320 -1.475 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.994 -3.216 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.490 -2.489 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.990 -2.064 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.970 -0.880 -4.974 1.00 0.00 H new ATOM 854 N VAL A 61 9.613 0.829 -2.058 1.00 0.00 N ATOM 855 CA VAL A 61 9.179 2.211 -2.227 1.00 0.00 C ATOM 856 C VAL A 61 10.056 2.942 -3.238 1.00 0.00 C ATOM 857 O VAL A 61 11.260 3.099 -3.033 1.00 0.00 O ATOM 858 CB VAL A 61 9.209 2.977 -0.891 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.620 3.008 -0.324 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.665 4.386 -1.072 1.00 0.00 C ATOM 0 H VAL A 61 10.619 0.715 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 61 8.154 2.178 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 61 8.570 2.455 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.621 3.553 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.966 1.989 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.285 3.504 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.694 4.912 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.275 4.921 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.636 4.336 -1.428 1.00 0.00 H new ATOM 870 N VAL A 62 9.444 3.390 -4.330 1.00 0.00 N ATOM 871 CA VAL A 62 10.168 4.106 -5.373 1.00 0.00 C ATOM 872 C VAL A 62 9.392 5.333 -5.838 1.00 0.00 C ATOM 873 O VAL A 62 8.173 5.282 -6.005 1.00 0.00 O ATOM 874 CB VAL A 62 10.449 3.199 -6.586 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.185 3.971 -7.670 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.242 1.973 -6.161 1.00 0.00 C ATOM 0 H VAL A 62 8.448 3.269 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 62 11.116 4.423 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 62 9.496 2.863 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.375 3.314 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.576 4.815 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.133 4.338 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.432 1.343 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.191 2.286 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.672 1.409 -5.422 1.00 0.00 H new ATOM 886 N ASP A 63 10.104 6.434 -6.045 1.00 0.00 N ATOM 887 CA ASP A 63 9.483 7.675 -6.493 1.00 0.00 C ATOM 888 C ASP A 63 9.448 7.746 -8.017 1.00 0.00 C ATOM 889 O ASP A 63 10.412 7.381 -8.687 1.00 0.00 O ATOM 890 CB ASP A 63 10.238 8.880 -5.931 1.00 0.00 C ATOM 891 CG ASP A 63 9.827 10.181 -6.593 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.858 10.810 -6.117 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.474 10.570 -7.587 1.00 0.00 O ATOM 0 H ASP A 63 11.113 6.493 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 63 8.458 7.694 -6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.059 8.949 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.309 8.729 -6.066 1.00 0.00 H new ATOM 898 N ASN A 64 8.329 8.218 -8.556 1.00 0.00 N ATOM 899 CA ASN A 64 8.167 8.336 -10.001 1.00 0.00 C ATOM 900 C ASN A 64 8.830 9.609 -10.521 1.00 0.00 C ATOM 901 O ASN A 64 9.551 9.583 -11.518 1.00 0.00 O ATOM 902 CB ASN A 64 6.683 8.332 -10.371 1.00 0.00 C ATOM 903 CG ASN A 64 6.032 6.983 -10.139 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.800 6.648 -8.874 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.742 6.250 -11.085 1.00 0.00 N flip ATOM 0 H ASN A 64 7.521 8.525 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 64 8.653 7.479 -10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.163 9.089 -9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.572 8.610 -11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.939 6.548 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.305 5.344 -10.913 1.00 0.00 H new ATOM 912 N GLY A 65 8.580 10.721 -9.836 1.00 0.00 N ATOM 913 CA GLY A 65 9.159 11.988 -10.243 1.00 0.00 C ATOM 914 C GLY A 65 8.109 13.002 -10.651 1.00 0.00 C ATOM 915 O GLY A 65 8.340 14.209 -10.580 1.00 0.00 O ATOM 0 H GLY A 65 7.987 10.767 -9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.751 12.393 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.841 11.821 -11.077 1.00 0.00 H new ATOM 919 N ASP A 66 6.951 12.512 -11.079 1.00 0.00 N ATOM 920 CA ASP A 66 5.861 13.383 -11.502 1.00 0.00 C ATOM 921 C ASP A 66 4.983 13.768 -10.314 1.00 0.00 C ATOM 922 O ASP A 66 4.594 14.925 -10.167 1.00 0.00 O ATOM 923 CB ASP A 66 5.016 12.696 -12.576 1.00 0.00 C ATOM 924 CG ASP A 66 5.776 12.499 -13.872 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.921 13.482 -14.629 1.00 0.00 O ATOM 926 OD2 ASP A 66 6.225 11.363 -14.131 1.00 0.00 O ATOM 0 H ASP A 66 6.743 11.515 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 66 6.295 14.291 -11.921 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.679 11.728 -12.205 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.124 13.292 -12.768 1.00 0.00 H new ATOM 931 N GLY A 67 4.674 12.787 -9.471 1.00 0.00 N ATOM 932 CA GLY A 67 3.842 13.043 -8.309 1.00 0.00 C ATOM 933 C GLY A 67 3.242 11.775 -7.737 1.00 0.00 C ATOM 934 O GLY A 67 2.121 11.785 -7.226 1.00 0.00 O ATOM 0 H GLY A 67 4.984 11.821 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.437 13.538 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.041 13.729 -8.583 1.00 0.00 H new ATOM 938 N THR A 68 3.986 10.678 -7.821 1.00 0.00 N ATOM 939 CA THR A 68 3.518 9.394 -7.310 1.00 0.00 C ATOM 940 C THR A 68 4.685 8.527 -6.852 1.00 0.00 C ATOM 941 O THR A 68 5.848 8.916 -6.977 1.00 0.00 O ATOM 942 CB THR A 68 2.710 8.628 -8.373 1.00 0.00 C ATOM 943 OG1 THR A 68 3.549 8.300 -9.486 1.00 0.00 O ATOM 944 CG2 THR A 68 1.524 9.453 -8.851 1.00 0.00 C ATOM 0 H THR A 68 4.916 10.652 -8.238 1.00 0.00 H new ATOM 0 HA THR A 68 2.872 9.608 -6.458 1.00 0.00 H new ATOM 0 HB THR A 68 2.335 7.711 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.027 7.811 -10.156 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.969 8.891 -9.602 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.871 9.675 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.882 10.386 -9.287 1.00 0.00 H new ATOM 952 N HIS A 69 4.369 7.350 -6.322 1.00 0.00 N ATOM 953 CA HIS A 69 5.393 6.426 -5.847 1.00 0.00 C ATOM 954 C HIS A 69 4.971 4.979 -6.083 1.00 0.00 C ATOM 955 O HIS A 69 3.880 4.566 -5.686 1.00 0.00 O ATOM 956 CB HIS A 69 5.665 6.654 -4.359 1.00 0.00 C ATOM 957 CG HIS A 69 5.980 8.078 -4.019 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.262 9.212 -4.200 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.160 8.466 -3.421 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.013 10.252 -3.710 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.155 9.776 -3.247 1.00 0.00 N flip ATOM 0 H HIS A 69 3.413 7.013 -6.211 1.00 0.00 H new ATOM 0 HA HIS A 69 6.307 6.616 -6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.794 6.336 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.498 6.022 -4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.964 7.802 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.718 11.291 -3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.905 10.326 -2.827 1.00 0.00 H new ATOM 970 N THR A 70 5.841 4.212 -6.732 1.00 0.00 N ATOM 971 CA THR A 70 5.558 2.812 -7.023 1.00 0.00 C ATOM 972 C THR A 70 5.961 1.916 -5.858 1.00 0.00 C ATOM 973 O THR A 70 7.062 2.038 -5.319 1.00 0.00 O ATOM 974 CB THR A 70 6.291 2.342 -8.294 1.00 0.00 C ATOM 975 OG1 THR A 70 5.786 3.041 -9.437 1.00 0.00 O ATOM 976 CG2 THR A 70 6.122 0.845 -8.493 1.00 0.00 C ATOM 0 H THR A 70 6.748 4.537 -7.066 1.00 0.00 H new ATOM 0 HA THR A 70 4.483 2.734 -7.183 1.00 0.00 H new ATOM 0 HB THR A 70 7.353 2.559 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.258 2.738 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.648 0.536 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.534 0.315 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.063 0.608 -8.591 1.00 0.00 H new ATOM 984 N VAL A 71 5.064 1.014 -5.472 1.00 0.00 N ATOM 985 CA VAL A 71 5.327 0.096 -4.370 1.00 0.00 C ATOM 986 C VAL A 71 5.126 -1.353 -4.803 1.00 0.00 C ATOM 987 O VAL A 71 4.003 -1.786 -5.062 1.00 0.00 O ATOM 988 CB VAL A 71 4.416 0.390 -3.164 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.728 -0.557 -2.016 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.566 1.839 -2.726 1.00 0.00 C ATOM 0 H VAL A 71 4.148 0.899 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 71 6.366 0.245 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 71 3.381 0.229 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.074 -0.334 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.566 -1.586 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.767 -0.431 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.915 2.030 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.601 2.028 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.289 2.498 -3.549 1.00 0.00 H new ATOM 1000 N THR A 72 6.224 -2.098 -4.879 1.00 0.00 N ATOM 1001 CA THR A 72 6.170 -3.499 -5.281 1.00 0.00 C ATOM 1002 C THR A 72 6.290 -4.422 -4.073 1.00 0.00 C ATOM 1003 O THR A 72 6.976 -4.103 -3.102 1.00 0.00 O ATOM 1004 CB THR A 72 7.286 -3.839 -6.286 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.565 -3.520 -5.725 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.094 -3.074 -7.587 1.00 0.00 C ATOM 0 H THR A 72 7.161 -1.755 -4.668 1.00 0.00 H new ATOM 0 HA THR A 72 5.203 -3.654 -5.759 1.00 0.00 H new ATOM 0 HB THR A 72 7.239 -4.907 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.269 -3.741 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.894 -3.330 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.133 -3.340 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.117 -2.003 -7.386 1.00 0.00 H new ATOM 1014 N TYR A 73 5.621 -5.567 -4.142 1.00 0.00 N ATOM 1015 CA TYR A 73 5.652 -6.536 -3.053 1.00 0.00 C ATOM 1016 C TYR A 73 5.117 -7.889 -3.513 1.00 0.00 C ATOM 1017 O TYR A 73 4.621 -8.028 -4.632 1.00 0.00 O ATOM 1018 CB TYR A 73 4.831 -6.029 -1.866 1.00 0.00 C ATOM 1019 CG TYR A 73 3.355 -6.343 -1.972 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.488 -5.485 -2.636 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.829 -7.498 -1.408 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.139 -5.768 -2.734 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.482 -7.790 -1.502 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.642 -6.922 -2.166 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.701 -7.208 -2.262 1.00 0.00 O ATOM 0 H TYR A 73 5.051 -5.847 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 73 6.689 -6.661 -2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.223 -6.470 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.959 -4.950 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.875 -4.581 -3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.485 -8.180 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.478 -5.089 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.090 -8.693 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.172 -6.442 -2.652 1.00 0.00 H new ATOM 1035 N THR A 74 5.223 -8.887 -2.641 1.00 0.00 N ATOM 1036 CA THR A 74 4.753 -10.231 -2.956 1.00 0.00 C ATOM 1037 C THR A 74 4.284 -10.957 -1.701 1.00 0.00 C ATOM 1038 O THR A 74 5.069 -11.266 -0.803 1.00 0.00 O ATOM 1039 CB THR A 74 5.852 -11.066 -3.638 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.288 -10.416 -4.838 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.346 -12.462 -3.967 1.00 0.00 C ATOM 0 H THR A 74 5.630 -8.790 -1.711 1.00 0.00 H new ATOM 0 HA THR A 74 3.914 -10.119 -3.643 1.00 0.00 H new ATOM 0 HB THR A 74 6.691 -11.154 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.988 -10.953 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.140 -13.033 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.043 -12.965 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.492 -12.390 -4.640 1.00 0.00 H new ATOM 1049 N PRO A 75 2.974 -11.240 -1.633 1.00 0.00 N ATOM 1050 CA PRO A 75 2.372 -11.935 -0.491 1.00 0.00 C ATOM 1051 C PRO A 75 2.792 -13.399 -0.418 1.00 0.00 C ATOM 1052 O PRO A 75 2.170 -14.264 -1.035 1.00 0.00 O ATOM 1053 CB PRO A 75 0.869 -11.822 -0.760 1.00 0.00 C ATOM 1054 CG PRO A 75 0.760 -11.667 -2.237 1.00 0.00 C ATOM 1055 CD PRO A 75 1.981 -10.902 -2.666 1.00 0.00 C ATOM 0 HA PRO A 75 2.682 -11.502 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.337 -12.708 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.437 -10.968 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.716 -12.639 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.150 -11.132 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.316 -11.203 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.790 -9.829 -2.705 1.00 0.00 H new ATOM 1063 N SER A 76 3.848 -13.671 0.341 1.00 0.00 N ATOM 1064 CA SER A 76 4.352 -15.030 0.492 1.00 0.00 C ATOM 1065 C SER A 76 3.209 -16.040 0.465 1.00 0.00 C ATOM 1066 O SER A 76 3.290 -17.066 -0.209 1.00 0.00 O ATOM 1067 CB SER A 76 5.135 -15.164 1.801 1.00 0.00 C ATOM 1068 OG SER A 76 6.473 -14.726 1.642 1.00 0.00 O ATOM 0 H SER A 76 4.372 -12.967 0.861 1.00 0.00 H new ATOM 0 HA SER A 76 5.018 -15.239 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.648 -14.579 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.126 -16.203 2.129 1.00 0.00 H new ATOM 0 HG SER A 76 6.654 -13.994 2.268 1.00 0.00 H new ATOM 1074 N GLN A 77 2.145 -15.738 1.202 1.00 0.00 N ATOM 1075 CA GLN A 77 0.984 -16.620 1.263 1.00 0.00 C ATOM 1076 C GLN A 77 -0.311 -15.824 1.137 1.00 0.00 C ATOM 1077 O GLN A 77 -0.300 -14.594 1.175 1.00 0.00 O ATOM 1078 CB GLN A 77 0.986 -17.411 2.571 1.00 0.00 C ATOM 1079 CG GLN A 77 1.176 -16.544 3.806 1.00 0.00 C ATOM 1080 CD GLN A 77 1.820 -17.296 4.953 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.093 -17.431 6.056 1.00 0.00 O flip ATOM 1082 NE2 GLN A 77 2.959 -17.751 4.851 1.00 0.00 N flip ATOM 0 H GLN A 77 2.062 -14.891 1.764 1.00 0.00 H new ATOM 0 HA GLN A 77 1.044 -17.316 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.045 -17.953 2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.781 -18.156 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.793 -15.683 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.208 -16.159 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.483 -17.625 3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.379 -18.254 5.632 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.425 -16.535 0.988 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.727 -15.893 0.856 1.00 0.00 C ATOM 1093 C GLU A 78 -3.335 -15.609 2.226 1.00 0.00 C ATOM 1094 O GLU A 78 -2.758 -15.954 3.257 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.674 -16.775 0.039 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.004 -18.098 0.709 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.089 -17.966 1.759 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.201 -17.515 1.411 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -4.828 -18.314 2.929 1.00 0.00 O ATOM 0 H GLU A 78 -1.451 -17.554 0.956 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.585 -14.945 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.600 -16.229 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.224 -16.972 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.322 -18.815 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.103 -18.501 1.172 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.506 -14.978 2.229 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.173 -14.658 3.477 1.00 0.00 C ATOM 1108 C GLY A 79 -5.441 -13.174 3.628 1.00 0.00 C ATOM 1109 O GLY A 79 -5.014 -12.358 2.809 1.00 0.00 O ATOM 0 H GLY A 79 -5.004 -14.683 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.116 -15.202 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.560 -15.000 4.311 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.165 -12.804 4.694 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.507 -11.406 4.972 1.00 0.00 C ATOM 1115 C PRO A 80 -5.292 -10.584 5.391 1.00 0.00 C ATOM 1116 O PRO A 80 -5.041 -10.392 6.580 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.506 -11.508 6.127 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.179 -12.798 6.797 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.706 -13.722 5.710 1.00 0.00 C ATOM 0 HA PRO A 80 -6.903 -10.901 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.404 -10.668 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.534 -11.500 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.407 -12.660 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.053 -13.207 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.945 -14.413 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.522 -14.326 5.312 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.542 -10.103 4.405 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.352 -9.303 4.671 1.00 0.00 C ATOM 1129 C TYR A 81 -3.728 -7.868 5.028 1.00 0.00 C ATOM 1130 O TYR A 81 -4.892 -7.478 4.932 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.424 -9.311 3.456 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.396 -10.419 3.486 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.783 -11.749 3.601 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.038 -10.138 3.401 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.847 -12.765 3.631 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.904 -11.146 3.428 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.495 -12.459 3.543 1.00 0.00 C ATOM 1138 OH TYR A 81 1.431 -13.468 3.572 1.00 0.00 O ATOM 0 H TYR A 81 -4.737 -10.253 3.415 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.831 -9.745 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.024 -9.408 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.910 -8.352 3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.833 -11.992 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.286 -9.112 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.165 -13.793 3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.955 -10.909 3.360 1.00 0.00 H new ATOM 0 HH TYR A 81 2.329 -13.083 3.499 1.00 0.00 H new ATOM 1148 N MET A 82 -2.734 -7.088 5.440 1.00 0.00 N ATOM 1149 CA MET A 82 -2.960 -5.695 5.810 1.00 0.00 C ATOM 1150 C MET A 82 -1.781 -4.824 5.389 1.00 0.00 C ATOM 1151 O MET A 82 -0.666 -4.987 5.886 1.00 0.00 O ATOM 1152 CB MET A 82 -3.184 -5.576 7.318 1.00 0.00 C ATOM 1153 CG MET A 82 -3.659 -4.200 7.756 1.00 0.00 C ATOM 1154 SD MET A 82 -4.683 -4.256 9.238 1.00 0.00 S ATOM 1155 CE MET A 82 -3.498 -3.762 10.488 1.00 0.00 C ATOM 0 H MET A 82 -1.765 -7.396 5.526 1.00 0.00 H new ATOM 0 HA MET A 82 -3.852 -5.346 5.289 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.918 -6.320 7.628 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.254 -5.812 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.794 -3.564 7.941 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.225 -3.741 6.946 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.983 -3.749 11.464 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.669 -4.470 10.504 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.120 -2.766 10.257 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.034 -3.898 4.470 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.994 -3.000 3.982 1.00 0.00 C ATOM 1167 C VAL A 83 -1.148 -1.604 4.579 1.00 0.00 C ATOM 1168 O VAL A 83 -1.910 -0.782 4.069 1.00 0.00 O ATOM 1169 CB VAL A 83 -1.017 -2.895 2.446 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.009 -1.881 1.965 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.768 -4.258 1.816 1.00 0.00 C ATOM 0 H VAL A 83 -2.951 -3.750 4.048 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.039 -3.423 4.295 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.004 -2.552 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.022 -1.820 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.219 -0.903 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.004 -2.191 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.788 -4.166 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.206 -4.632 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.544 -4.954 2.135 1.00 0.00 H new ATOM 1181 N SER A 84 -0.421 -1.346 5.660 1.00 0.00 N ATOM 1182 CA SER A 84 -0.479 -0.050 6.327 1.00 0.00 C ATOM 1183 C SER A 84 0.325 0.994 5.560 1.00 0.00 C ATOM 1184 O SER A 84 1.341 0.679 4.940 1.00 0.00 O ATOM 1185 CB SER A 84 0.048 -0.167 7.759 1.00 0.00 C ATOM 1186 OG SER A 84 -0.072 1.066 8.449 1.00 0.00 O ATOM 0 H SER A 84 0.215 -2.016 6.093 1.00 0.00 H new ATOM 0 HA SER A 84 -1.521 0.270 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.505 -0.941 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.093 -0.477 7.741 1.00 0.00 H new ATOM 0 HG SER A 84 0.270 0.965 9.362 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.136 2.240 5.607 1.00 0.00 N ATOM 1193 CA VAL A 85 0.541 3.331 4.917 1.00 0.00 C ATOM 1194 C VAL A 85 0.547 4.598 5.767 1.00 0.00 C ATOM 1195 O VAL A 85 -0.457 4.948 6.388 1.00 0.00 O ATOM 1196 CB VAL A 85 -0.125 3.639 3.563 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.631 4.737 2.832 1.00 0.00 C ATOM 1198 CG2 VAL A 85 -0.208 2.381 2.712 1.00 0.00 C ATOM 0 H VAL A 85 -0.975 2.519 6.116 1.00 0.00 H new ATOM 0 HA VAL A 85 1.567 3.007 4.743 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.139 3.992 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.145 4.940 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.633 5.643 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.658 4.416 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.681 2.617 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.796 1.996 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.798 1.627 3.233 1.00 0.00 H new ATOM 1208 N LYS A 86 1.686 5.283 5.790 1.00 0.00 N ATOM 1209 CA LYS A 86 1.825 6.512 6.561 1.00 0.00 C ATOM 1210 C LYS A 86 2.383 7.637 5.696 1.00 0.00 C ATOM 1211 O LYS A 86 2.836 7.405 4.575 1.00 0.00 O ATOM 1212 CB LYS A 86 2.737 6.280 7.768 1.00 0.00 C ATOM 1213 CG LYS A 86 2.386 7.140 8.970 1.00 0.00 C ATOM 1214 CD LYS A 86 3.203 6.752 10.191 1.00 0.00 C ATOM 1215 CE LYS A 86 2.677 7.423 11.449 1.00 0.00 C ATOM 1216 NZ LYS A 86 1.590 6.630 12.088 1.00 0.00 N ATOM 0 H LYS A 86 2.527 5.007 5.283 1.00 0.00 H new ATOM 0 HA LYS A 86 0.836 6.805 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.685 5.230 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.768 6.480 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.562 8.189 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.324 7.038 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.179 5.670 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.245 7.032 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.494 7.556 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.304 8.417 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.714 6.640 13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.668 7.047 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.628 5.649 11.744 1.00 0.00 H new ATOM 1230 N TYR A 87 2.349 8.856 6.224 1.00 0.00 N ATOM 1231 CA TYR A 87 2.852 10.017 5.499 1.00 0.00 C ATOM 1232 C TYR A 87 3.273 11.121 6.464 1.00 0.00 C ATOM 1233 O TYR A 87 2.437 11.738 7.123 1.00 0.00 O ATOM 1234 CB TYR A 87 1.786 10.544 4.538 1.00 0.00 C ATOM 1235 CG TYR A 87 2.357 11.232 3.318 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.922 10.497 2.283 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.333 12.616 3.202 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.446 11.121 1.168 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.853 13.248 2.089 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.408 12.497 1.075 1.00 0.00 C ATOM 1241 OH TYR A 87 3.930 13.123 -0.034 1.00 0.00 O ATOM 0 H TYR A 87 1.979 9.065 7.151 1.00 0.00 H new ATOM 0 HA TYR A 87 3.726 9.706 4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.157 9.714 4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.142 11.243 5.071 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.952 9.420 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.901 13.208 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.883 10.535 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.825 14.325 2.014 1.00 0.00 H new ATOM 0 HH TYR A 87 4.909 13.119 0.018 1.00 0.00 H new ATOM 1251 N ALA A 88 4.577 11.363 6.542 1.00 0.00 N ATOM 1252 CA ALA A 88 5.111 12.395 7.424 1.00 0.00 C ATOM 1253 C ALA A 88 4.766 12.103 8.880 1.00 0.00 C ATOM 1254 O ALA A 88 4.441 13.012 9.644 1.00 0.00 O ATOM 1255 CB ALA A 88 4.583 13.762 7.017 1.00 0.00 C ATOM 0 H ALA A 88 5.283 10.859 6.006 1.00 0.00 H new ATOM 0 HA ALA A 88 6.197 12.395 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.990 14.522 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.885 13.979 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.495 13.766 7.083 1.00 0.00 H new ATOM 1261 N ASP A 89 4.841 10.831 9.258 1.00 0.00 N ATOM 1262 CA ASP A 89 4.536 10.421 10.623 1.00 0.00 C ATOM 1263 C ASP A 89 3.056 10.620 10.935 1.00 0.00 C ATOM 1264 O ASP A 89 2.685 10.920 12.068 1.00 0.00 O ATOM 1265 CB ASP A 89 5.389 11.210 11.618 1.00 0.00 C ATOM 1266 CG ASP A 89 6.869 11.143 11.293 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.345 10.049 10.925 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.551 12.183 11.409 1.00 0.00 O ATOM 0 H ASP A 89 5.110 10.067 8.638 1.00 0.00 H new ATOM 0 HA ASP A 89 4.768 9.360 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.068 12.252 11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.223 10.822 12.623 1.00 0.00 H new ATOM 1273 N GLU A 90 2.216 10.452 9.918 1.00 0.00 N ATOM 1274 CA GLU A 90 0.776 10.616 10.084 1.00 0.00 C ATOM 1275 C GLU A 90 0.013 9.590 9.250 1.00 0.00 C ATOM 1276 O GLU A 90 -0.079 9.713 8.028 1.00 0.00 O ATOM 1277 CB GLU A 90 0.352 12.030 9.685 1.00 0.00 C ATOM 1278 CG GLU A 90 0.926 13.113 10.583 1.00 0.00 C ATOM 1279 CD GLU A 90 0.038 14.341 10.658 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.141 14.199 11.040 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.525 15.445 10.333 1.00 0.00 O ATOM 0 H GLU A 90 2.507 10.203 8.973 1.00 0.00 H new ATOM 0 HA GLU A 90 0.536 10.456 11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.665 12.218 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.736 12.093 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.068 12.710 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.910 13.403 10.213 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.533 8.579 9.919 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.286 7.532 9.240 1.00 0.00 C ATOM 1290 C GLU A 91 -2.395 8.131 8.380 1.00 0.00 C ATOM 1291 O GLU A 91 -3.316 8.769 8.892 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.884 6.561 10.260 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.008 5.349 10.533 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.227 4.771 11.917 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.663 5.524 12.813 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.963 3.565 12.104 1.00 0.00 O ATOM 0 H GLU A 91 -0.468 8.463 10.930 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.600 6.988 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.057 7.092 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.856 6.223 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.213 4.582 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.039 5.630 10.422 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.301 7.920 7.072 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.296 8.438 6.141 1.00 0.00 C ATOM 1305 C ILE A 92 -4.696 7.960 6.510 1.00 0.00 C ATOM 1306 O ILE A 92 -4.878 6.905 7.119 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.986 8.015 4.693 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.011 6.490 4.567 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.636 8.566 4.257 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.988 6.001 3.137 1.00 0.00 C ATOM 0 H ILE A 92 -1.546 7.394 6.633 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.256 9.525 6.210 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.753 8.427 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.154 6.076 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.906 6.108 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.431 8.258 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.652 9.654 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.856 8.180 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.008 4.911 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.859 6.386 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.080 6.353 2.647 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.711 8.752 6.133 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.112 8.428 6.412 1.00 0.00 C ATOM 1324 C PRO A 93 -7.608 7.240 5.595 1.00 0.00 C ATOM 1325 O PRO A 93 -8.786 6.889 5.644 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.858 9.703 6.008 1.00 0.00 C ATOM 1327 CG PRO A 93 -6.977 10.352 4.997 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.567 10.023 5.405 1.00 0.00 C ATOM 0 HA PRO A 93 -7.263 8.140 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.838 9.473 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.023 10.354 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.191 9.978 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.136 11.430 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.912 9.919 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.139 10.802 6.036 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.699 6.625 4.844 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.044 5.475 4.016 1.00 0.00 C ATOM 1338 C ARG A 94 -6.284 4.232 4.467 1.00 0.00 C ATOM 1339 O ARG A 94 -6.374 3.176 3.841 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.737 5.770 2.546 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.523 6.941 1.981 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.962 6.554 1.683 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.694 7.631 1.021 1.00 0.00 N ATOM 1344 CZ ARG A 94 -11.016 7.652 0.894 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -11.748 6.660 1.382 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.608 8.668 0.278 1.00 0.00 N ATOM 0 H ARG A 94 -5.719 6.904 4.792 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.112 5.285 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.672 5.974 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.951 4.880 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.507 7.768 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.044 7.296 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.975 5.666 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.466 6.291 2.613 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.160 8.410 0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.296 5.878 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.763 6.679 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.048 9.433 -0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.623 8.684 0.181 1.00 0.00 H new ATOM 1360 N SER A 95 -5.534 4.366 5.557 1.00 0.00 N ATOM 1361 CA SER A 95 -4.756 3.254 6.089 1.00 0.00 C ATOM 1362 C SER A 95 -5.221 2.889 7.496 1.00 0.00 C ATOM 1363 O SER A 95 -5.765 3.713 8.231 1.00 0.00 O ATOM 1364 CB SER A 95 -3.268 3.610 6.110 1.00 0.00 C ATOM 1365 OG SER A 95 -2.609 2.990 7.200 1.00 0.00 O ATOM 0 H SER A 95 -5.449 5.233 6.088 1.00 0.00 H new ATOM 0 HA SER A 95 -4.909 2.392 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.803 3.297 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.151 4.692 6.178 1.00 0.00 H new ATOM 0 HG SER A 95 -1.975 3.621 7.600 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.005 1.622 7.878 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.360 0.631 7.011 1.00 0.00 C ATOM 1373 C PRO A 96 -5.244 0.228 5.835 1.00 0.00 C ATOM 1374 O PRO A 96 -6.354 0.735 5.678 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.133 -0.562 7.942 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.172 -0.421 9.000 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.374 1.057 9.188 1.00 0.00 C ATOM 0 HA PRO A 96 -3.446 1.017 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.238 -1.506 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.130 -0.546 8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.101 -0.907 8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.850 -0.892 9.929 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.406 1.291 9.450 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.745 1.450 9.987 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.743 -0.687 5.011 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.487 -1.158 3.848 1.00 0.00 C ATOM 1387 C PHE A 97 -5.763 -2.655 3.949 1.00 0.00 C ATOM 1388 O PHE A 97 -4.846 -3.457 4.122 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.711 -0.856 2.565 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.665 0.606 2.220 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.727 1.440 2.807 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.560 1.145 1.310 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.685 2.785 2.494 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.521 2.490 0.992 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.582 3.310 1.583 1.00 0.00 C ATOM 0 H PHE A 97 -3.825 -1.117 5.127 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.441 -0.632 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.692 -1.228 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.166 -1.402 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.021 1.034 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.296 0.507 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.952 3.426 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.225 2.898 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.548 4.360 1.334 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.035 -3.024 3.841 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.435 -4.423 3.919 1.00 0.00 C ATOM 1407 C LYS A 98 -7.276 -5.111 2.566 1.00 0.00 C ATOM 1408 O LYS A 98 -8.023 -4.836 1.628 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.885 -4.535 4.392 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.884 -3.878 3.455 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.133 -3.430 4.195 1.00 0.00 C ATOM 1412 CE LYS A 98 -12.125 -2.757 3.259 1.00 0.00 C ATOM 1413 NZ LYS A 98 -13.195 -2.040 4.006 1.00 0.00 N ATOM 0 H LYS A 98 -7.807 -2.372 3.699 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.785 -4.921 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.142 -5.589 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.972 -4.081 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.419 -3.019 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.159 -4.578 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.605 -4.291 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.857 -2.739 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.597 -2.053 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.576 -3.506 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.850 -1.595 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.716 -2.716 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.767 -1.308 4.608 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.299 -6.008 2.475 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.045 -6.737 1.237 1.00 0.00 C ATOM 1429 C VAL A 99 -6.109 -8.243 1.464 1.00 0.00 C ATOM 1430 O VAL A 99 -5.168 -8.844 1.982 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.669 -6.376 0.646 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.379 -7.219 -0.585 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.605 -4.892 0.314 1.00 0.00 C ATOM 0 H VAL A 99 -5.671 -6.247 3.242 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.823 -6.445 0.532 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.904 -6.591 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.403 -6.950 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.380 -8.274 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.146 -7.038 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.626 -4.654 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.378 -4.648 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.765 -4.309 1.221 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.225 -8.847 1.073 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.413 -10.284 1.230 1.00 0.00 C ATOM 1445 C LYS A 100 -6.788 -11.047 0.067 1.00 0.00 C ATOM 1446 O LYS A 100 -7.416 -11.234 -0.975 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.905 -10.616 1.327 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.190 -12.103 1.447 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.619 -12.431 1.048 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.125 -13.676 1.761 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.670 -13.359 3.110 1.00 0.00 N ATOM 0 H LYS A 100 -8.014 -8.363 0.644 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.916 -10.590 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.328 -10.103 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.413 -10.227 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.498 -12.659 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.014 -12.426 2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.267 -11.587 1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.671 -12.581 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.900 -14.150 1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.312 -14.395 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.005 -14.233 3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.924 -12.930 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.463 -12.692 3.016 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.546 -11.483 0.251 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.836 -12.227 -0.783 1.00 0.00 C ATOM 1467 C VAL A 101 -5.529 -13.552 -1.081 1.00 0.00 C ATOM 1468 O VAL A 101 -6.099 -14.182 -0.189 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.377 -12.505 -0.372 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.654 -13.283 -1.462 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.653 -11.202 -0.068 1.00 0.00 C ATOM 0 H VAL A 101 -5.011 -11.334 1.106 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.842 -11.607 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.382 -13.113 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.625 -13.470 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.161 -14.233 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.657 -12.704 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.624 -11.416 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.657 -10.568 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.159 -10.687 0.748 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.476 -13.971 -2.341 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.099 -15.222 -2.758 1.00 0.00 C ATOM 1483 C LEU A 102 -5.043 -16.257 -3.134 1.00 0.00 C ATOM 1484 O LEU A 102 -3.915 -15.924 -3.495 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.035 -14.979 -3.942 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.361 -14.288 -3.620 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.097 -13.919 -4.899 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.227 -15.182 -2.743 1.00 0.00 C ATOM 0 H LEU A 102 -5.008 -13.463 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.678 -15.608 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.505 -14.378 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.253 -15.939 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.147 -13.370 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.038 -13.429 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.481 -13.242 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.300 -14.822 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.167 -14.676 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.432 -16.116 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.703 -15.395 -1.811 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.417 -17.542 -3.049 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.518 -18.652 -3.379 1.00 0.00 C ATOM 1502 C PRO A 103 -4.223 -18.734 -4.872 1.00 0.00 C ATOM 1503 O PRO A 103 -5.136 -18.856 -5.691 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.296 -19.887 -2.919 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.726 -19.475 -2.968 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.747 -18.011 -2.625 1.00 0.00 C ATOM 0 HA PRO A 103 -3.544 -18.543 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.107 -20.739 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.005 -20.186 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.149 -19.650 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.322 -20.050 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.545 -17.486 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.909 -17.850 -1.559 1.00 0.00 H new ATOM 1514 N THR A 104 -2.942 -18.668 -5.222 1.00 0.00 N ATOM 1515 CA THR A 104 -2.527 -18.734 -6.618 1.00 0.00 C ATOM 1516 C THR A 104 -3.440 -19.654 -7.420 1.00 0.00 C ATOM 1517 O THR A 104 -3.716 -19.402 -8.594 1.00 0.00 O ATOM 1518 CB THR A 104 -1.074 -19.229 -6.749 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.187 -18.328 -6.077 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.673 -19.348 -8.212 1.00 0.00 C ATOM 0 H THR A 104 -2.174 -18.569 -4.558 1.00 0.00 H new ATOM 0 HA THR A 104 -2.595 -17.722 -7.017 1.00 0.00 H new ATOM 0 HB THR A 104 -1.006 -20.215 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.423 -17.405 -6.306 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.357 -19.699 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.332 -20.057 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.756 -18.373 -8.693 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.906 -20.721 -6.781 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.786 -21.681 -7.436 1.00 0.00 C ATOM 1530 C TYR A 105 -6.218 -21.156 -7.490 1.00 0.00 C ATOM 1531 O TYR A 105 -6.695 -20.523 -6.549 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.751 -23.022 -6.702 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.533 -23.857 -7.026 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.251 -23.344 -6.867 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.664 -25.159 -7.492 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.136 -24.102 -7.164 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.553 -25.926 -7.789 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.292 -25.394 -7.624 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.183 -26.154 -7.920 1.00 0.00 O ATOM 0 H TYR A 105 -3.689 -20.943 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.430 -21.824 -8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.781 -22.840 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.647 -23.589 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.125 -22.334 -6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.650 -25.579 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.147 -23.686 -7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.672 -26.937 -8.149 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.466 -27.039 -8.230 1.00 0.00 H new