USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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 39 SER OG : rot 120:sc= -0.0119 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 135:sc= -0.143 (180deg=-1.37) USER MOD Set 2.1: A 76 THR OG1 : rot -87:sc= 0.417 USER MOD Set 2.2: A 86 GLN : amide:sc= 0.429 K(o=0.85,f=-0.59) USER MOD Set 3.1: A 45 THR OG1 : rot 27:sc= 0.545 USER MOD Set 3.2: A 74 THR OG1 : rot -150:sc= -0.0472 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.259 (180deg=-0.117) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 60:sc= -0.124 USER MOD Single : A 25 THR OG1 : rot 37:sc= 0.23 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 0.163 (180deg=-0.597!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 52 GLN : amide:sc= -0.0473 K(o=-0.047,f=-0.86) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00749 K(o=-0.0075,f=-0.75) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.695 USER MOD Single : A 82 ASN : amide:sc= -0.0017 X(o=-0.0017,f=-0.29) USER MOD Single : A 84 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 85 SER OG : rot -29:sc= 0.217 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0649 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.641 3.735 2.611 1.00 0.00 N ATOM 106 CA ALA A 11 4.315 3.435 2.084 1.00 0.00 C ATOM 107 C ALA A 11 3.676 4.675 1.468 1.00 0.00 C ATOM 108 O ALA A 11 2.971 4.588 0.464 1.00 0.00 O ATOM 109 CB ALA A 11 3.426 2.871 3.183 1.00 0.00 C ATOM 0 HA ALA A 11 4.423 2.686 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.439 2.651 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.869 1.955 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.333 3.602 3.986 1.00 0.00 H new ATOM 115 N GLY A 12 3.927 5.830 2.078 1.00 0.00 N ATOM 116 CA GLY A 12 3.367 7.071 1.575 1.00 0.00 C ATOM 117 C GLY A 12 2.317 7.651 2.502 1.00 0.00 C ATOM 118 O GLY A 12 2.080 7.146 3.600 1.00 0.00 O ATOM 0 H GLY A 12 4.508 5.928 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.168 7.798 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.924 6.895 0.595 1.00 0.00 H new ATOM 122 N PRO A 13 1.668 8.738 2.060 1.00 0.00 N ATOM 123 CA PRO A 13 0.628 9.412 2.843 1.00 0.00 C ATOM 124 C PRO A 13 -0.644 8.578 2.957 1.00 0.00 C ATOM 125 O PRO A 13 -0.804 7.575 2.260 1.00 0.00 O ATOM 126 CB PRO A 13 0.358 10.692 2.048 1.00 0.00 C ATOM 127 CG PRO A 13 0.752 10.360 0.651 1.00 0.00 C ATOM 128 CD PRO A 13 1.898 9.393 0.762 1.00 0.00 C ATOM 0 HA PRO A 13 0.944 9.591 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.692 10.980 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.940 11.529 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.081 9.917 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.049 11.256 0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.897 8.673 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.860 9.905 0.735 1.00 0.00 H new ATOM 136 N ASP A 14 -1.545 8.999 3.837 1.00 0.00 N ATOM 137 CA ASP A 14 -2.804 8.291 4.040 1.00 0.00 C ATOM 138 C ASP A 14 -3.561 8.140 2.725 1.00 0.00 C ATOM 139 O ASP A 14 -3.214 8.763 1.721 1.00 0.00 O ATOM 140 CB ASP A 14 -3.671 9.031 5.060 1.00 0.00 C ATOM 141 CG ASP A 14 -4.171 10.363 4.537 1.00 0.00 C ATOM 142 OD1 ASP A 14 -4.568 10.425 3.354 1.00 0.00 O ATOM 143 OD2 ASP A 14 -4.166 11.344 5.310 1.00 0.00 O ATOM 0 H ASP A 14 -1.428 9.827 4.421 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.575 7.296 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.523 8.407 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.095 9.195 5.971 1.00 0.00 H new ATOM 148 N LYS A 15 -4.598 7.309 2.737 1.00 0.00 N ATOM 149 CA LYS A 15 -5.406 7.076 1.545 1.00 0.00 C ATOM 150 C LYS A 15 -6.888 7.271 1.846 1.00 0.00 C ATOM 151 O LYS A 15 -7.438 6.630 2.741 1.00 0.00 O ATOM 152 CB LYS A 15 -5.165 5.663 1.009 1.00 0.00 C ATOM 153 CG LYS A 15 -3.752 5.439 0.498 1.00 0.00 C ATOM 154 CD LYS A 15 -3.621 5.829 -0.965 1.00 0.00 C ATOM 155 CE LYS A 15 -2.170 6.080 -1.347 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.627 7.302 -0.692 1.00 0.00 N ATOM 0 H LYS A 15 -4.899 6.785 3.559 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.109 7.801 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.375 4.943 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.870 5.464 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.051 6.022 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.481 4.391 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.032 5.038 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.210 6.726 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.566 5.218 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.092 6.183 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.789 7.632 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.352 8.048 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.360 7.081 0.289 1.00 0.00 H new ATOM 170 N GLU A 16 -7.529 8.158 1.092 1.00 0.00 N ATOM 171 CA GLU A 16 -8.948 8.436 1.279 1.00 0.00 C ATOM 172 C GLU A 16 -9.707 8.305 -0.039 1.00 0.00 C ATOM 173 O GLU A 16 -9.642 9.187 -0.896 1.00 0.00 O ATOM 174 CB GLU A 16 -9.145 9.839 1.856 1.00 0.00 C ATOM 175 CG GLU A 16 -10.387 9.974 2.719 1.00 0.00 C ATOM 176 CD GLU A 16 -10.613 11.395 3.199 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.748 11.916 3.934 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.654 11.984 2.841 1.00 0.00 O ATOM 0 H GLU A 16 -7.088 8.696 0.346 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.345 7.703 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.270 10.105 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.203 10.555 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.257 9.644 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.299 9.313 3.581 1.00 0.00 H new ATOM 185 N LEU A 17 -10.425 7.198 -0.194 1.00 0.00 N ATOM 186 CA LEU A 17 -11.196 6.950 -1.407 1.00 0.00 C ATOM 187 C LEU A 17 -12.675 7.246 -1.182 1.00 0.00 C ATOM 188 O LEU A 17 -13.143 7.301 -0.045 1.00 0.00 O ATOM 189 CB LEU A 17 -11.017 5.500 -1.861 1.00 0.00 C ATOM 190 CG LEU A 17 -9.575 5.013 -2.000 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.524 3.493 -2.017 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.938 5.584 -3.259 1.00 0.00 C ATOM 0 H LEU A 17 -10.489 6.458 0.505 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.826 7.616 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.531 4.852 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.515 5.378 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.008 5.365 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.489 3.165 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.940 3.105 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.106 3.119 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.912 5.227 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.506 5.262 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.940 6.673 -3.206 1.00 0.00 H new ATOM 204 N THR A 18 -13.408 7.435 -2.275 1.00 0.00 N ATOM 205 CA THR A 18 -14.835 7.724 -2.198 1.00 0.00 C ATOM 206 C THR A 18 -15.611 6.950 -3.258 1.00 0.00 C ATOM 207 O THR A 18 -15.488 7.222 -4.453 1.00 0.00 O ATOM 208 CB THR A 18 -15.113 9.229 -2.371 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.320 9.983 -1.447 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.586 9.536 -2.150 1.00 0.00 C ATOM 0 H THR A 18 -13.037 7.393 -3.224 1.00 0.00 H new ATOM 0 HA THR A 18 -15.168 7.412 -1.208 1.00 0.00 H new ATOM 0 HB THR A 18 -14.848 9.510 -3.390 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.501 10.939 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.758 10.605 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.185 8.983 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.872 9.240 -1.141 1.00 0.00 H new ATOM 218 N LEU A 19 -16.410 5.987 -2.813 1.00 0.00 N ATOM 219 CA LEU A 19 -17.208 5.174 -3.724 1.00 0.00 C ATOM 220 C LEU A 19 -17.770 6.021 -4.861 1.00 0.00 C ATOM 221 O LEU A 19 -17.931 7.236 -4.741 1.00 0.00 O ATOM 222 CB LEU A 19 -18.350 4.495 -2.966 1.00 0.00 C ATOM 223 CG LEU A 19 -17.970 3.266 -2.139 1.00 0.00 C ATOM 224 CD1 LEU A 19 -19.124 2.849 -1.241 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.558 2.118 -3.049 1.00 0.00 C ATOM 0 H LEU A 19 -16.523 5.750 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.559 4.410 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.805 5.229 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.113 4.201 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.121 3.525 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.835 1.973 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.373 3.667 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.993 2.608 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.291 1.252 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.388 1.859 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.700 2.420 -3.649 1.00 0.00 H new ATOM 237 N PRO A 20 -18.078 5.368 -5.991 1.00 0.00 N ATOM 238 CA PRO A 20 -17.890 3.922 -6.145 1.00 0.00 C ATOM 239 C PRO A 20 -16.417 3.533 -6.205 1.00 0.00 C ATOM 240 O PRO A 20 -16.080 2.352 -6.288 1.00 0.00 O ATOM 241 CB PRO A 20 -18.579 3.615 -7.477 1.00 0.00 C ATOM 242 CG PRO A 20 -18.530 4.898 -8.233 1.00 0.00 C ATOM 243 CD PRO A 20 -18.633 5.989 -7.204 1.00 0.00 C ATOM 0 HA PRO A 20 -18.297 3.365 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.064 2.819 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.606 3.284 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.602 4.982 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.348 4.960 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.067 6.873 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.665 6.306 -7.057 1.00 0.00 H new ATOM 251 N VAL A 21 -15.543 4.533 -6.163 1.00 0.00 N ATOM 252 CA VAL A 21 -14.105 4.295 -6.211 1.00 0.00 C ATOM 253 C VAL A 21 -13.677 3.300 -5.138 1.00 0.00 C ATOM 254 O VAL A 21 -13.381 3.682 -4.006 1.00 0.00 O ATOM 255 CB VAL A 21 -13.313 5.603 -6.029 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.819 5.345 -6.157 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.770 6.647 -7.036 1.00 0.00 C ATOM 0 H VAL A 21 -15.805 5.516 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.885 3.881 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.507 5.988 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.276 6.281 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.506 4.633 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.604 4.936 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.200 7.565 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.608 6.273 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.831 6.853 -6.891 1.00 0.00 H new ATOM 267 N ASP A 22 -13.645 2.023 -5.502 1.00 0.00 N ATOM 268 CA ASP A 22 -13.250 0.972 -4.571 1.00 0.00 C ATOM 269 C ASP A 22 -11.916 0.356 -4.980 1.00 0.00 C ATOM 270 O ASP A 22 -11.704 -0.847 -4.827 1.00 0.00 O ATOM 271 CB ASP A 22 -14.328 -0.112 -4.506 1.00 0.00 C ATOM 272 CG ASP A 22 -14.555 -0.783 -5.846 1.00 0.00 C ATOM 273 OD1 ASP A 22 -15.408 -0.296 -6.616 1.00 0.00 O ATOM 274 OD2 ASP A 22 -13.880 -1.797 -6.124 1.00 0.00 O ATOM 0 H ASP A 22 -13.888 1.690 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.135 1.420 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.040 -0.863 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.263 0.330 -4.161 1.00 0.00 H new ATOM 279 N SER A 23 -11.020 1.189 -5.500 1.00 0.00 N ATOM 280 CA SER A 23 -9.708 0.726 -5.936 1.00 0.00 C ATOM 281 C SER A 23 -8.666 1.830 -5.789 1.00 0.00 C ATOM 282 O SER A 23 -8.891 2.971 -6.194 1.00 0.00 O ATOM 283 CB SER A 23 -9.767 0.254 -7.390 1.00 0.00 C ATOM 284 OG SER A 23 -9.999 1.341 -8.270 1.00 0.00 O ATOM 0 H SER A 23 -11.179 2.188 -5.630 1.00 0.00 H new ATOM 0 HA SER A 23 -9.416 -0.111 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.831 -0.238 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.560 -0.486 -7.504 1.00 0.00 H new ATOM 0 HG SER A 23 -10.031 1.014 -9.193 1.00 0.00 H new ATOM 290 N THR A 24 -7.523 1.483 -5.206 1.00 0.00 N ATOM 291 CA THR A 24 -6.445 2.443 -5.004 1.00 0.00 C ATOM 292 C THR A 24 -5.095 1.840 -5.373 1.00 0.00 C ATOM 293 O THR A 24 -4.995 0.649 -5.674 1.00 0.00 O ATOM 294 CB THR A 24 -6.395 2.932 -3.544 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.493 4.038 -3.429 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.953 1.812 -2.614 1.00 0.00 C ATOM 0 H THR A 24 -7.320 0.543 -4.865 1.00 0.00 H new ATOM 0 HA THR A 24 -6.651 3.291 -5.657 1.00 0.00 H new ATOM 0 HB THR A 24 -7.397 3.249 -3.255 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.798 4.770 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.925 2.180 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.657 0.983 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.960 1.469 -2.904 1.00 0.00 H new ATOM 304 N THR A 25 -4.055 2.668 -5.348 1.00 0.00 N ATOM 305 CA THR A 25 -2.710 2.216 -5.681 1.00 0.00 C ATOM 306 C THR A 25 -1.719 2.582 -4.581 1.00 0.00 C ATOM 307 O THR A 25 -1.548 3.757 -4.252 1.00 0.00 O ATOM 308 CB THR A 25 -2.227 2.820 -7.013 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.311 4.249 -6.962 1.00 0.00 O ATOM 310 CG2 THR A 25 -3.058 2.300 -8.176 1.00 0.00 C ATOM 0 H THR A 25 -4.119 3.655 -5.100 1.00 0.00 H new ATOM 0 HA THR A 25 -2.757 1.131 -5.779 1.00 0.00 H new ATOM 0 HB THR A 25 -1.190 2.522 -7.166 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.075 4.559 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.698 2.741 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.969 1.215 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.103 2.571 -8.026 1.00 0.00 H new ATOM 318 N LEU A 26 -1.069 1.571 -4.016 1.00 0.00 N ATOM 319 CA LEU A 26 -0.094 1.787 -2.953 1.00 0.00 C ATOM 320 C LEU A 26 1.326 1.798 -3.511 1.00 0.00 C ATOM 321 O LEU A 26 2.000 0.768 -3.541 1.00 0.00 O ATOM 322 CB LEU A 26 -0.226 0.700 -1.885 1.00 0.00 C ATOM 323 CG LEU A 26 -1.619 0.521 -1.279 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.755 -0.859 -0.654 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.896 1.605 -0.248 1.00 0.00 C ATOM 0 H LEU A 26 -1.199 0.593 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.295 2.758 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.083 -0.250 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.473 0.923 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.356 0.611 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.752 -0.969 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.601 -1.621 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.009 -0.977 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.891 1.462 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.154 1.548 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.841 2.583 -0.725 1.00 0.00 H new ATOM 337 N ASP A 27 1.775 2.968 -3.949 1.00 0.00 N ATOM 338 CA ASP A 27 3.116 3.114 -4.502 1.00 0.00 C ATOM 339 C ASP A 27 4.126 3.432 -3.404 1.00 0.00 C ATOM 340 O ASP A 27 4.129 4.530 -2.848 1.00 0.00 O ATOM 341 CB ASP A 27 3.136 4.215 -5.564 1.00 0.00 C ATOM 342 CG ASP A 27 2.969 5.599 -4.967 1.00 0.00 C ATOM 343 OD1 ASP A 27 1.897 5.867 -4.384 1.00 0.00 O ATOM 344 OD2 ASP A 27 3.909 6.413 -5.083 1.00 0.00 O ATOM 0 H ASP A 27 1.230 3.830 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 27 3.396 2.168 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.077 4.170 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.339 4.035 -6.285 1.00 0.00 H new ATOM 349 N GLY A 28 4.981 2.462 -3.094 1.00 0.00 N ATOM 350 CA GLY A 28 5.983 2.657 -2.062 1.00 0.00 C ATOM 351 C GLY A 28 7.392 2.675 -2.619 1.00 0.00 C ATOM 352 O GLY A 28 8.323 2.176 -1.986 1.00 0.00 O ATOM 0 H GLY A 28 4.998 1.544 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.788 3.596 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.898 1.861 -1.322 1.00 0.00 H new ATOM 493 N ILE A 38 15.546 -3.557 -2.766 1.00 0.00 N ATOM 494 CA ILE A 38 15.647 -4.667 -3.705 1.00 0.00 C ATOM 495 C ILE A 38 14.452 -5.606 -3.576 1.00 0.00 C ATOM 496 O ILE A 38 14.200 -6.431 -4.455 1.00 0.00 O ATOM 497 CB ILE A 38 16.942 -5.471 -3.488 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.061 -5.905 -2.026 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.152 -4.647 -3.901 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.072 -7.008 -1.803 1.00 0.00 C ATOM 0 HA ILE A 38 15.660 -4.234 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 38 16.905 -6.365 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.338 -5.042 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.085 -6.241 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.060 -5.229 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 38 18.070 -4.384 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.194 -3.737 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.103 -7.265 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 38 17.785 -7.887 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.057 -6.669 -2.123 1.00 0.00 H new ATOM 512 N SER A 39 13.718 -5.473 -2.476 1.00 0.00 N ATOM 513 CA SER A 39 12.549 -6.311 -2.232 1.00 0.00 C ATOM 514 C SER A 39 11.304 -5.457 -2.013 1.00 0.00 C ATOM 515 O SER A 39 11.383 -4.352 -1.474 1.00 0.00 O ATOM 516 CB SER A 39 12.786 -7.209 -1.016 1.00 0.00 C ATOM 517 OG SER A 39 11.926 -8.335 -1.039 1.00 0.00 O ATOM 0 H SER A 39 13.912 -4.794 -1.740 1.00 0.00 H new ATOM 0 HA SER A 39 12.389 -6.935 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.824 -7.541 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.620 -6.639 -0.101 1.00 0.00 H new ATOM 0 HG SER A 39 12.462 -9.155 -1.061 1.00 0.00 H new ATOM 523 N TYR A 40 10.157 -5.976 -2.434 1.00 0.00 N ATOM 524 CA TYR A 40 8.895 -5.261 -2.287 1.00 0.00 C ATOM 525 C TYR A 40 7.752 -6.228 -1.993 1.00 0.00 C ATOM 526 O TYR A 40 7.475 -7.137 -2.777 1.00 0.00 O ATOM 527 CB TYR A 40 8.587 -4.460 -3.554 1.00 0.00 C ATOM 528 CG TYR A 40 9.548 -3.318 -3.796 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.650 -2.267 -2.892 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.352 -3.288 -4.928 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.526 -1.221 -3.109 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.232 -2.247 -5.153 1.00 0.00 C ATOM 533 CZ TYR A 40 11.315 -1.216 -4.241 1.00 0.00 C ATOM 534 OH TYR A 40 12.188 -0.176 -4.462 1.00 0.00 O ATOM 0 H TYR A 40 10.075 -6.890 -2.880 1.00 0.00 H new ATOM 0 HA TYR A 40 8.992 -4.575 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.610 -5.131 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.574 -4.063 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.034 -2.268 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.288 -4.093 -5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.593 -0.412 -2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.851 -2.241 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 40 12.669 -0.326 -5.303 1.00 0.00 H new ATOM 544 N LEU A 41 7.090 -6.025 -0.860 1.00 0.00 N ATOM 545 CA LEU A 41 5.976 -6.877 -0.461 1.00 0.00 C ATOM 546 C LEU A 41 4.831 -6.046 0.109 1.00 0.00 C ATOM 547 O LEU A 41 5.055 -5.090 0.852 1.00 0.00 O ATOM 548 CB LEU A 41 6.439 -7.905 0.574 1.00 0.00 C ATOM 549 CG LEU A 41 5.334 -8.698 1.273 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.542 -7.799 2.208 1.00 0.00 C ATOM 551 CD2 LEU A 41 4.415 -9.348 0.249 1.00 0.00 C ATOM 0 H LEU A 41 7.306 -5.277 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 41 5.615 -7.399 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.109 -8.610 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.024 -7.387 1.334 1.00 0.00 H new ATOM 0 HG LEU A 41 5.798 -9.486 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.760 -8.381 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.209 -7.381 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.088 -6.989 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.635 -9.908 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.959 -8.577 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.993 -10.025 -0.380 1.00 0.00 H new ATOM 563 N TRP A 42 3.605 -6.418 -0.241 1.00 0.00 N ATOM 564 CA TRP A 42 2.425 -5.707 0.238 1.00 0.00 C ATOM 565 C TRP A 42 1.405 -6.678 0.822 1.00 0.00 C ATOM 566 O TRP A 42 0.800 -7.467 0.097 1.00 0.00 O ATOM 567 CB TRP A 42 1.790 -4.906 -0.900 1.00 0.00 C ATOM 568 CG TRP A 42 2.488 -3.608 -1.173 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.454 -3.377 -2.110 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.274 -2.362 -0.500 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.853 -2.063 -2.061 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.144 -1.419 -1.082 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.431 -1.951 0.536 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.194 -0.093 -0.660 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.482 -0.634 0.953 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.358 0.282 0.356 1.00 0.00 C ATOM 0 H TRP A 42 3.402 -7.207 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 42 2.739 -5.021 1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.794 -5.511 -1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.747 -4.705 -0.656 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.847 -4.118 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.562 -1.636 -2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.752 -2.650 1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.869 0.615 -1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.835 -0.305 1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.374 1.304 0.705 1.00 0.00 H new ATOM 587 N GLU A 43 1.220 -6.614 2.137 1.00 0.00 N ATOM 588 CA GLU A 43 0.273 -7.490 2.818 1.00 0.00 C ATOM 589 C GLU A 43 -0.621 -6.693 3.764 1.00 0.00 C ATOM 590 O GLU A 43 -0.152 -5.813 4.486 1.00 0.00 O ATOM 591 CB GLU A 43 1.017 -8.577 3.596 1.00 0.00 C ATOM 592 CG GLU A 43 1.575 -9.682 2.715 1.00 0.00 C ATOM 593 CD GLU A 43 0.499 -10.625 2.212 1.00 0.00 C ATOM 594 OE1 GLU A 43 -0.685 -10.229 2.214 1.00 0.00 O ATOM 595 OE2 GLU A 43 0.841 -11.759 1.816 1.00 0.00 O ATOM 0 H GLU A 43 1.713 -5.966 2.751 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.355 -7.961 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.835 -8.119 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.340 -9.015 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.091 -9.238 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.317 -10.250 3.276 1.00 0.00 H new ATOM 602 N LYS A 44 -1.912 -7.008 3.755 1.00 0.00 N ATOM 603 CA LYS A 44 -2.873 -6.324 4.611 1.00 0.00 C ATOM 604 C LYS A 44 -2.768 -6.818 6.050 1.00 0.00 C ATOM 605 O LYS A 44 -2.933 -8.008 6.323 1.00 0.00 O ATOM 606 CB LYS A 44 -4.296 -6.539 4.090 1.00 0.00 C ATOM 607 CG LYS A 44 -5.371 -5.986 5.009 1.00 0.00 C ATOM 608 CD LYS A 44 -6.604 -5.557 4.231 1.00 0.00 C ATOM 609 CE LYS A 44 -7.589 -6.705 4.071 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.957 -6.220 3.740 1.00 0.00 N ATOM 0 H LYS A 44 -2.317 -7.734 3.163 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.643 -5.259 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.390 -6.069 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.465 -7.607 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.648 -6.743 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.975 -5.135 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.090 -4.728 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.307 -5.192 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.241 -7.375 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.623 -7.286 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.655 -6.946 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.153 -5.347 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.020 -6.028 2.720 1.00 0.00 H new ATOM 624 N THR A 45 -2.494 -5.898 6.969 1.00 0.00 N ATOM 625 CA THR A 45 -2.367 -6.240 8.380 1.00 0.00 C ATOM 626 C THR A 45 -3.721 -6.195 9.081 1.00 0.00 C ATOM 627 O THR A 45 -4.083 -7.119 9.808 1.00 0.00 O ATOM 628 CB THR A 45 -1.396 -5.289 9.104 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.458 -3.985 8.517 1.00 0.00 O ATOM 630 CG2 THR A 45 0.030 -5.815 9.034 1.00 0.00 C ATOM 0 H THR A 45 -2.356 -4.909 6.761 1.00 0.00 H new ATOM 0 HA THR A 45 -1.971 -7.255 8.424 1.00 0.00 H new ATOM 0 HB THR A 45 -1.694 -5.230 10.151 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.344 -3.846 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.698 -5.127 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.080 -6.795 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.335 -5.901 7.991 1.00 0.00 H new ATOM 638 N GLN A 46 -4.463 -5.116 8.855 1.00 0.00 N ATOM 639 CA GLN A 46 -5.777 -4.953 9.465 1.00 0.00 C ATOM 640 C GLN A 46 -6.833 -4.645 8.409 1.00 0.00 C ATOM 641 O GLN A 46 -6.508 -4.289 7.277 1.00 0.00 O ATOM 642 CB GLN A 46 -5.742 -3.835 10.509 1.00 0.00 C ATOM 643 CG GLN A 46 -5.412 -4.323 11.911 1.00 0.00 C ATOM 644 CD GLN A 46 -5.057 -3.190 12.854 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.123 -2.428 12.604 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.803 -3.074 13.947 1.00 0.00 N ATOM 0 H GLN A 46 -4.177 -4.343 8.255 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.042 -5.890 9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.004 -3.092 10.209 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.710 -3.334 10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.265 -4.870 12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.579 -5.024 11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.568 -3.728 14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.611 -2.331 14.619 1.00 0.00 H new ATOM 655 N GLY A 47 -8.100 -4.784 8.788 1.00 0.00 N ATOM 656 CA GLY A 47 -9.185 -4.517 7.861 1.00 0.00 C ATOM 657 C GLY A 47 -9.979 -5.764 7.523 1.00 0.00 C ATOM 658 O GLY A 47 -9.565 -6.886 7.812 1.00 0.00 O ATOM 0 H GLY A 47 -8.394 -5.077 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.852 -3.771 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.779 -4.089 6.945 1.00 0.00 H new ATOM 662 N PRO A 48 -11.149 -5.573 6.897 1.00 0.00 N ATOM 663 CA PRO A 48 -12.028 -6.679 6.507 1.00 0.00 C ATOM 664 C PRO A 48 -11.444 -7.510 5.370 1.00 0.00 C ATOM 665 O PRO A 48 -11.273 -7.019 4.254 1.00 0.00 O ATOM 666 CB PRO A 48 -13.307 -5.973 6.051 1.00 0.00 C ATOM 667 CG PRO A 48 -12.860 -4.617 5.626 1.00 0.00 C ATOM 668 CD PRO A 48 -11.705 -4.262 6.522 1.00 0.00 C ATOM 0 HA PRO A 48 -12.183 -7.384 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.783 -6.508 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.036 -5.914 6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.556 -4.616 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.667 -3.891 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.969 -3.647 6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.033 -3.699 7.396 1.00 0.00 H new ATOM 676 N ASP A 49 -11.140 -8.771 5.660 1.00 0.00 N ATOM 677 CA ASP A 49 -10.576 -9.671 4.661 1.00 0.00 C ATOM 678 C ASP A 49 -11.521 -9.824 3.473 1.00 0.00 C ATOM 679 O ASP A 49 -12.720 -10.043 3.644 1.00 0.00 O ATOM 680 CB ASP A 49 -10.289 -11.039 5.280 1.00 0.00 C ATOM 681 CG ASP A 49 -8.913 -11.111 5.912 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.783 -10.733 7.096 1.00 0.00 O ATOM 683 OD2 ASP A 49 -7.966 -11.546 5.224 1.00 0.00 O ATOM 0 H ASP A 49 -11.275 -9.193 6.579 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.641 -9.239 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.044 -11.259 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.373 -11.807 4.511 1.00 0.00 H new ATOM 688 N GLY A 50 -10.972 -9.707 2.267 1.00 0.00 N ATOM 689 CA GLY A 50 -11.781 -9.835 1.069 1.00 0.00 C ATOM 690 C GLY A 50 -11.151 -9.155 -0.130 1.00 0.00 C ATOM 691 O GLY A 50 -11.153 -9.699 -1.234 1.00 0.00 O ATOM 0 H GLY A 50 -9.982 -9.526 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.931 -10.891 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.766 -9.405 1.251 1.00 0.00 H new ATOM 695 N VAL A 51 -10.611 -7.959 0.085 1.00 0.00 N ATOM 696 CA VAL A 51 -9.976 -7.203 -0.987 1.00 0.00 C ATOM 697 C VAL A 51 -8.943 -8.051 -1.721 1.00 0.00 C ATOM 698 O VAL A 51 -8.493 -9.076 -1.210 1.00 0.00 O ATOM 699 CB VAL A 51 -9.291 -5.933 -0.448 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.234 -5.162 0.463 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.005 -6.290 0.282 1.00 0.00 C ATOM 0 H VAL A 51 -10.601 -7.493 0.992 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.765 -6.915 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.037 -5.293 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.732 -4.268 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.124 -4.873 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.523 -5.792 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.534 -5.381 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.233 -6.951 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.325 -6.794 -0.404 1.00 0.00 H new ATOM 711 N GLN A 52 -8.573 -7.616 -2.921 1.00 0.00 N ATOM 712 CA GLN A 52 -7.593 -8.337 -3.725 1.00 0.00 C ATOM 713 C GLN A 52 -6.361 -7.476 -3.982 1.00 0.00 C ATOM 714 O GLN A 52 -6.460 -6.382 -4.540 1.00 0.00 O ATOM 715 CB GLN A 52 -8.213 -8.770 -5.054 1.00 0.00 C ATOM 716 CG GLN A 52 -8.899 -10.125 -4.992 1.00 0.00 C ATOM 717 CD GLN A 52 -7.915 -11.275 -4.906 1.00 0.00 C ATOM 718 OE1 GLN A 52 -6.844 -11.237 -5.514 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.273 -12.306 -4.149 1.00 0.00 N ATOM 0 H GLN A 52 -8.936 -6.769 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.285 -9.223 -3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.938 -8.019 -5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.434 -8.801 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.561 -10.153 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.524 -10.252 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.170 -12.295 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.651 -13.109 -4.053 1.00 0.00 H new ATOM 728 N LEU A 53 -5.200 -7.975 -3.571 1.00 0.00 N ATOM 729 CA LEU A 53 -3.947 -7.251 -3.757 1.00 0.00 C ATOM 730 C LEU A 53 -3.207 -7.752 -4.993 1.00 0.00 C ATOM 731 O LEU A 53 -2.823 -8.919 -5.068 1.00 0.00 O ATOM 732 CB LEU A 53 -3.060 -7.403 -2.520 1.00 0.00 C ATOM 733 CG LEU A 53 -3.185 -6.304 -1.465 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.949 -6.872 -0.073 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.210 -5.173 -1.754 1.00 0.00 C ATOM 0 H LEU A 53 -5.100 -8.878 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.182 -6.196 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.289 -8.359 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.021 -7.449 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.197 -5.902 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.042 -6.076 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.687 -7.647 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.948 -7.301 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.313 -4.400 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.191 -5.559 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.426 -4.748 -2.734 1.00 0.00 H new ATOM 747 N GLU A 54 -3.008 -6.860 -5.959 1.00 0.00 N ATOM 748 CA GLU A 54 -2.312 -7.213 -7.191 1.00 0.00 C ATOM 749 C GLU A 54 -0.884 -6.676 -7.181 1.00 0.00 C ATOM 750 O GLU A 54 -0.623 -5.584 -6.680 1.00 0.00 O ATOM 751 CB GLU A 54 -3.066 -6.664 -8.404 1.00 0.00 C ATOM 752 CG GLU A 54 -4.114 -7.618 -8.952 1.00 0.00 C ATOM 753 CD GLU A 54 -5.270 -6.896 -9.617 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.963 -6.122 -8.923 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.482 -7.104 -10.830 1.00 0.00 O ATOM 0 H GLU A 54 -3.318 -5.889 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.273 -8.300 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.549 -5.727 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.350 -6.433 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.647 -8.289 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.496 -8.237 -8.140 1.00 0.00 H new ATOM 762 N ASN A 55 0.038 -7.455 -7.739 1.00 0.00 N ATOM 763 CA ASN A 55 1.441 -7.059 -7.794 1.00 0.00 C ATOM 764 C ASN A 55 1.965 -6.719 -6.402 1.00 0.00 C ATOM 765 O ASN A 55 2.885 -5.916 -6.254 1.00 0.00 O ATOM 766 CB ASN A 55 1.618 -5.858 -8.725 1.00 0.00 C ATOM 767 CG ASN A 55 1.876 -6.273 -10.161 1.00 0.00 C ATOM 768 OD1 ASN A 55 3.002 -6.604 -10.530 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.829 -6.256 -10.979 1.00 0.00 N ATOM 0 H ASN A 55 -0.161 -8.363 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 55 2.015 -7.900 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.724 -5.235 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.448 -5.247 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.941 -6.525 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.087 -5.974 -10.629 1.00 0.00 H new ATOM 776 N ALA A 56 1.372 -7.337 -5.386 1.00 0.00 N ATOM 777 CA ALA A 56 1.781 -7.102 -4.006 1.00 0.00 C ATOM 778 C ALA A 56 3.292 -7.237 -3.851 1.00 0.00 C ATOM 779 O ALA A 56 3.902 -6.566 -3.019 1.00 0.00 O ATOM 780 CB ALA A 56 1.064 -8.066 -3.072 1.00 0.00 C ATOM 0 H ALA A 56 0.607 -8.004 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 56 1.505 -6.082 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.379 -7.880 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.013 -7.919 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.312 -9.091 -3.347 1.00 0.00 H new ATOM 786 N ASN A 57 3.890 -8.108 -4.656 1.00 0.00 N ATOM 787 CA ASN A 57 5.330 -8.332 -4.607 1.00 0.00 C ATOM 788 C ASN A 57 6.067 -7.327 -5.487 1.00 0.00 C ATOM 789 O ASN A 57 7.076 -7.655 -6.110 1.00 0.00 O ATOM 790 CB ASN A 57 5.662 -9.757 -5.053 1.00 0.00 C ATOM 791 CG ASN A 57 5.581 -10.754 -3.913 1.00 0.00 C ATOM 792 OD1 ASN A 57 6.409 -10.740 -3.002 1.00 0.00 O ATOM 793 ND2 ASN A 57 4.580 -11.626 -3.959 1.00 0.00 N ATOM 0 H ASN A 57 3.399 -8.671 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 57 5.658 -8.196 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.974 -10.057 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.665 -9.777 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.475 -12.321 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.917 -11.601 -4.734 1.00 0.00 H new ATOM 800 N SER A 58 5.556 -6.101 -5.531 1.00 0.00 N ATOM 801 CA SER A 58 6.163 -5.048 -6.337 1.00 0.00 C ATOM 802 C SER A 58 6.102 -3.706 -5.613 1.00 0.00 C ATOM 803 O SER A 58 5.415 -3.565 -4.602 1.00 0.00 O ATOM 804 CB SER A 58 5.458 -4.942 -7.691 1.00 0.00 C ATOM 805 OG SER A 58 6.267 -4.260 -8.634 1.00 0.00 O ATOM 0 H SER A 58 4.723 -5.812 -5.018 1.00 0.00 H new ATOM 0 HA SER A 58 7.209 -5.307 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.224 -5.940 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.511 -4.416 -7.571 1.00 0.00 H new ATOM 0 HG SER A 58 5.796 -4.207 -9.491 1.00 0.00 H new ATOM 811 N SER A 59 6.828 -2.724 -6.138 1.00 0.00 N ATOM 812 CA SER A 59 6.861 -1.394 -5.540 1.00 0.00 C ATOM 813 C SER A 59 5.469 -0.769 -5.530 1.00 0.00 C ATOM 814 O SER A 59 5.074 -0.120 -4.561 1.00 0.00 O ATOM 815 CB SER A 59 7.832 -0.492 -6.305 1.00 0.00 C ATOM 816 OG SER A 59 7.366 -0.240 -7.619 1.00 0.00 O ATOM 0 H SER A 59 7.401 -2.824 -6.976 1.00 0.00 H new ATOM 0 HA SER A 59 7.203 -1.493 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.954 0.451 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.814 -0.963 -6.348 1.00 0.00 H new ATOM 0 HG SER A 59 8.003 0.340 -8.086 1.00 0.00 H new ATOM 822 N VAL A 60 4.729 -0.969 -6.616 1.00 0.00 N ATOM 823 CA VAL A 60 3.381 -0.427 -6.733 1.00 0.00 C ATOM 824 C VAL A 60 2.341 -1.541 -6.772 1.00 0.00 C ATOM 825 O VAL A 60 2.348 -2.379 -7.674 1.00 0.00 O ATOM 826 CB VAL A 60 3.233 0.442 -7.996 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.836 1.039 -8.074 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.291 1.535 -8.017 1.00 0.00 C ATOM 0 H VAL A 60 5.041 -1.503 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 60 3.212 0.193 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 60 3.380 -0.191 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.751 1.650 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.099 0.237 -8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.656 1.659 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.172 2.140 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.178 2.168 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.282 1.082 -8.013 1.00 0.00 H new ATOM 838 N ALA A 61 1.448 -1.545 -5.788 1.00 0.00 N ATOM 839 CA ALA A 61 0.400 -2.555 -5.711 1.00 0.00 C ATOM 840 C ALA A 61 -0.979 -1.929 -5.884 1.00 0.00 C ATOM 841 O ALA A 61 -1.150 -0.720 -5.720 1.00 0.00 O ATOM 842 CB ALA A 61 0.482 -3.300 -4.386 1.00 0.00 C ATOM 0 H ALA A 61 1.429 -0.860 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 61 0.552 -3.265 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.306 -4.051 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.453 -3.788 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.358 -2.595 -3.564 1.00 0.00 H new ATOM 848 N THR A 62 -1.963 -2.759 -6.216 1.00 0.00 N ATOM 849 CA THR A 62 -3.328 -2.287 -6.413 1.00 0.00 C ATOM 850 C THR A 62 -4.325 -3.152 -5.651 1.00 0.00 C ATOM 851 O THR A 62 -4.347 -4.373 -5.805 1.00 0.00 O ATOM 852 CB THR A 62 -3.709 -2.278 -7.905 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.846 -1.391 -8.626 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.156 -1.848 -8.092 1.00 0.00 C ATOM 0 H THR A 62 -1.840 -3.762 -6.354 1.00 0.00 H new ATOM 0 HA THR A 62 -3.368 -1.268 -6.029 1.00 0.00 H new ATOM 0 HB THR A 62 -3.595 -3.291 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.094 -1.392 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.402 -1.849 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.812 -2.542 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.292 -0.844 -7.689 1.00 0.00 H new ATOM 862 N VAL A 63 -5.149 -2.512 -4.828 1.00 0.00 N ATOM 863 CA VAL A 63 -6.150 -3.223 -4.042 1.00 0.00 C ATOM 864 C VAL A 63 -7.557 -2.937 -4.555 1.00 0.00 C ATOM 865 O VAL A 63 -7.986 -1.784 -4.614 1.00 0.00 O ATOM 866 CB VAL A 63 -6.071 -2.840 -2.552 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.304 -3.331 -1.808 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.803 -3.398 -1.926 1.00 0.00 C ATOM 0 H VAL A 63 -5.143 -1.502 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.937 -4.287 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.039 -1.753 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.230 -3.051 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.195 -2.878 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.371 -4.416 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.763 -3.118 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.802 -4.485 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.933 -2.992 -2.442 1.00 0.00 H new ATOM 878 N THR A 64 -8.273 -3.994 -4.927 1.00 0.00 N ATOM 879 CA THR A 64 -9.631 -3.857 -5.436 1.00 0.00 C ATOM 880 C THR A 64 -10.637 -4.527 -4.507 1.00 0.00 C ATOM 881 O THR A 64 -10.269 -5.343 -3.663 1.00 0.00 O ATOM 882 CB THR A 64 -9.767 -4.464 -6.845 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.674 -5.891 -6.774 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.688 -3.926 -7.772 1.00 0.00 C ATOM 0 H THR A 64 -7.934 -4.955 -4.885 1.00 0.00 H new ATOM 0 HA THR A 64 -9.843 -2.789 -5.487 1.00 0.00 H new ATOM 0 HB THR A 64 -10.741 -4.183 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.763 -6.270 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.804 -4.369 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.779 -2.842 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.706 -4.181 -7.374 1.00 0.00 H new ATOM 892 N GLY A 65 -11.910 -4.178 -4.669 1.00 0.00 N ATOM 893 CA GLY A 65 -12.949 -4.756 -3.837 1.00 0.00 C ATOM 894 C GLY A 65 -12.986 -4.148 -2.449 1.00 0.00 C ATOM 895 O GLY A 65 -13.155 -4.858 -1.457 1.00 0.00 O ATOM 0 H GLY A 65 -12.240 -3.506 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.917 -4.614 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.789 -5.831 -3.755 1.00 0.00 H new ATOM 899 N LEU A 66 -12.827 -2.832 -2.377 1.00 0.00 N ATOM 900 CA LEU A 66 -12.842 -2.128 -1.100 1.00 0.00 C ATOM 901 C LEU A 66 -14.246 -1.635 -0.766 1.00 0.00 C ATOM 902 O LEU A 66 -15.160 -1.737 -1.583 1.00 0.00 O ATOM 903 CB LEU A 66 -11.869 -0.947 -1.134 1.00 0.00 C ATOM 904 CG LEU A 66 -10.388 -1.302 -1.264 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.638 -0.202 -1.999 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.775 -1.543 0.108 1.00 0.00 C ATOM 0 H LEU A 66 -12.686 -2.230 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.528 -2.827 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.142 -0.301 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.004 -0.364 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.304 -2.221 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.585 -0.472 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.060 -0.077 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.730 0.733 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.720 -1.795 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.871 -0.641 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.294 -2.366 0.599 1.00 0.00 H new ATOM 918 N GLN A 67 -14.408 -1.099 0.440 1.00 0.00 N ATOM 919 CA GLN A 67 -15.701 -0.589 0.881 1.00 0.00 C ATOM 920 C GLN A 67 -15.557 0.222 2.165 1.00 0.00 C ATOM 921 O GLN A 67 -14.548 0.125 2.863 1.00 0.00 O ATOM 922 CB GLN A 67 -16.681 -1.743 1.099 1.00 0.00 C ATOM 923 CG GLN A 67 -16.364 -2.587 2.323 1.00 0.00 C ATOM 924 CD GLN A 67 -17.187 -3.858 2.385 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.465 -4.482 1.360 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.583 -4.250 3.590 1.00 0.00 N ATOM 0 H GLN A 67 -13.661 -1.007 1.128 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.090 0.066 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.689 -1.339 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.679 -2.383 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.305 -2.845 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.544 -1.998 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.330 -3.703 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.140 -5.098 3.693 1.00 0.00 H new ATOM 935 N VAL A 68 -16.574 1.022 2.471 1.00 0.00 N ATOM 936 CA VAL A 68 -16.561 1.849 3.671 1.00 0.00 C ATOM 937 C VAL A 68 -15.943 1.101 4.847 1.00 0.00 C ATOM 938 O VAL A 68 -16.618 0.334 5.532 1.00 0.00 O ATOM 939 CB VAL A 68 -17.982 2.302 4.055 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.965 3.047 5.382 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.580 3.168 2.956 1.00 0.00 C ATOM 0 H VAL A 68 -17.417 1.114 1.904 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.956 2.727 3.444 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.608 1.417 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.978 3.359 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.580 2.391 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.325 3.925 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.584 3.479 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.956 4.049 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.629 2.597 2.029 1.00 0.00 H new ATOM 951 N GLY A 69 -14.654 1.331 5.076 1.00 0.00 N ATOM 952 CA GLY A 69 -13.965 0.672 6.171 1.00 0.00 C ATOM 953 C GLY A 69 -12.511 1.085 6.273 1.00 0.00 C ATOM 954 O GLY A 69 -12.029 1.893 5.479 1.00 0.00 O ATOM 0 H GLY A 69 -14.074 1.962 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.472 0.904 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.024 -0.408 6.036 1.00 0.00 H new ATOM 958 N THR A 70 -11.808 0.532 7.257 1.00 0.00 N ATOM 959 CA THR A 70 -10.400 0.850 7.463 1.00 0.00 C ATOM 960 C THR A 70 -9.505 -0.289 6.991 1.00 0.00 C ATOM 961 O THR A 70 -9.711 -1.447 7.356 1.00 0.00 O ATOM 962 CB THR A 70 -10.102 1.141 8.946 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.119 1.988 9.493 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.742 1.806 9.103 1.00 0.00 C ATOM 0 H THR A 70 -12.191 -0.138 7.924 1.00 0.00 H new ATOM 0 HA THR A 70 -10.188 1.743 6.875 1.00 0.00 H new ATOM 0 HB THR A 70 -10.091 0.194 9.485 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.923 2.167 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.553 2.002 10.158 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.967 1.147 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.731 2.746 8.551 1.00 0.00 H new ATOM 972 N TYR A 71 -8.509 0.046 6.178 1.00 0.00 N ATOM 973 CA TYR A 71 -7.582 -0.951 5.654 1.00 0.00 C ATOM 974 C TYR A 71 -6.136 -0.543 5.921 1.00 0.00 C ATOM 975 O TYR A 71 -5.665 0.479 5.424 1.00 0.00 O ATOM 976 CB TYR A 71 -7.800 -1.141 4.152 1.00 0.00 C ATOM 977 CG TYR A 71 -9.158 -1.708 3.804 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.261 -0.876 3.652 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.339 -3.074 3.629 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.504 -1.390 3.335 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.578 -3.596 3.310 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.657 -2.750 3.165 1.00 0.00 C ATOM 983 OH TYR A 71 -12.893 -3.266 2.850 1.00 0.00 O ATOM 0 H TYR A 71 -8.323 1.000 5.868 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.775 -1.894 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.677 -0.181 3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.028 -1.804 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.145 0.190 3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.497 -3.740 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.351 -0.730 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.700 -4.661 3.175 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.792 -4.188 2.533 1.00 0.00 H new ATOM 993 N VAL A 72 -5.437 -1.353 6.710 1.00 0.00 N ATOM 994 CA VAL A 72 -4.044 -1.079 7.044 1.00 0.00 C ATOM 995 C VAL A 72 -3.104 -2.005 6.280 1.00 0.00 C ATOM 996 O VAL A 72 -3.036 -3.203 6.556 1.00 0.00 O ATOM 997 CB VAL A 72 -3.787 -1.237 8.554 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.393 -0.747 8.913 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.845 -0.493 9.355 1.00 0.00 C ATOM 0 H VAL A 72 -5.812 -2.204 7.130 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.847 -0.046 6.756 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.850 -2.295 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.230 -0.867 9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.651 -1.328 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.298 0.306 8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.648 -0.615 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.816 0.566 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.830 -0.896 9.120 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.380 -1.442 5.318 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.444 -2.217 4.513 1.00 0.00 C ATOM 1011 C PHE A 73 -0.003 -1.928 4.925 1.00 0.00 C ATOM 1012 O PHE A 73 0.442 -0.780 4.905 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.634 -1.903 3.028 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.022 -2.187 2.528 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.383 -3.467 2.138 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.964 -1.175 2.448 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.660 -3.732 1.678 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.242 -1.434 1.989 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.590 -2.714 1.602 1.00 0.00 C ATOM 0 H PHE A 73 -2.424 -0.452 5.077 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.647 -3.274 4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.402 -0.852 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.920 -2.487 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.659 -4.266 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.697 -0.172 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.930 -4.734 1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.968 -0.636 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.587 -2.918 1.241 1.00 0.00 H new ATOM 1029 N THR A 74 0.721 -2.978 5.300 1.00 0.00 N ATOM 1030 CA THR A 74 2.110 -2.838 5.718 1.00 0.00 C ATOM 1031 C THR A 74 3.064 -3.266 4.610 1.00 0.00 C ATOM 1032 O THR A 74 3.173 -4.451 4.293 1.00 0.00 O ATOM 1033 CB THR A 74 2.403 -3.670 6.982 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.555 -3.245 8.055 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.860 -3.532 7.395 1.00 0.00 C ATOM 0 H THR A 74 0.368 -3.935 5.323 1.00 0.00 H new ATOM 0 HA THR A 74 2.268 -1.783 5.941 1.00 0.00 H new ATOM 0 HB THR A 74 2.204 -4.717 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.013 -3.387 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.043 -4.128 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.502 -3.883 6.587 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.081 -2.486 7.605 1.00 0.00 H new ATOM 1043 N LEU A 75 3.755 -2.295 4.023 1.00 0.00 N ATOM 1044 CA LEU A 75 4.702 -2.572 2.948 1.00 0.00 C ATOM 1045 C LEU A 75 6.056 -2.992 3.511 1.00 0.00 C ATOM 1046 O LEU A 75 6.746 -2.201 4.155 1.00 0.00 O ATOM 1047 CB LEU A 75 4.868 -1.339 2.058 1.00 0.00 C ATOM 1048 CG LEU A 75 6.211 -1.206 1.339 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.321 -2.229 0.219 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.387 0.204 0.795 1.00 0.00 C ATOM 0 H LEU A 75 3.677 -1.309 4.273 1.00 0.00 H new ATOM 0 HA LEU A 75 4.306 -3.393 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.077 -1.347 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.717 -0.450 2.671 1.00 0.00 H new ATOM 0 HG LEU A 75 7.007 -1.399 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.283 -2.119 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.241 -3.233 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.518 -2.069 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.348 0.280 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.585 0.425 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.354 0.918 1.618 1.00 0.00 H new ATOM 1062 N THR A 76 6.432 -4.243 3.262 1.00 0.00 N ATOM 1063 CA THR A 76 7.704 -4.769 3.742 1.00 0.00 C ATOM 1064 C THR A 76 8.758 -4.751 2.640 1.00 0.00 C ATOM 1065 O THR A 76 8.546 -5.294 1.556 1.00 0.00 O ATOM 1066 CB THR A 76 7.553 -6.208 4.270 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.302 -6.351 4.952 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.694 -6.561 5.212 1.00 0.00 C ATOM 0 H THR A 76 5.873 -4.911 2.731 1.00 0.00 H new ATOM 0 HA THR A 76 8.026 -4.122 4.558 1.00 0.00 H new ATOM 0 HB THR A 76 7.582 -6.889 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.410 -6.094 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.566 -7.582 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.642 -6.480 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.692 -5.875 6.059 1.00 0.00 H new ATOM 1076 N VAL A 77 9.894 -4.124 2.925 1.00 0.00 N ATOM 1077 CA VAL A 77 10.983 -4.038 1.958 1.00 0.00 C ATOM 1078 C VAL A 77 12.317 -4.403 2.599 1.00 0.00 C ATOM 1079 O VAL A 77 12.484 -4.301 3.815 1.00 0.00 O ATOM 1080 CB VAL A 77 11.086 -2.625 1.354 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.886 -2.335 0.465 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.207 -1.582 2.455 1.00 0.00 C ATOM 0 H VAL A 77 10.085 -3.668 3.817 1.00 0.00 H new ATOM 0 HA VAL A 77 10.758 -4.750 1.164 1.00 0.00 H new ATOM 0 HB VAL A 77 11.984 -2.577 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.976 -1.332 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.849 -3.063 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.972 -2.401 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.279 -0.590 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.328 -1.628 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.101 -1.780 3.047 1.00 0.00 H new ATOM 1092 N LYS A 78 13.266 -4.829 1.773 1.00 0.00 N ATOM 1093 CA LYS A 78 14.589 -5.208 2.257 1.00 0.00 C ATOM 1094 C LYS A 78 15.682 -4.618 1.372 1.00 0.00 C ATOM 1095 O LYS A 78 15.480 -4.409 0.176 1.00 0.00 O ATOM 1096 CB LYS A 78 14.720 -6.733 2.301 1.00 0.00 C ATOM 1097 CG LYS A 78 14.290 -7.342 3.624 1.00 0.00 C ATOM 1098 CD LYS A 78 14.172 -8.854 3.528 1.00 0.00 C ATOM 1099 CE LYS A 78 12.772 -9.278 3.111 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.612 -9.283 1.630 1.00 0.00 N ATOM 0 H LYS A 78 13.144 -4.921 0.764 1.00 0.00 H new ATOM 0 HA LYS A 78 14.708 -4.810 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.120 -7.164 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.757 -7.006 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.012 -7.081 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.332 -6.919 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.898 -9.232 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.417 -9.301 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.562 -10.274 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.041 -8.601 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.123 -10.153 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.052 -8.456 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.549 -9.243 1.180 1.00 0.00 H new ATOM 1114 N ASP A 79 16.840 -4.353 1.967 1.00 0.00 N ATOM 1115 CA ASP A 79 17.966 -3.790 1.232 1.00 0.00 C ATOM 1116 C ASP A 79 19.082 -4.818 1.076 1.00 0.00 C ATOM 1117 O ASP A 79 19.012 -5.913 1.633 1.00 0.00 O ATOM 1118 CB ASP A 79 18.498 -2.546 1.947 1.00 0.00 C ATOM 1119 CG ASP A 79 19.399 -1.710 1.059 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.987 -1.398 -0.077 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.516 -1.368 1.501 1.00 0.00 O ATOM 0 H ASP A 79 17.023 -4.519 2.957 1.00 0.00 H new ATOM 0 HA ASP A 79 17.615 -3.508 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.659 -1.937 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.050 -2.850 2.837 1.00 0.00 H new ATOM 1126 N GLU A 80 20.110 -4.457 0.314 1.00 0.00 N ATOM 1127 CA GLU A 80 21.239 -5.350 0.084 1.00 0.00 C ATOM 1128 C GLU A 80 21.712 -5.978 1.391 1.00 0.00 C ATOM 1129 O GLU A 80 22.122 -7.138 1.423 1.00 0.00 O ATOM 1130 CB GLU A 80 22.392 -4.590 -0.576 1.00 0.00 C ATOM 1131 CG GLU A 80 22.073 -4.097 -1.977 1.00 0.00 C ATOM 1132 CD GLU A 80 23.098 -3.106 -2.495 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.657 -2.348 -1.675 1.00 0.00 O ATOM 1134 OE2 GLU A 80 23.340 -3.090 -3.720 1.00 0.00 O ATOM 0 H GLU A 80 20.184 -3.554 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 80 20.909 -6.147 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.658 -3.737 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.267 -5.239 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.022 -4.949 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.088 -3.629 -1.978 1.00 0.00 H new ATOM 1141 N ARG A 81 21.652 -5.202 2.469 1.00 0.00 N ATOM 1142 CA ARG A 81 22.076 -5.681 3.779 1.00 0.00 C ATOM 1143 C ARG A 81 20.941 -6.422 4.480 1.00 0.00 C ATOM 1144 O ARG A 81 20.830 -6.392 5.705 1.00 0.00 O ATOM 1145 CB ARG A 81 22.547 -4.511 4.646 1.00 0.00 C ATOM 1146 CG ARG A 81 23.948 -4.029 4.307 1.00 0.00 C ATOM 1147 CD ARG A 81 25.006 -5.006 4.794 1.00 0.00 C ATOM 1148 NE ARG A 81 25.187 -6.122 3.869 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.679 -5.987 2.642 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.038 -4.791 2.196 1.00 0.00 N ATOM 1151 NH2 ARG A 81 25.814 -7.050 1.859 1.00 0.00 N ATOM 0 H ARG A 81 21.314 -4.240 2.461 1.00 0.00 H new ATOM 0 HA ARG A 81 22.905 -6.374 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.849 -3.682 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.518 -4.811 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.039 -3.901 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.117 -3.052 4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 81 25.953 -4.482 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.722 -5.390 5.774 1.00 0.00 H new ATOM 0 HE ARG A 81 24.921 -7.056 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.937 -3.972 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.415 -4.690 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 81 25.540 -7.972 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 81 26.192 -6.945 0.917 1.00 0.00 H new ATOM 1165 N ASN A 82 20.101 -7.087 3.694 1.00 0.00 N ATOM 1166 CA ASN A 82 18.974 -7.835 4.239 1.00 0.00 C ATOM 1167 C ASN A 82 18.331 -7.082 5.399 1.00 0.00 C ATOM 1168 O ASN A 82 17.856 -7.688 6.361 1.00 0.00 O ATOM 1169 CB ASN A 82 19.431 -9.219 4.706 1.00 0.00 C ATOM 1170 CG ASN A 82 19.749 -10.144 3.547 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.979 -10.249 2.592 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.889 -10.821 3.626 1.00 0.00 N ATOM 0 H ASN A 82 20.179 -7.123 2.678 1.00 0.00 H new ATOM 0 HA ASN A 82 18.232 -7.952 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.314 -9.114 5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.652 -9.667 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.156 -11.459 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.497 -10.703 4.436 1.00 0.00 H new ATOM 1179 N LEU A 83 18.318 -5.757 5.302 1.00 0.00 N ATOM 1180 CA LEU A 83 17.732 -4.919 6.343 1.00 0.00 C ATOM 1181 C LEU A 83 16.208 -4.978 6.296 1.00 0.00 C ATOM 1182 O LEU A 83 15.598 -4.663 5.275 1.00 0.00 O ATOM 1183 CB LEU A 83 18.203 -3.473 6.186 1.00 0.00 C ATOM 1184 CG LEU A 83 19.716 -3.252 6.225 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.073 -1.899 5.629 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.235 -3.362 7.651 1.00 0.00 C ATOM 0 H LEU A 83 18.706 -5.240 4.513 1.00 0.00 H new ATOM 0 HA LEU A 83 18.062 -5.299 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.824 -3.089 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.748 -2.876 6.976 1.00 0.00 H new ATOM 0 HG LEU A 83 20.193 -4.028 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.153 -1.759 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.736 -1.857 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.586 -1.109 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.313 -3.202 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.752 -2.609 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.013 -4.354 8.044 1.00 0.00 H new ATOM 1198 N GLN A 84 15.602 -5.381 7.408 1.00 0.00 N ATOM 1199 CA GLN A 84 14.150 -5.479 7.493 1.00 0.00 C ATOM 1200 C GLN A 84 13.539 -4.147 7.916 1.00 0.00 C ATOM 1201 O GLN A 84 13.905 -3.584 8.948 1.00 0.00 O ATOM 1202 CB GLN A 84 13.749 -6.574 8.482 1.00 0.00 C ATOM 1203 CG GLN A 84 12.399 -7.204 8.177 1.00 0.00 C ATOM 1204 CD GLN A 84 11.707 -7.731 9.419 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.892 -7.205 10.517 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.904 -8.775 9.252 1.00 0.00 N ATOM 0 H GLN A 84 16.094 -5.645 8.262 1.00 0.00 H new ATOM 0 HA GLN A 84 13.769 -5.735 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.513 -7.352 8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.726 -6.153 9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.759 -6.466 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.535 -8.020 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.780 -9.180 8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.411 -9.172 10.052 1.00 0.00 H new ATOM 1215 N SER A 85 12.606 -3.647 7.111 1.00 0.00 N ATOM 1216 CA SER A 85 11.946 -2.379 7.400 1.00 0.00 C ATOM 1217 C SER A 85 10.647 -2.251 6.611 1.00 0.00 C ATOM 1218 O SER A 85 10.652 -2.267 5.380 1.00 0.00 O ATOM 1219 CB SER A 85 12.876 -1.210 7.068 1.00 0.00 C ATOM 1220 OG SER A 85 14.172 -1.422 7.600 1.00 0.00 O ATOM 0 H SER A 85 12.290 -4.101 6.254 1.00 0.00 H new ATOM 0 HA SER A 85 11.708 -2.354 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.939 -1.087 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.461 -0.286 7.470 1.00 0.00 H new ATOM 0 HG SER A 85 14.108 -1.971 8.409 1.00 0.00 H new ATOM 1226 N GLN A 86 9.536 -2.123 7.329 1.00 0.00 N ATOM 1227 CA GLN A 86 8.229 -1.993 6.697 1.00 0.00 C ATOM 1228 C GLN A 86 7.458 -0.812 7.279 1.00 0.00 C ATOM 1229 O GLN A 86 7.783 -0.317 8.358 1.00 0.00 O ATOM 1230 CB GLN A 86 7.422 -3.280 6.875 1.00 0.00 C ATOM 1231 CG GLN A 86 6.981 -3.529 8.308 1.00 0.00 C ATOM 1232 CD GLN A 86 6.791 -5.002 8.612 1.00 0.00 C ATOM 1233 OE1 GLN A 86 6.134 -5.723 7.862 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.367 -5.457 9.719 1.00 0.00 N ATOM 0 H GLN A 86 9.515 -2.107 8.349 1.00 0.00 H new ATOM 0 HA GLN A 86 8.385 -1.814 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.541 -3.238 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.022 -4.125 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.723 -3.114 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.046 -3.000 8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.903 -4.824 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.273 -6.440 9.976 1.00 0.00 H new ATOM 1243 N SER A 87 6.436 -0.365 6.556 1.00 0.00 N ATOM 1244 CA SER A 87 5.622 0.761 6.998 1.00 0.00 C ATOM 1245 C SER A 87 4.150 0.529 6.670 1.00 0.00 C ATOM 1246 O SER A 87 3.814 0.023 5.599 1.00 0.00 O ATOM 1247 CB SER A 87 6.104 2.056 6.342 1.00 0.00 C ATOM 1248 OG SER A 87 7.155 2.645 7.088 1.00 0.00 O ATOM 0 H SER A 87 6.152 -0.765 5.662 1.00 0.00 H new ATOM 0 HA SER A 87 5.726 0.850 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.446 1.848 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.274 2.757 6.261 1.00 0.00 H new ATOM 0 HG SER A 87 7.447 3.470 6.647 1.00 0.00 H new ATOM 1254 N SER A 88 3.276 0.902 7.600 1.00 0.00 N ATOM 1255 CA SER A 88 1.840 0.732 7.412 1.00 0.00 C ATOM 1256 C SER A 88 1.186 2.048 7.002 1.00 0.00 C ATOM 1257 O SER A 88 1.665 3.127 7.349 1.00 0.00 O ATOM 1258 CB SER A 88 1.196 0.207 8.696 1.00 0.00 C ATOM 1259 OG SER A 88 1.699 0.886 9.834 1.00 0.00 O ATOM 0 H SER A 88 3.538 1.324 8.491 1.00 0.00 H new ATOM 0 HA SER A 88 1.686 0.006 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.115 0.333 8.642 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.388 -0.862 8.792 1.00 0.00 H new ATOM 0 HG SER A 88 1.270 0.533 10.642 1.00 0.00 H new ATOM 1265 N VAL A 89 0.088 1.949 6.260 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.634 3.130 5.802 1.00 0.00 C ATOM 1267 C VAL A 89 -2.119 3.028 6.130 1.00 0.00 C ATOM 1268 O VAL A 89 -2.699 1.943 6.098 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.467 3.337 4.285 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -1.043 2.156 3.518 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.125 4.638 3.849 1.00 0.00 C ATOM 0 H VAL A 89 -0.321 1.063 5.963 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.207 3.985 6.327 1.00 0.00 H new ATOM 0 HB VAL A 89 0.598 3.401 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.916 2.320 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.522 1.244 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.104 2.057 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.997 4.768 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.188 4.605 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.661 5.474 4.373 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.730 4.166 6.444 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.149 4.204 6.778 1.00 0.00 C ATOM 1283 C ASN A 90 -4.994 4.455 5.533 1.00 0.00 C ATOM 1284 O ASN A 90 -4.951 5.537 4.948 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.420 5.292 7.820 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.056 4.851 9.224 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.626 3.897 9.754 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.103 5.545 9.834 1.00 0.00 N ATOM 0 H ASN A 90 -2.265 5.073 6.474 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.425 3.235 7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.851 6.186 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.475 5.565 7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.816 5.295 10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.658 6.329 9.356 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.764 3.447 5.133 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.621 3.559 3.959 1.00 0.00 C ATOM 1297 C VAL A 91 -8.094 3.546 4.351 1.00 0.00 C ATOM 1298 O VAL A 91 -8.621 2.522 4.788 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.356 2.416 2.961 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.228 2.574 1.725 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.883 2.370 2.582 1.00 0.00 C ATOM 0 H VAL A 91 -5.811 2.544 5.605 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.384 4.510 3.482 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.614 1.472 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.027 1.758 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.278 2.553 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.004 3.525 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.714 1.557 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.596 3.315 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.282 2.205 3.476 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.753 4.688 4.190 1.00 0.00 N ATOM 1312 CA ILE A 92 -10.167 4.807 4.525 1.00 0.00 C ATOM 1313 C ILE A 92 -11.013 5.013 3.273 1.00 0.00 C ATOM 1314 O ILE A 92 -10.590 5.677 2.327 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.418 5.974 5.498 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.674 5.738 6.814 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.909 6.143 5.749 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.264 6.287 6.818 1.00 0.00 C ATOM 0 H ILE A 92 -8.331 5.544 3.830 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.457 3.873 5.007 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.039 6.891 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.236 6.197 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.639 4.667 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -12.070 6.972 6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.415 6.351 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.311 5.227 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.797 6.084 7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.686 5.810 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.292 7.363 6.648 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.213 4.440 3.276 1.00 0.00 N ATOM 1331 CA VAL A 93 -13.121 4.562 2.142 1.00 0.00 C ATOM 1332 C VAL A 93 -14.462 5.145 2.573 1.00 0.00 C ATOM 1333 O VAL A 93 -15.043 4.722 3.573 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.359 3.200 1.464 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.433 3.316 0.394 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -12.063 2.665 0.874 1.00 0.00 C ATOM 0 H VAL A 93 -12.578 3.887 4.051 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.648 5.236 1.428 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.707 2.494 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.587 2.344 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.365 3.652 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.118 4.036 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.250 1.702 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.683 3.368 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.326 2.541 1.667 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.950 6.118 1.811 1.00 0.00 N ATOM 1347 CA LYS A 94 -16.225 6.759 2.111 1.00 0.00 C ATOM 1348 C LYS A 94 -17.230 6.525 0.988 1.00 0.00 C ATOM 1349 O LYS A 94 -16.897 5.940 -0.043 1.00 0.00 O ATOM 1350 CB LYS A 94 -16.026 8.261 2.327 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.710 8.632 3.766 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.256 8.351 4.107 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.370 9.548 3.799 1.00 0.00 C ATOM 1354 NZ LYS A 94 -13.667 10.702 4.693 1.00 0.00 N ATOM 0 H LYS A 94 -14.481 6.480 0.981 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.619 6.316 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.216 8.608 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.928 8.787 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.925 9.689 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.358 8.070 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.172 8.097 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.909 7.486 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.324 9.263 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.512 9.847 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.857 11.354 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.511 11.201 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.840 10.357 5.659 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.459 6.987 1.193 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.511 6.827 0.196 1.00 0.00 C ATOM 1370 C GLU A 95 -19.574 8.041 -0.727 1.00 0.00 C ATOM 1371 O GLU A 95 -18.864 9.025 -0.524 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.865 6.622 0.879 1.00 0.00 C ATOM 1373 CG GLU A 95 -21.091 5.201 1.367 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.495 4.982 1.896 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.908 5.728 2.808 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -23.181 4.064 1.398 1.00 0.00 O ATOM 0 H GLU A 95 -18.751 7.475 2.040 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.278 5.947 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.943 7.305 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.659 6.888 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.902 4.506 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.371 4.972 2.153 1.00 0.00 H new