USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot -171:sc= 1.22 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -165:sc= 0.596 (180deg=-0.533!) USER MOD Set 2.1: A 44 CYS SG : rot -65:sc= -0.333 USER MOD Set 2.2: A 69 MET CE :methyl -152:sc= -3.09! (180deg=-2.66) USER MOD Set 3.1: A 42 THR OG1 : rot 170:sc= -1.72! USER MOD Set 3.2: A 62 LYS NZ :NH3+ -119:sc= -0.0258 (180deg=-0.277) USER MOD Single : A 11 SER OG : rot -89:sc= 1.1 USER MOD Single : A 12 GLN : amide:sc= 0.0696 K(o=0.07,f=-8.4!) USER MOD Single : A 14 HIS : no HD1:sc= -0.649! C(o=-0.65!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 0.819 (180deg=0.186) USER MOD Single : A 21 ASN : amide:sc= 0.831 K(o=0.83,f=-0.53) USER MOD Single : A 22 MET CE :methyl 138:sc= -1.1 (180deg=-3.27!) USER MOD Single : A 23 THR OG1 : rot -171:sc= 0.757 USER MOD Single : A 25 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.788! (180deg=-1.28!) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00491 USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0698) USER MOD Single : A 74 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.191 13.480 3.860 1.00 0.00 N ATOM 122 CA PRO A 9 -17.345 14.783 4.548 1.00 0.00 C ATOM 123 C PRO A 9 -17.771 14.628 6.024 1.00 0.00 C ATOM 124 O PRO A 9 -17.021 14.974 6.931 1.00 0.00 O ATOM 125 CB PRO A 9 -18.435 15.488 3.734 1.00 0.00 C ATOM 126 CG PRO A 9 -19.232 14.379 3.007 1.00 0.00 C ATOM 127 CD PRO A 9 -18.323 13.134 2.969 1.00 0.00 C ATOM 0 HA PRO A 9 -16.406 15.335 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.087 16.071 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.996 16.182 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.162 14.163 3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.501 14.693 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.849 12.246 3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.981 12.922 1.956 1.00 0.00 H new ATOM 135 N ILE A 10 -18.966 14.152 6.292 1.00 0.00 N ATOM 136 CA ILE A 10 -19.415 14.035 7.723 1.00 0.00 C ATOM 137 C ILE A 10 -19.685 12.573 8.120 1.00 0.00 C ATOM 138 O ILE A 10 -18.872 11.956 8.801 1.00 0.00 O ATOM 139 CB ILE A 10 -20.685 14.876 7.928 1.00 0.00 C ATOM 140 CG1 ILE A 10 -20.419 16.325 7.499 1.00 0.00 C ATOM 141 CG2 ILE A 10 -21.084 14.856 9.407 1.00 0.00 C ATOM 142 CD1 ILE A 10 -19.351 16.947 8.403 1.00 0.00 C ATOM 0 H ILE A 10 -19.643 13.843 5.594 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.613 14.406 8.361 1.00 0.00 H new ATOM 0 HB ILE A 10 -21.491 14.457 7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.089 16.352 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -21.340 16.906 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -21.985 15.453 9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -21.277 13.829 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -20.275 15.271 10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.166 17.976 8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.697 16.936 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.428 16.373 8.323 1.00 0.00 H new ATOM 154 N SER A 11 -20.814 12.020 7.735 1.00 0.00 N ATOM 155 CA SER A 11 -21.153 10.601 8.116 1.00 0.00 C ATOM 156 C SER A 11 -19.905 9.706 8.093 1.00 0.00 C ATOM 157 O SER A 11 -19.474 9.205 9.126 1.00 0.00 O ATOM 158 CB SER A 11 -22.196 10.038 7.148 1.00 0.00 C ATOM 159 OG SER A 11 -23.037 9.135 7.853 1.00 0.00 O ATOM 0 H SER A 11 -21.521 12.491 7.170 1.00 0.00 H new ATOM 0 HA SER A 11 -21.554 10.612 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.787 10.847 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.705 9.527 6.320 1.00 0.00 H new ATOM 0 HG SER A 11 -22.654 8.234 7.815 1.00 0.00 H new ATOM 165 N GLN A 12 -19.317 9.504 6.941 1.00 0.00 N ATOM 166 CA GLN A 12 -18.095 8.637 6.848 1.00 0.00 C ATOM 167 C GLN A 12 -17.060 9.043 7.912 1.00 0.00 C ATOM 168 O GLN A 12 -16.424 8.193 8.534 1.00 0.00 O ATOM 169 CB GLN A 12 -17.491 8.769 5.447 1.00 0.00 C ATOM 170 CG GLN A 12 -18.481 8.209 4.415 1.00 0.00 C ATOM 171 CD GLN A 12 -19.209 9.357 3.711 1.00 0.00 C ATOM 172 OE1 GLN A 12 -19.554 10.361 4.332 1.00 0.00 O ATOM 173 NE2 GLN A 12 -19.463 9.268 2.443 1.00 0.00 N ATOM 0 H GLN A 12 -19.629 9.902 6.055 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.378 7.600 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.273 9.814 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.546 8.228 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.950 7.601 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.203 7.557 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.179 8.438 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.947 10.028 1.965 1.00 0.00 H new ATOM 182 N VAL A 13 -16.892 10.320 8.154 1.00 0.00 N ATOM 183 CA VAL A 13 -15.917 10.760 9.202 1.00 0.00 C ATOM 184 C VAL A 13 -16.402 10.244 10.564 1.00 0.00 C ATOM 185 O VAL A 13 -15.636 9.670 11.339 1.00 0.00 O ATOM 186 CB VAL A 13 -15.836 12.295 9.224 1.00 0.00 C ATOM 187 CG1 VAL A 13 -15.139 12.766 10.503 1.00 0.00 C ATOM 188 CG2 VAL A 13 -15.031 12.783 8.021 1.00 0.00 C ATOM 0 H VAL A 13 -17.385 11.074 7.675 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.927 10.361 8.983 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.848 12.699 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.087 13.855 10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.703 12.425 11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.131 12.354 10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.975 13.871 8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.024 12.367 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.519 12.459 7.101 1.00 0.00 H new ATOM 198 N HIS A 14 -17.666 10.415 10.852 1.00 0.00 N ATOM 199 CA HIS A 14 -18.226 9.916 12.139 1.00 0.00 C ATOM 200 C HIS A 14 -18.054 8.392 12.187 1.00 0.00 C ATOM 201 O HIS A 14 -17.525 7.840 13.154 1.00 0.00 O ATOM 202 CB HIS A 14 -19.712 10.285 12.207 1.00 0.00 C ATOM 203 CG HIS A 14 -19.857 11.768 12.411 1.00 0.00 C ATOM 204 ND1 HIS A 14 -20.600 12.302 13.447 1.00 0.00 N ATOM 205 CD2 HIS A 14 -19.360 12.841 11.716 1.00 0.00 C ATOM 206 CE1 HIS A 14 -20.529 13.643 13.348 1.00 0.00 C ATOM 207 NE2 HIS A 14 -19.786 14.022 12.309 1.00 0.00 N ATOM 0 H HIS A 14 -18.338 10.883 10.244 1.00 0.00 H new ATOM 0 HA HIS A 14 -17.708 10.365 12.987 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -20.214 9.984 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -20.193 9.747 13.024 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -18.732 12.777 10.840 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -21.015 14.328 14.028 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -19.575 14.975 12.013 1.00 0.00 H new ATOM 215 N GLU A 15 -18.466 7.710 11.145 1.00 0.00 N ATOM 216 CA GLU A 15 -18.313 6.224 11.087 1.00 0.00 C ATOM 217 C GLU A 15 -16.851 5.855 11.382 1.00 0.00 C ATOM 218 O GLU A 15 -16.566 4.997 12.219 1.00 0.00 O ATOM 219 CB GLU A 15 -18.700 5.738 9.684 1.00 0.00 C ATOM 220 CG GLU A 15 -20.228 5.812 9.510 1.00 0.00 C ATOM 221 CD GLU A 15 -20.590 6.364 8.124 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.964 5.964 7.155 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.498 7.173 8.055 1.00 0.00 O ATOM 0 H GLU A 15 -18.906 8.126 10.324 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.959 5.751 11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.209 6.351 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.357 4.714 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.662 4.820 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.657 6.449 10.284 1.00 0.00 H new ATOM 230 N ILE A 16 -15.917 6.503 10.728 1.00 0.00 N ATOM 231 CA ILE A 16 -14.470 6.211 10.986 1.00 0.00 C ATOM 232 C ILE A 16 -14.137 6.561 12.444 1.00 0.00 C ATOM 233 O ILE A 16 -13.373 5.864 13.114 1.00 0.00 O ATOM 234 CB ILE A 16 -13.606 7.057 10.037 1.00 0.00 C ATOM 235 CG1 ILE A 16 -13.716 6.505 8.613 1.00 0.00 C ATOM 236 CG2 ILE A 16 -12.140 7.012 10.478 1.00 0.00 C ATOM 237 CD1 ILE A 16 -13.353 5.019 8.608 1.00 0.00 C ATOM 0 H ILE A 16 -16.094 7.222 10.026 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.267 5.154 10.813 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.960 8.087 10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -14.729 6.643 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.051 7.054 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.537 7.615 9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.052 7.408 11.490 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.786 5.981 10.460 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.432 4.629 7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.332 4.893 8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -14.036 4.475 9.260 1.00 0.00 H new ATOM 249 N GLY A 17 -14.700 7.632 12.941 1.00 0.00 N ATOM 250 CA GLY A 17 -14.438 8.057 14.352 1.00 0.00 C ATOM 251 C GLY A 17 -14.811 6.933 15.327 1.00 0.00 C ATOM 252 O GLY A 17 -14.005 6.541 16.169 1.00 0.00 O ATOM 0 H GLY A 17 -15.338 8.238 12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.386 8.316 14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.015 8.953 14.582 1.00 0.00 H new ATOM 256 N ILE A 18 -16.004 6.398 15.227 1.00 0.00 N ATOM 257 CA ILE A 18 -16.420 5.302 16.137 1.00 0.00 C ATOM 258 C ILE A 18 -15.721 4.002 15.716 1.00 0.00 C ATOM 259 O ILE A 18 -15.288 3.213 16.555 1.00 0.00 O ATOM 260 CB ILE A 18 -17.952 5.130 16.070 1.00 0.00 C ATOM 261 CG1 ILE A 18 -18.296 3.704 16.417 1.00 0.00 C ATOM 262 CG2 ILE A 18 -18.474 5.396 14.655 1.00 0.00 C ATOM 263 CD1 ILE A 18 -19.750 3.617 16.882 1.00 0.00 C ATOM 0 H ILE A 18 -16.708 6.681 14.546 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.137 5.544 17.161 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.405 5.837 16.765 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.144 3.063 15.549 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -17.632 3.341 17.202 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -19.556 5.268 14.636 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.224 6.415 14.361 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.014 4.694 13.959 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.991 2.584 17.131 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.889 4.244 17.763 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -20.408 3.961 16.084 1.00 0.00 H new ATOM 275 N LYS A 19 -15.601 3.758 14.435 1.00 0.00 N ATOM 276 CA LYS A 19 -14.931 2.506 13.976 1.00 0.00 C ATOM 277 C LYS A 19 -13.488 2.454 14.500 1.00 0.00 C ATOM 278 O LYS A 19 -12.934 1.369 14.702 1.00 0.00 O ATOM 279 CB LYS A 19 -14.919 2.450 12.444 1.00 0.00 C ATOM 280 CG LYS A 19 -15.966 1.440 11.946 1.00 0.00 C ATOM 281 CD LYS A 19 -15.807 0.086 12.665 1.00 0.00 C ATOM 282 CE LYS A 19 -14.358 -0.411 12.572 1.00 0.00 C ATOM 283 NZ LYS A 19 -13.869 -0.765 13.939 1.00 0.00 N ATOM 0 H LYS A 19 -15.937 4.370 13.691 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.485 1.652 14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.131 3.438 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.929 2.164 12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.968 1.833 12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.860 1.300 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.095 0.188 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.478 -0.649 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.301 -1.280 11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.724 0.360 12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.128 -1.491 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.479 0.083 14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.659 -1.133 14.506 1.00 0.00 H new ATOM 297 N ARG A 20 -12.871 3.587 14.717 1.00 0.00 N ATOM 298 CA ARG A 20 -11.467 3.596 15.226 1.00 0.00 C ATOM 299 C ARG A 20 -11.454 3.985 16.714 1.00 0.00 C ATOM 300 O ARG A 20 -11.023 3.203 17.554 1.00 0.00 O ATOM 301 CB ARG A 20 -10.643 4.602 14.410 1.00 0.00 C ATOM 302 CG ARG A 20 -9.211 4.667 14.955 1.00 0.00 C ATOM 303 CD ARG A 20 -8.243 4.047 13.944 1.00 0.00 C ATOM 304 NE ARG A 20 -7.451 5.135 13.291 1.00 0.00 N ATOM 305 CZ ARG A 20 -7.472 5.278 12.008 1.00 0.00 C ATOM 306 NH1 ARG A 20 -8.427 5.943 11.454 1.00 0.00 N ATOM 307 NH2 ARG A 20 -6.541 4.755 11.289 1.00 0.00 N ATOM 0 H ARG A 20 -13.280 4.509 14.563 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.032 2.602 15.121 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.629 4.308 13.361 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.105 5.588 14.458 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.933 5.703 15.150 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.149 4.136 15.905 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.576 3.345 14.444 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.795 3.482 13.193 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.891 5.768 13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.163 6.354 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.447 6.058 10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.789 4.229 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.556 4.867 10.275 1.00 0.00 H new ATOM 321 N ASN A 21 -11.933 5.170 17.040 1.00 0.00 N ATOM 322 CA ASN A 21 -11.978 5.653 18.477 1.00 0.00 C ATOM 323 C ASN A 21 -11.974 7.204 18.549 1.00 0.00 C ATOM 324 O ASN A 21 -12.020 7.779 19.635 1.00 0.00 O ATOM 325 CB ASN A 21 -10.762 5.131 19.266 1.00 0.00 C ATOM 326 CG ASN A 21 -11.230 4.159 20.349 1.00 0.00 C ATOM 327 OD1 ASN A 21 -11.068 4.418 21.534 1.00 0.00 O ATOM 328 ND2 ASN A 21 -11.798 3.043 20.008 1.00 0.00 N ATOM 0 H ASN A 21 -12.302 5.838 16.363 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.900 5.269 18.914 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.066 4.632 18.592 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.225 5.964 19.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.107 2.388 20.726 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.936 2.821 19.022 1.00 0.00 H new ATOM 335 N MET A 22 -11.906 7.895 17.435 1.00 0.00 N ATOM 336 CA MET A 22 -11.886 9.393 17.476 1.00 0.00 C ATOM 337 C MET A 22 -13.275 9.945 17.851 1.00 0.00 C ATOM 338 O MET A 22 -14.305 9.366 17.521 1.00 0.00 O ATOM 339 CB MET A 22 -11.468 9.926 16.102 1.00 0.00 C ATOM 340 CG MET A 22 -9.940 10.023 16.034 1.00 0.00 C ATOM 341 SD MET A 22 -9.415 10.053 14.303 1.00 0.00 S ATOM 342 CE MET A 22 -8.353 11.515 14.413 1.00 0.00 C ATOM 0 H MET A 22 -11.864 7.487 16.501 1.00 0.00 H new ATOM 0 HA MET A 22 -11.173 9.719 18.233 1.00 0.00 H new ATOM 0 HB2 MET A 22 -11.836 9.266 15.317 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.913 10.906 15.930 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.599 10.924 16.544 1.00 0.00 H new ATOM 0 HG3 MET A 22 -9.488 9.175 16.548 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.437 11.342 13.848 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.877 12.377 14.000 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.105 11.707 15.457 1.00 0.00 H new ATOM 352 N THR A 23 -13.307 11.058 18.540 1.00 0.00 N ATOM 353 CA THR A 23 -14.613 11.672 18.960 1.00 0.00 C ATOM 354 C THR A 23 -15.412 12.145 17.742 1.00 0.00 C ATOM 355 O THR A 23 -16.549 11.736 17.533 1.00 0.00 O ATOM 356 CB THR A 23 -14.338 12.879 19.864 1.00 0.00 C ATOM 357 OG1 THR A 23 -13.464 13.780 19.195 1.00 0.00 O ATOM 358 CG2 THR A 23 -13.686 12.419 21.166 1.00 0.00 C ATOM 0 H THR A 23 -12.479 11.575 18.834 1.00 0.00 H new ATOM 0 HA THR A 23 -15.191 10.917 19.492 1.00 0.00 H new ATOM 0 HB THR A 23 -15.281 13.377 20.091 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.174 14.478 19.819 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.494 13.283 21.802 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.353 11.729 21.683 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.745 11.916 20.944 1.00 0.00 H new ATOM 366 N VAL A 24 -14.837 13.016 16.953 1.00 0.00 N ATOM 367 CA VAL A 24 -15.544 13.557 15.742 1.00 0.00 C ATOM 368 C VAL A 24 -16.752 14.407 16.179 1.00 0.00 C ATOM 369 O VAL A 24 -17.877 13.921 16.308 1.00 0.00 O ATOM 370 CB VAL A 24 -16.007 12.401 14.841 1.00 0.00 C ATOM 371 CG1 VAL A 24 -16.673 12.964 13.587 1.00 0.00 C ATOM 372 CG2 VAL A 24 -14.801 11.559 14.424 1.00 0.00 C ATOM 0 H VAL A 24 -13.896 13.383 17.094 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.854 14.185 15.178 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.716 11.783 15.391 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.001 12.143 12.949 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.534 13.568 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -15.960 13.583 13.043 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.132 10.740 13.785 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.094 12.182 13.877 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.316 11.153 15.312 1.00 0.00 H new ATOM 382 N HIS A 25 -16.538 15.674 16.418 1.00 0.00 N ATOM 383 CA HIS A 25 -17.664 16.560 16.853 1.00 0.00 C ATOM 384 C HIS A 25 -17.739 17.792 15.934 1.00 0.00 C ATOM 385 O HIS A 25 -16.765 18.528 15.775 1.00 0.00 O ATOM 386 CB HIS A 25 -17.428 17.012 18.302 1.00 0.00 C ATOM 387 CG HIS A 25 -17.328 15.818 19.218 1.00 0.00 C ATOM 388 ND1 HIS A 25 -17.873 14.582 18.900 1.00 0.00 N ATOM 389 CD2 HIS A 25 -16.763 15.666 20.459 1.00 0.00 C ATOM 390 CE1 HIS A 25 -17.630 13.754 19.933 1.00 0.00 C ATOM 391 NE2 HIS A 25 -16.957 14.365 20.909 1.00 0.00 N ATOM 0 H HIS A 25 -15.633 16.136 16.331 1.00 0.00 H new ATOM 0 HA HIS A 25 -18.602 16.009 16.792 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -16.513 17.601 18.361 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.244 17.658 18.625 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -18.368 14.344 18.040 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.245 16.441 21.005 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.942 12.721 19.967 1.00 0.00 H new ATOM 399 N PHE A 26 -18.877 18.027 15.327 1.00 0.00 N ATOM 400 CA PHE A 26 -19.023 19.207 14.413 1.00 0.00 C ATOM 401 C PHE A 26 -20.003 20.224 15.019 1.00 0.00 C ATOM 402 O PHE A 26 -21.092 19.869 15.467 1.00 0.00 O ATOM 403 CB PHE A 26 -19.565 18.735 13.059 1.00 0.00 C ATOM 404 CG PHE A 26 -18.486 17.996 12.308 1.00 0.00 C ATOM 405 CD1 PHE A 26 -17.566 18.703 11.528 1.00 0.00 C ATOM 406 CD2 PHE A 26 -18.408 16.603 12.390 1.00 0.00 C ATOM 407 CE1 PHE A 26 -16.567 18.016 10.830 1.00 0.00 C ATOM 408 CE2 PHE A 26 -17.410 15.915 11.692 1.00 0.00 C ATOM 409 CZ PHE A 26 -16.489 16.621 10.912 1.00 0.00 C ATOM 0 H PHE A 26 -19.714 17.452 15.424 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.049 19.679 14.282 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -20.427 18.085 13.208 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.907 19.590 12.476 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.627 19.779 11.464 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.119 16.057 12.993 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.856 18.562 10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.351 14.838 11.756 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.718 16.090 10.373 1.00 0.00 H new ATOM 419 N LYS A 27 -19.642 21.482 15.038 1.00 0.00 N ATOM 420 CA LYS A 27 -20.558 22.516 15.612 1.00 0.00 C ATOM 421 C LYS A 27 -20.362 23.861 14.887 1.00 0.00 C ATOM 422 O LYS A 27 -19.257 24.398 14.819 1.00 0.00 O ATOM 423 CB LYS A 27 -20.253 22.680 17.103 1.00 0.00 C ATOM 424 CG LYS A 27 -21.480 23.250 17.818 1.00 0.00 C ATOM 425 CD LYS A 27 -21.027 24.152 18.972 1.00 0.00 C ATOM 426 CE LYS A 27 -22.055 25.265 19.197 1.00 0.00 C ATOM 427 NZ LYS A 27 -21.940 26.278 18.103 1.00 0.00 N ATOM 0 H LYS A 27 -18.755 21.838 14.682 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.592 22.198 15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -19.981 21.718 17.537 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -19.399 23.344 17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.091 23.818 17.117 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.101 22.439 18.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -20.911 23.563 19.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -20.053 24.585 18.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.061 24.847 19.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -21.888 25.738 20.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -22.847 26.774 17.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -21.196 26.965 18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -21.696 25.800 17.212 1.00 0.00 H new ATOM 441 N VAL A 28 -21.414 24.421 14.345 1.00 0.00 N ATOM 442 CA VAL A 28 -21.280 25.732 13.626 1.00 0.00 C ATOM 443 C VAL A 28 -21.134 26.886 14.635 1.00 0.00 C ATOM 444 O VAL A 28 -21.594 26.802 15.776 1.00 0.00 O ATOM 445 CB VAL A 28 -22.513 25.960 12.735 1.00 0.00 C ATOM 446 CG1 VAL A 28 -23.671 26.522 13.564 1.00 0.00 C ATOM 447 CG2 VAL A 28 -22.162 26.957 11.627 1.00 0.00 C ATOM 0 H VAL A 28 -22.357 24.032 14.367 1.00 0.00 H new ATOM 0 HA VAL A 28 -20.386 25.705 13.003 1.00 0.00 H new ATOM 0 HB VAL A 28 -22.814 25.007 12.300 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -24.537 26.678 12.921 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.929 25.817 14.354 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.373 27.472 14.008 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -23.035 27.120 10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -21.855 27.903 12.073 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -21.346 26.559 11.024 1.00 0.00 H new ATOM 457 N LEU A 29 -20.504 27.962 14.236 1.00 0.00 N ATOM 458 CA LEU A 29 -20.325 29.130 15.162 1.00 0.00 C ATOM 459 C LEU A 29 -21.118 30.338 14.637 1.00 0.00 C ATOM 460 O LEU A 29 -21.665 31.128 15.412 1.00 0.00 O ATOM 461 CB LEU A 29 -18.835 29.509 15.264 1.00 0.00 C ATOM 462 CG LEU A 29 -17.946 28.281 15.035 1.00 0.00 C ATOM 463 CD1 LEU A 29 -16.500 28.731 14.835 1.00 0.00 C ATOM 464 CD2 LEU A 29 -18.016 27.361 16.253 1.00 0.00 C ATOM 0 H LEU A 29 -20.103 28.085 13.306 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.692 28.849 16.149 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.599 30.277 14.528 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.629 29.935 16.246 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.294 27.746 14.151 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.867 27.859 14.672 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.440 29.390 13.969 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.160 29.266 15.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -17.383 26.489 16.087 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.669 27.899 17.135 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -19.046 27.038 16.406 1.00 0.00 H new ATOM 476 N ARG A 30 -21.190 30.494 13.339 1.00 0.00 N ATOM 477 CA ARG A 30 -21.944 31.642 12.744 1.00 0.00 C ATOM 478 C ARG A 30 -22.688 31.169 11.485 1.00 0.00 C ATOM 479 O ARG A 30 -22.084 30.631 10.555 1.00 0.00 O ATOM 480 CB ARG A 30 -20.965 32.762 12.361 1.00 0.00 C ATOM 481 CG ARG A 30 -20.376 33.403 13.621 1.00 0.00 C ATOM 482 CD ARG A 30 -21.179 34.655 13.980 1.00 0.00 C ATOM 483 NE ARG A 30 -21.227 34.796 15.467 1.00 0.00 N ATOM 484 CZ ARG A 30 -22.303 34.503 16.116 1.00 0.00 C ATOM 485 NH1 ARG A 30 -22.535 33.282 16.454 1.00 0.00 N ATOM 486 NH2 ARG A 30 -23.150 35.429 16.406 1.00 0.00 N ATOM 0 H ARG A 30 -20.755 29.870 12.659 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.660 32.018 13.475 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.164 32.359 11.741 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -21.479 33.517 11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -20.400 32.693 14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -19.331 33.664 13.455 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -20.720 35.537 13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -22.189 34.582 13.576 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.404 35.126 15.972 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -21.869 32.550 16.209 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -23.385 33.048 16.967 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.970 36.392 16.123 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -24.001 35.199 16.919 1.00 0.00 H new ATOM 631 N PHE A 40 -20.359 31.472 6.524 1.00 0.00 N ATOM 632 CA PHE A 40 -20.776 30.377 7.452 1.00 0.00 C ATOM 633 C PHE A 40 -19.532 29.757 8.102 1.00 0.00 C ATOM 634 O PHE A 40 -18.742 29.077 7.446 1.00 0.00 O ATOM 635 CB PHE A 40 -21.520 29.296 6.661 1.00 0.00 C ATOM 636 CG PHE A 40 -22.886 29.796 6.264 1.00 0.00 C ATOM 637 CD1 PHE A 40 -23.903 29.870 7.217 1.00 0.00 C ATOM 638 CD2 PHE A 40 -23.135 30.179 4.944 1.00 0.00 C ATOM 639 CE1 PHE A 40 -25.174 30.329 6.852 1.00 0.00 C ATOM 640 CE2 PHE A 40 -24.405 30.637 4.575 1.00 0.00 C ATOM 641 CZ PHE A 40 -25.426 30.714 5.532 1.00 0.00 C ATOM 0 HA PHE A 40 -21.429 30.785 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.950 29.027 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -21.615 28.393 7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.709 29.573 8.237 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -22.347 30.122 4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -25.960 30.386 7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -24.598 30.931 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 40 -26.406 31.070 5.250 1.00 0.00 H new ATOM 651 N ILE A 41 -19.329 29.963 9.375 1.00 0.00 N ATOM 652 CA ILE A 41 -18.124 29.364 10.029 1.00 0.00 C ATOM 653 C ILE A 41 -18.535 28.183 10.924 1.00 0.00 C ATOM 654 O ILE A 41 -19.342 28.318 11.850 1.00 0.00 O ATOM 655 CB ILE A 41 -17.377 30.427 10.848 1.00 0.00 C ATOM 656 CG1 ILE A 41 -16.056 29.838 11.350 1.00 0.00 C ATOM 657 CG2 ILE A 41 -18.219 30.868 12.046 1.00 0.00 C ATOM 658 CD1 ILE A 41 -15.173 30.955 11.906 1.00 0.00 C ATOM 0 H ILE A 41 -19.934 30.512 9.986 1.00 0.00 H new ATOM 0 HA ILE A 41 -17.454 28.993 9.254 1.00 0.00 H new ATOM 0 HB ILE A 41 -17.186 31.292 10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.249 29.094 12.123 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.542 29.326 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -17.675 31.621 12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -19.160 31.289 11.694 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -18.423 30.008 12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.234 30.533 12.263 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -14.969 31.683 11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.686 31.447 12.732 1.00 0.00 H new ATOM 670 N THR A 42 -17.994 27.024 10.655 1.00 0.00 N ATOM 671 CA THR A 42 -18.335 25.816 11.469 1.00 0.00 C ATOM 672 C THR A 42 -17.057 25.235 12.083 1.00 0.00 C ATOM 673 O THR A 42 -16.078 24.989 11.384 1.00 0.00 O ATOM 674 CB THR A 42 -18.990 24.756 10.570 1.00 0.00 C ATOM 675 OG1 THR A 42 -20.072 25.336 9.850 1.00 0.00 O ATOM 676 CG2 THR A 42 -19.519 23.609 11.429 1.00 0.00 C ATOM 0 H THR A 42 -17.326 26.860 9.902 1.00 0.00 H new ATOM 0 HA THR A 42 -19.027 26.101 12.262 1.00 0.00 H new ATOM 0 HB THR A 42 -18.246 24.377 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 42 -20.382 24.708 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 42 -19.983 22.859 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.694 23.156 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 42 -20.258 23.992 12.133 1.00 0.00 H new ATOM 684 N ALA A 43 -17.046 25.006 13.370 1.00 0.00 N ATOM 685 CA ALA A 43 -15.830 24.435 14.025 1.00 0.00 C ATOM 686 C ALA A 43 -16.029 22.930 14.269 1.00 0.00 C ATOM 687 O ALA A 43 -17.151 22.458 14.471 1.00 0.00 O ATOM 688 CB ALA A 43 -15.597 25.148 15.359 1.00 0.00 C ATOM 0 H ALA A 43 -17.828 25.190 13.998 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.965 24.578 13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.711 24.736 15.842 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -15.451 26.213 15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -16.463 25.003 16.005 1.00 0.00 H new ATOM 694 N CYS A 44 -14.969 22.167 14.255 1.00 0.00 N ATOM 695 CA CYS A 44 -15.104 20.696 14.489 1.00 0.00 C ATOM 696 C CYS A 44 -13.862 20.157 15.218 1.00 0.00 C ATOM 697 O CYS A 44 -12.737 20.606 14.990 1.00 0.00 O ATOM 698 CB CYS A 44 -15.278 19.977 13.146 1.00 0.00 C ATOM 699 SG CYS A 44 -13.726 20.015 12.215 1.00 0.00 S ATOM 0 H CYS A 44 -14.017 22.495 14.092 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.979 20.513 15.112 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.585 18.945 13.314 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.069 20.455 12.569 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.434 21.244 11.908 1.00 0.00 H new ATOM 705 N ILE A 45 -14.049 19.202 16.093 1.00 0.00 N ATOM 706 CA ILE A 45 -12.890 18.625 16.847 1.00 0.00 C ATOM 707 C ILE A 45 -12.898 17.092 16.736 1.00 0.00 C ATOM 708 O ILE A 45 -13.953 16.456 16.712 1.00 0.00 O ATOM 709 CB ILE A 45 -12.978 19.048 18.324 1.00 0.00 C ATOM 710 CG1 ILE A 45 -11.647 18.755 19.021 1.00 0.00 C ATOM 711 CG2 ILE A 45 -14.095 18.275 19.033 1.00 0.00 C ATOM 712 CD1 ILE A 45 -11.670 19.333 20.438 1.00 0.00 C ATOM 0 H ILE A 45 -14.956 18.795 16.320 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.960 19.000 16.420 1.00 0.00 H new ATOM 0 HB ILE A 45 -13.195 20.115 18.370 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.474 17.679 19.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.824 19.190 18.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.146 18.584 20.077 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.048 18.484 18.546 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -13.887 17.206 18.981 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.721 19.123 20.932 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.823 20.411 20.389 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.482 18.877 21.004 1.00 0.00 H new ATOM 724 N VAL A 46 -11.743 16.486 16.670 1.00 0.00 N ATOM 725 CA VAL A 46 -11.680 14.995 16.564 1.00 0.00 C ATOM 726 C VAL A 46 -10.617 14.456 17.533 1.00 0.00 C ATOM 727 O VAL A 46 -9.416 14.575 17.298 1.00 0.00 O ATOM 728 CB VAL A 46 -11.334 14.599 15.122 1.00 0.00 C ATOM 729 CG1 VAL A 46 -11.300 13.077 14.998 1.00 0.00 C ATOM 730 CG2 VAL A 46 -12.402 15.143 14.171 1.00 0.00 C ATOM 0 H VAL A 46 -10.839 16.957 16.685 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.647 14.567 16.827 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.359 15.013 14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.054 12.801 13.973 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.545 12.674 15.673 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.276 12.669 15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.155 14.861 13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.373 14.726 14.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.439 16.230 14.249 1.00 0.00 H new ATOM 740 N GLY A 47 -11.035 13.876 18.629 1.00 0.00 N ATOM 741 CA GLY A 47 -10.049 13.340 19.623 1.00 0.00 C ATOM 742 C GLY A 47 -9.357 14.502 20.339 1.00 0.00 C ATOM 743 O GLY A 47 -9.786 14.937 21.403 1.00 0.00 O ATOM 0 H GLY A 47 -12.015 13.749 18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.557 12.704 20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.309 12.719 19.118 1.00 0.00 H new ATOM 747 N SER A 48 -8.298 15.015 19.772 1.00 0.00 N ATOM 748 CA SER A 48 -7.575 16.160 20.417 1.00 0.00 C ATOM 749 C SER A 48 -7.152 17.192 19.357 1.00 0.00 C ATOM 750 O SER A 48 -6.256 18.003 19.585 1.00 0.00 O ATOM 751 CB SER A 48 -6.332 15.637 21.145 1.00 0.00 C ATOM 752 OG SER A 48 -6.612 14.352 21.696 1.00 0.00 O ATOM 0 H SER A 48 -7.899 14.694 18.890 1.00 0.00 H new ATOM 0 HA SER A 48 -8.244 16.641 21.130 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.492 15.573 20.453 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.042 16.329 21.936 1.00 0.00 H new ATOM 0 HG SER A 48 -5.818 14.015 22.161 1.00 0.00 H new ATOM 758 N ILE A 49 -7.779 17.185 18.206 1.00 0.00 N ATOM 759 CA ILE A 49 -7.420 18.164 17.139 1.00 0.00 C ATOM 760 C ILE A 49 -8.678 18.958 16.749 1.00 0.00 C ATOM 761 O ILE A 49 -9.780 18.410 16.680 1.00 0.00 O ATOM 762 CB ILE A 49 -6.850 17.411 15.915 1.00 0.00 C ATOM 763 CG1 ILE A 49 -7.260 18.120 14.627 1.00 0.00 C ATOM 764 CG2 ILE A 49 -7.390 15.978 15.868 1.00 0.00 C ATOM 765 CD1 ILE A 49 -6.505 17.511 13.444 1.00 0.00 C ATOM 0 H ILE A 49 -8.528 16.538 17.961 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.660 18.855 17.503 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.764 17.393 16.006 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.335 18.024 14.474 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.042 19.185 14.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.979 15.462 15.000 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.099 15.450 16.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.477 16.001 15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.799 18.018 12.525 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.432 17.630 13.597 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.745 16.451 13.366 1.00 0.00 H new ATOM 777 N VAL A 50 -8.537 20.234 16.495 1.00 0.00 N ATOM 778 CA VAL A 50 -9.725 21.066 16.110 1.00 0.00 C ATOM 779 C VAL A 50 -9.471 21.739 14.752 1.00 0.00 C ATOM 780 O VAL A 50 -8.342 22.101 14.424 1.00 0.00 O ATOM 781 CB VAL A 50 -9.979 22.156 17.167 1.00 0.00 C ATOM 782 CG1 VAL A 50 -11.480 22.431 17.268 1.00 0.00 C ATOM 783 CG2 VAL A 50 -9.466 21.705 18.538 1.00 0.00 C ATOM 0 H VAL A 50 -7.652 20.739 16.537 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.597 20.415 16.045 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.450 23.060 16.865 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.659 23.203 18.017 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.854 22.769 16.302 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.999 21.517 17.558 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.654 22.488 19.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.983 20.794 18.838 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.395 21.512 18.480 1.00 0.00 H new ATOM 793 N THR A 51 -10.502 21.923 13.969 1.00 0.00 N ATOM 794 CA THR A 51 -10.337 22.587 12.633 1.00 0.00 C ATOM 795 C THR A 51 -11.609 23.376 12.295 1.00 0.00 C ATOM 796 O THR A 51 -12.717 22.834 12.289 1.00 0.00 O ATOM 797 CB THR A 51 -10.062 21.528 11.549 1.00 0.00 C ATOM 798 OG1 THR A 51 -8.665 21.280 11.490 1.00 0.00 O ATOM 799 CG2 THR A 51 -10.521 22.027 10.179 1.00 0.00 C ATOM 0 H THR A 51 -11.456 21.642 14.195 1.00 0.00 H new ATOM 0 HA THR A 51 -9.490 23.273 12.671 1.00 0.00 H new ATOM 0 HB THR A 51 -10.608 20.620 11.802 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.465 20.718 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.318 21.264 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.591 22.233 10.207 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.982 22.940 9.925 1.00 0.00 H new ATOM 807 N GLU A 52 -11.472 24.644 12.021 1.00 0.00 N ATOM 808 CA GLU A 52 -12.667 25.480 11.695 1.00 0.00 C ATOM 809 C GLU A 52 -12.972 25.438 10.188 1.00 0.00 C ATOM 810 O GLU A 52 -12.113 25.125 9.360 1.00 0.00 O ATOM 811 CB GLU A 52 -12.394 26.928 12.121 1.00 0.00 C ATOM 812 CG GLU A 52 -13.024 27.184 13.496 1.00 0.00 C ATOM 813 CD GLU A 52 -12.221 26.462 14.581 1.00 0.00 C ATOM 814 OE1 GLU A 52 -11.265 27.041 15.064 1.00 0.00 O ATOM 815 OE2 GLU A 52 -12.579 25.343 14.909 1.00 0.00 O ATOM 0 H GLU A 52 -10.581 25.141 12.008 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.530 25.084 12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.320 27.110 12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.807 27.619 11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.048 28.254 13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.057 26.835 13.503 1.00 0.00 H new ATOM 822 N GLY A 53 -14.188 25.756 9.827 1.00 0.00 N ATOM 823 CA GLY A 53 -14.594 25.762 8.385 1.00 0.00 C ATOM 824 C GLY A 53 -15.344 27.064 8.082 1.00 0.00 C ATOM 825 O GLY A 53 -16.545 27.177 8.332 1.00 0.00 O ATOM 0 H GLY A 53 -14.929 26.016 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.715 25.677 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.229 24.903 8.169 1.00 0.00 H new ATOM 829 N GLU A 54 -14.661 28.048 7.565 1.00 0.00 N ATOM 830 CA GLU A 54 -15.309 29.359 7.253 1.00 0.00 C ATOM 831 C GLU A 54 -15.964 29.342 5.848 1.00 0.00 C ATOM 832 O GLU A 54 -16.066 30.371 5.179 1.00 0.00 O ATOM 833 CB GLU A 54 -14.233 30.463 7.348 1.00 0.00 C ATOM 834 CG GLU A 54 -13.343 30.494 6.083 1.00 0.00 C ATOM 835 CD GLU A 54 -12.467 29.236 5.988 1.00 0.00 C ATOM 836 OE1 GLU A 54 -12.961 28.214 5.544 1.00 0.00 O ATOM 837 OE2 GLU A 54 -11.315 29.312 6.346 1.00 0.00 O ATOM 0 H GLU A 54 -13.667 28.001 7.341 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.106 29.554 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.714 31.432 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.612 30.293 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.971 30.571 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.709 31.381 6.103 1.00 0.00 H new ATOM 844 N GLY A 55 -16.432 28.198 5.401 1.00 0.00 N ATOM 845 CA GLY A 55 -17.098 28.112 4.052 1.00 0.00 C ATOM 846 C GLY A 55 -18.071 29.289 3.859 1.00 0.00 C ATOM 847 O GLY A 55 -18.881 29.595 4.730 1.00 0.00 O ATOM 0 H GLY A 55 -16.383 27.316 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.344 28.123 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.637 27.168 3.964 1.00 0.00 H new ATOM 943 N LYS A 62 -20.376 23.559 6.379 1.00 0.00 N ATOM 944 CA LYS A 62 -20.687 22.203 6.934 1.00 0.00 C ATOM 945 C LYS A 62 -20.115 21.125 5.997 1.00 0.00 C ATOM 946 O LYS A 62 -20.828 20.243 5.512 1.00 0.00 O ATOM 947 CB LYS A 62 -22.202 22.039 7.070 1.00 0.00 C ATOM 948 CG LYS A 62 -22.637 22.490 8.467 1.00 0.00 C ATOM 949 CD LYS A 62 -24.023 23.138 8.388 1.00 0.00 C ATOM 950 CE LYS A 62 -23.983 24.528 9.028 1.00 0.00 C ATOM 951 NZ LYS A 62 -23.107 25.425 8.216 1.00 0.00 N ATOM 0 HA LYS A 62 -20.233 22.095 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -22.713 22.629 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -22.483 20.998 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -22.661 21.637 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -21.915 23.199 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -24.339 23.216 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -24.756 22.514 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -24.990 24.942 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -23.606 24.460 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.312 25.754 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.741 24.902 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.658 26.244 7.888 1.00 0.00 H new ATOM 965 N LYS A 63 -18.836 21.194 5.740 1.00 0.00 N ATOM 966 CA LYS A 63 -18.170 20.204 4.842 1.00 0.00 C ATOM 967 C LYS A 63 -16.681 20.547 4.746 1.00 0.00 C ATOM 968 O LYS A 63 -15.827 19.785 5.192 1.00 0.00 O ATOM 969 CB LYS A 63 -18.804 20.256 3.450 1.00 0.00 C ATOM 970 CG LYS A 63 -19.498 18.922 3.170 1.00 0.00 C ATOM 971 CD LYS A 63 -20.061 18.923 1.748 1.00 0.00 C ATOM 972 CE LYS A 63 -21.296 19.820 1.690 1.00 0.00 C ATOM 973 NZ LYS A 63 -22.468 19.086 2.258 1.00 0.00 N ATOM 0 H LYS A 63 -18.214 21.907 6.121 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.293 19.199 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.523 21.074 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.041 20.449 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.791 18.101 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.301 18.761 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.306 19.279 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.321 17.908 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.120 20.737 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.500 20.111 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.264 19.134 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.210 18.091 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.746 19.522 3.160 1.00 0.00 H new ATOM 987 N ARG A 64 -16.356 21.695 4.200 1.00 0.00 N ATOM 988 CA ARG A 64 -14.920 22.106 4.090 1.00 0.00 C ATOM 989 C ARG A 64 -14.207 21.910 5.440 1.00 0.00 C ATOM 990 O ARG A 64 -13.053 21.487 5.490 1.00 0.00 O ATOM 991 CB ARG A 64 -14.844 23.580 3.672 1.00 0.00 C ATOM 992 CG ARG A 64 -13.416 23.914 3.230 1.00 0.00 C ATOM 993 CD ARG A 64 -13.456 24.828 2.007 1.00 0.00 C ATOM 994 NE ARG A 64 -12.319 25.791 2.086 1.00 0.00 N ATOM 995 CZ ARG A 64 -12.235 26.621 3.069 1.00 0.00 C ATOM 996 NH1 ARG A 64 -12.807 27.769 2.992 1.00 0.00 N ATOM 997 NH2 ARG A 64 -11.561 26.301 4.116 1.00 0.00 N ATOM 0 H ARG A 64 -17.026 22.367 3.825 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.427 21.488 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.543 23.774 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.137 24.220 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.878 24.402 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.874 22.998 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.387 24.238 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.403 25.366 1.969 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.604 25.793 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.328 28.024 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.740 28.425 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.096 25.394 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.491 26.954 4.897 1.00 0.00 H new ATOM 1011 N ALA A 65 -14.873 22.194 6.534 1.00 0.00 N ATOM 1012 CA ALA A 65 -14.237 22.005 7.875 1.00 0.00 C ATOM 1013 C ALA A 65 -13.977 20.504 8.113 1.00 0.00 C ATOM 1014 O ALA A 65 -12.944 20.109 8.654 1.00 0.00 O ATOM 1015 CB ALA A 65 -15.180 22.539 8.960 1.00 0.00 C ATOM 0 H ALA A 65 -15.829 22.548 6.555 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.292 22.546 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.721 22.404 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.367 23.599 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.123 21.994 8.923 1.00 0.00 H new ATOM 1021 N ALA A 66 -14.899 19.666 7.710 1.00 0.00 N ATOM 1022 CA ALA A 66 -14.733 18.193 7.900 1.00 0.00 C ATOM 1023 C ALA A 66 -13.753 17.629 6.857 1.00 0.00 C ATOM 1024 O ALA A 66 -12.739 17.026 7.211 1.00 0.00 O ATOM 1025 CB ALA A 66 -16.096 17.512 7.749 1.00 0.00 C ATOM 0 H ALA A 66 -15.768 19.943 7.253 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.332 18.001 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.983 16.437 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.783 17.903 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.494 17.711 6.754 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.026 17.818 5.586 1.00 0.00 N ATOM 1032 CA GLU A 67 -13.100 17.297 4.530 1.00 0.00 C ATOM 1033 C GLU A 67 -11.669 17.734 4.849 1.00 0.00 C ATOM 1034 O GLU A 67 -10.751 16.916 4.917 1.00 0.00 O ATOM 1035 CB GLU A 67 -13.512 17.847 3.160 1.00 0.00 C ATOM 1036 CG GLU A 67 -14.507 16.880 2.502 1.00 0.00 C ATOM 1037 CD GLU A 67 -15.688 17.656 1.918 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.582 17.994 2.676 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -15.685 17.888 0.721 1.00 0.00 O ATOM 0 H GLU A 67 -14.848 18.309 5.236 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.153 16.209 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.965 18.832 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.634 17.970 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.009 16.314 1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.864 16.158 3.237 1.00 0.00 H new ATOM 1046 N LYS A 68 -11.471 19.007 5.072 1.00 0.00 N ATOM 1047 CA LYS A 68 -10.109 19.516 5.417 1.00 0.00 C ATOM 1048 C LYS A 68 -9.562 18.720 6.616 1.00 0.00 C ATOM 1049 O LYS A 68 -8.433 18.235 6.589 1.00 0.00 O ATOM 1050 CB LYS A 68 -10.208 21.007 5.765 1.00 0.00 C ATOM 1051 CG LYS A 68 -8.837 21.544 6.183 1.00 0.00 C ATOM 1052 CD LYS A 68 -8.956 22.193 7.565 1.00 0.00 C ATOM 1053 CE LYS A 68 -7.783 23.143 7.799 1.00 0.00 C ATOM 1054 NZ LYS A 68 -6.724 22.424 8.557 1.00 0.00 N ATOM 0 H LYS A 68 -12.198 19.721 5.030 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.432 19.391 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.578 21.565 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.925 21.153 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.107 20.735 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.480 22.272 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.897 22.738 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.971 21.424 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.390 23.498 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.114 24.021 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.044 23.111 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.157 21.892 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.230 21.765 7.922 1.00 0.00 H new ATOM 1068 N MET A 69 -10.353 18.556 7.650 1.00 0.00 N ATOM 1069 CA MET A 69 -9.894 17.768 8.840 1.00 0.00 C ATOM 1070 C MET A 69 -9.437 16.374 8.388 1.00 0.00 C ATOM 1071 O MET A 69 -8.349 15.914 8.733 1.00 0.00 O ATOM 1072 CB MET A 69 -11.050 17.633 9.838 1.00 0.00 C ATOM 1073 CG MET A 69 -10.695 18.366 11.131 1.00 0.00 C ATOM 1074 SD MET A 69 -10.618 17.180 12.494 1.00 0.00 S ATOM 1075 CE MET A 69 -11.030 18.340 13.820 1.00 0.00 C ATOM 0 H MET A 69 -11.298 18.934 7.722 1.00 0.00 H new ATOM 0 HA MET A 69 -9.060 18.282 9.318 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.963 18.048 9.411 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.244 16.581 10.046 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.737 18.874 11.022 1.00 0.00 H new ATOM 0 HG3 MET A 69 -11.440 19.133 11.343 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.580 18.001 14.753 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.646 19.329 13.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.113 18.390 13.936 1.00 0.00 H new ATOM 1085 N LEU A 70 -10.234 15.691 7.605 1.00 0.00 N ATOM 1086 CA LEU A 70 -9.813 14.341 7.120 1.00 0.00 C ATOM 1087 C LEU A 70 -8.562 14.493 6.245 1.00 0.00 C ATOM 1088 O LEU A 70 -7.676 13.639 6.248 1.00 0.00 O ATOM 1089 CB LEU A 70 -10.937 13.705 6.292 1.00 0.00 C ATOM 1090 CG LEU A 70 -11.942 12.977 7.196 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -12.571 11.827 6.414 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -11.250 12.404 8.435 1.00 0.00 C ATOM 0 H LEU A 70 -11.149 16.006 7.283 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.596 13.701 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.451 14.476 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.512 13.003 5.575 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.701 13.691 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.287 11.304 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.084 12.221 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.792 11.133 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.984 11.894 9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.480 11.696 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.792 13.214 9.003 1.00 0.00 H new ATOM 1104 N VAL A 71 -8.472 15.566 5.501 1.00 0.00 N ATOM 1105 CA VAL A 71 -7.278 15.791 4.630 1.00 0.00 C ATOM 1106 C VAL A 71 -6.012 15.804 5.503 1.00 0.00 C ATOM 1107 O VAL A 71 -5.079 15.035 5.272 1.00 0.00 O ATOM 1108 CB VAL A 71 -7.434 17.129 3.893 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -6.202 17.399 3.032 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -8.663 17.072 2.982 1.00 0.00 C ATOM 0 H VAL A 71 -9.179 16.300 5.459 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.193 14.991 3.895 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.549 17.924 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.322 18.350 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.317 17.441 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.087 16.599 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.773 18.022 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.540 16.270 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.553 16.883 3.583 1.00 0.00 H new ATOM 1120 N GLU A 72 -5.967 16.641 6.509 1.00 0.00 N ATOM 1121 CA GLU A 72 -4.765 16.677 7.400 1.00 0.00 C ATOM 1122 C GLU A 72 -4.672 15.371 8.209 1.00 0.00 C ATOM 1123 O GLU A 72 -3.594 14.796 8.360 1.00 0.00 O ATOM 1124 CB GLU A 72 -4.839 17.884 8.356 1.00 0.00 C ATOM 1125 CG GLU A 72 -6.267 18.073 8.911 1.00 0.00 C ATOM 1126 CD GLU A 72 -6.738 19.519 8.710 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -6.375 20.122 7.708 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -7.457 20.013 9.563 1.00 0.00 O ATOM 0 H GLU A 72 -6.707 17.299 6.752 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.874 16.778 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.142 17.740 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.528 18.787 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.951 17.389 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.287 17.823 9.972 1.00 0.00 H new ATOM 1135 N LEU A 73 -5.775 14.886 8.727 1.00 0.00 N ATOM 1136 CA LEU A 73 -5.744 13.613 9.524 1.00 0.00 C ATOM 1137 C LEU A 73 -5.235 12.443 8.663 1.00 0.00 C ATOM 1138 O LEU A 73 -4.609 11.517 9.168 1.00 0.00 O ATOM 1139 CB LEU A 73 -7.153 13.297 10.037 1.00 0.00 C ATOM 1140 CG LEU A 73 -7.545 14.305 11.120 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -8.971 14.023 11.586 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -6.595 14.177 12.310 1.00 0.00 C ATOM 0 H LEU A 73 -6.696 15.314 8.634 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.065 13.746 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.867 13.336 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.185 12.285 10.440 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.484 15.313 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.250 14.741 12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.654 14.113 10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.028 13.013 11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.877 14.896 13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.656 13.168 12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.574 14.376 11.984 1.00 0.00 H new ATOM 1154 N GLN A 74 -5.479 12.467 7.378 1.00 0.00 N ATOM 1155 CA GLN A 74 -4.987 11.355 6.500 1.00 0.00 C ATOM 1156 C GLN A 74 -3.505 11.579 6.144 1.00 0.00 C ATOM 1157 O GLN A 74 -2.936 10.859 5.322 1.00 0.00 O ATOM 1158 CB GLN A 74 -5.812 11.325 5.211 1.00 0.00 C ATOM 1159 CG GLN A 74 -7.167 10.659 5.476 1.00 0.00 C ATOM 1160 CD GLN A 74 -8.090 10.892 4.282 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -8.557 9.943 3.654 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -8.381 12.105 3.927 1.00 0.00 N ATOM 0 H GLN A 74 -5.995 13.204 6.897 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.091 10.409 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.961 12.339 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.273 10.779 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.033 9.590 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.615 11.069 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.996 12.894 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.995 12.270 3.129 1.00 0.00 H new ATOM 1171 N LYS A 75 -2.875 12.566 6.728 1.00 0.00 N ATOM 1172 CA LYS A 75 -1.442 12.841 6.412 1.00 0.00 C ATOM 1173 C LYS A 75 -0.595 12.905 7.699 1.00 0.00 C ATOM 1174 O LYS A 75 0.599 13.217 7.649 1.00 0.00 O ATOM 1175 CB LYS A 75 -1.364 14.183 5.694 1.00 0.00 C ATOM 1176 CG LYS A 75 -0.113 14.222 4.814 1.00 0.00 C ATOM 1177 CD LYS A 75 0.549 15.597 4.934 1.00 0.00 C ATOM 1178 CE LYS A 75 1.956 15.438 5.509 1.00 0.00 C ATOM 1179 NZ LYS A 75 2.637 16.769 5.509 1.00 0.00 N ATOM 0 H LYS A 75 -3.294 13.195 7.413 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.051 12.038 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.255 14.333 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.335 14.995 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.585 13.442 5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.379 14.023 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.597 16.076 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.047 16.244 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.905 15.041 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.526 14.724 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.596 16.668 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.696 17.129 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.094 17.437 6.093 1.00 0.00 H new ATOM 1193 N LEU A 76 -1.185 12.636 8.835 1.00 0.00 N ATOM 1194 CA LEU A 76 -0.429 12.683 10.121 1.00 0.00 C ATOM 1195 C LEU A 76 0.111 11.283 10.471 1.00 0.00 C ATOM 1196 O LEU A 76 -0.670 10.340 10.475 1.00 0.00 O ATOM 1197 CB LEU A 76 -1.370 13.165 11.230 1.00 0.00 C ATOM 1198 CG LEU A 76 -1.456 14.691 11.209 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -2.619 15.150 12.083 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -0.156 15.278 11.754 1.00 0.00 C ATOM 1201 OXT LEU A 76 1.300 11.180 10.734 1.00 0.00 O ATOM 0 H LEU A 76 -2.169 12.383 8.927 1.00 0.00 H new ATOM 0 HA LEU A 76 0.414 13.367 10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.361 12.734 11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.008 12.825 12.200 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.614 15.031 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.679 16.238 12.067 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.549 14.730 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.461 14.810 13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.214 16.366 11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.003 14.936 12.778 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.679 14.952 11.134 1.00 0.00 H new