USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 583 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 97 CYS SG : rot 140:sc= 0.00594 USER MOD Set 1.2: A 100 CYS SG : rot -140:sc= 0 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 1.11 K(o=2.1,f=-3.1!) USER MOD Set 1.4: A 119 HIS : no HE2:sc= 0.0182 X(o=2.1,f=1.9) USER MOD Set 1.5: A 122 ASN : amide:sc= 0.989 K(o=2.1,f=1.2) USER MOD Set 2.1: A 94 SER OG : rot -35:sc= 0.744 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 176:sc= 0.51 (180deg=-0.23) USER MOD Set 3.1: A 36 CYS SG : rot 59:sc= 0.257 USER MOD Set 3.2: A 39 CYS SG : rot 135:sc= 0.17 USER MOD Set 3.3: A 52 HIS : no HE2:sc= -0.758 K(o=-0.43,f=-1.3) USER MOD Set 3.4: A 58 HIS : no HD1:sc= -0.099 K(o=-0.43,f=-1.3) USER MOD Set 4.1: A 45 SER OG : rot -110:sc= 0.0868 USER MOD Set 4.2: A 47 SER OG : rot 68:sc= 0.756 USER MOD Set 4.3: A 48 GLN : amide:sc= 0.135 K(o=0.98,f=-3.4!) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.18) USER MOD Single : A 21 ASN : amide:sc= 1.54 K(o=1.5,f=-5.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.686 K(o=0.69,f=-0.026) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 32 SER OG : rot -39:sc= 0.405 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0.875 (180deg=0.865) USER MOD Single : A 40 SER OG : rot 17:sc= 0.577 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 2.54 (180deg=1.22) USER MOD Single : A 53 TYR OH : rot -157:sc= 0.991 USER MOD Single : A 54 GLN : amide:sc= 0.859 K(o=0.86,f=-0.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00579) USER MOD Single : A 60 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00365) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-0.74) USER MOD Single : A 102 MET CE :methyl -178:sc= 0 (180deg=-0.00598) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00227 USER MOD Single : A 106 SER OG : rot 180:sc= 0.117 USER MOD Single : A 112 SER OG : rot 70:sc= 1.02 USER MOD Single : A 114 TYR OH : rot 155:sc= 1.07 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 120:sc= 0.0149 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.787 8.348 15.234 1.00 1.00 N ATOM 189 CA GLY A 16 -17.709 7.734 16.563 1.00 1.00 C ATOM 190 C GLY A 16 -16.742 6.548 16.676 1.00 1.00 C ATOM 191 O GLY A 16 -16.338 5.932 15.684 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.409 8.497 17.282 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.706 7.399 16.851 1.00 1.00 H new ATOM 195 N LYS A 17 -16.385 6.215 17.924 1.00 1.00 N ATOM 196 CA LYS A 17 -15.477 5.111 18.286 1.00 1.00 C ATOM 197 C LYS A 17 -15.933 3.749 17.756 1.00 1.00 C ATOM 198 O LYS A 17 -15.093 2.944 17.357 1.00 1.00 O ATOM 199 CB LYS A 17 -15.288 5.131 19.816 1.00 1.00 C ATOM 200 CG LYS A 17 -14.383 4.011 20.356 1.00 1.00 C ATOM 201 CD LYS A 17 -13.988 4.290 21.814 1.00 1.00 C ATOM 202 CE LYS A 17 -13.120 3.180 22.423 1.00 1.00 C ATOM 203 NZ LYS A 17 -13.899 1.940 22.687 1.00 1.00 N ATOM 0 H LYS A 17 -16.730 6.722 18.739 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.515 5.267 17.799 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.867 6.094 20.106 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.265 5.054 20.292 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.901 3.054 20.291 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.487 3.931 19.740 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.447 5.235 21.864 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -14.891 4.408 22.413 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -12.296 2.953 21.746 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.679 3.535 23.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.323 1.281 23.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -14.764 2.179 23.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -14.156 1.492 21.784 1.00 1.00 H new ATOM 217 N ASP A 18 -17.241 3.497 17.717 1.00 1.00 N ATOM 218 CA ASP A 18 -17.815 2.251 17.194 1.00 1.00 C ATOM 219 C ASP A 18 -17.539 2.084 15.690 1.00 1.00 C ATOM 220 O ASP A 18 -17.073 1.026 15.261 1.00 1.00 O ATOM 221 CB ASP A 18 -19.327 2.221 17.462 1.00 1.00 C ATOM 222 CG ASP A 18 -19.643 2.147 18.965 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.594 1.034 19.540 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.947 3.202 19.571 1.00 1.00 O ATOM 0 H ASP A 18 -17.943 4.158 18.051 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.337 1.419 17.710 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.788 3.113 17.038 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.768 1.362 16.956 1.00 1.00 H new ATOM 229 N ALA A 19 -17.767 3.134 14.889 1.00 1.00 N ATOM 230 CA ALA A 19 -17.501 3.114 13.448 1.00 1.00 C ATOM 231 C ALA A 19 -16.008 2.892 13.158 1.00 1.00 C ATOM 232 O ALA A 19 -15.663 2.075 12.305 1.00 1.00 O ATOM 233 CB ALA A 19 -17.999 4.419 12.817 1.00 1.00 C ATOM 0 H ALA A 19 -18.142 4.021 15.225 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.041 2.278 13.004 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.801 4.404 11.745 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.071 4.519 12.987 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.480 5.264 13.270 1.00 1.00 H new ATOM 239 N VAL A 20 -15.121 3.576 13.892 1.00 1.00 N ATOM 240 CA VAL A 20 -13.663 3.411 13.758 1.00 1.00 C ATOM 241 C VAL A 20 -13.240 1.978 14.105 1.00 1.00 C ATOM 242 O VAL A 20 -12.473 1.368 13.363 1.00 1.00 O ATOM 243 CB VAL A 20 -12.908 4.450 14.611 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.398 4.188 14.618 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.142 5.863 14.062 1.00 1.00 C ATOM 0 H VAL A 20 -15.392 4.261 14.597 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.395 3.589 12.717 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.293 4.364 15.627 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.901 4.941 15.230 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.202 3.198 15.031 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.015 4.238 13.599 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.603 6.585 14.675 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.782 5.918 13.035 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.208 6.091 14.086 1.00 1.00 H new ATOM 255 N ASN A 21 -13.767 1.400 15.190 1.00 1.00 N ATOM 256 CA ASN A 21 -13.466 0.017 15.579 1.00 1.00 C ATOM 257 C ASN A 21 -13.874 -0.999 14.497 1.00 1.00 C ATOM 258 O ASN A 21 -13.107 -1.928 14.224 1.00 1.00 O ATOM 259 CB ASN A 21 -14.108 -0.290 16.943 1.00 1.00 C ATOM 260 CG ASN A 21 -13.144 0.021 18.070 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.316 -0.799 18.443 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.178 1.216 18.605 1.00 1.00 N ATOM 0 H ASN A 21 -14.412 1.875 15.821 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.385 -0.084 15.678 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -15.018 0.298 17.063 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -14.399 -1.340 16.986 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -12.512 1.467 19.336 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -13.870 1.896 18.291 1.00 1.00 H new ATOM 269 N SER A 22 -15.035 -0.818 13.860 1.00 1.00 N ATOM 270 CA SER A 22 -15.484 -1.674 12.753 1.00 1.00 C ATOM 271 C SER A 22 -14.619 -1.467 11.503 1.00 1.00 C ATOM 272 O SER A 22 -14.207 -2.439 10.873 1.00 1.00 O ATOM 273 CB SER A 22 -16.950 -1.389 12.407 1.00 1.00 C ATOM 274 OG SER A 22 -17.791 -1.786 13.480 1.00 1.00 O ATOM 0 H SER A 22 -15.692 -0.074 14.096 1.00 1.00 H new ATOM 0 HA SER A 22 -15.384 -2.708 13.082 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.084 -0.326 12.204 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.228 -1.925 11.499 1.00 1.00 H new ATOM 0 HG SER A 22 -18.725 -1.598 13.250 1.00 1.00 H new ATOM 280 N LEU A 23 -14.286 -0.214 11.165 1.00 1.00 N ATOM 281 CA LEU A 23 -13.449 0.143 10.016 1.00 1.00 C ATOM 282 C LEU A 23 -12.058 -0.504 10.090 1.00 1.00 C ATOM 283 O LEU A 23 -11.593 -1.055 9.091 1.00 1.00 O ATOM 284 CB LEU A 23 -13.365 1.681 9.947 1.00 1.00 C ATOM 285 CG LEU A 23 -12.583 2.246 8.749 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.289 1.969 7.421 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.453 3.759 8.905 1.00 1.00 C ATOM 0 H LEU A 23 -14.600 0.598 11.697 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.901 -0.243 9.102 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.378 2.082 9.920 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.903 2.044 10.865 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.608 1.758 8.735 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.702 2.386 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.393 0.893 7.282 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.276 2.431 7.431 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.899 4.166 8.059 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.446 4.208 8.939 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.921 3.985 9.829 1.00 1.00 H new ATOM 299 N ILE A 24 -11.418 -0.477 11.267 1.00 1.00 N ATOM 300 CA ILE A 24 -10.111 -1.113 11.507 1.00 1.00 C ATOM 301 C ILE A 24 -10.213 -2.636 11.306 1.00 1.00 C ATOM 302 O ILE A 24 -9.361 -3.228 10.645 1.00 1.00 O ATOM 303 CB ILE A 24 -9.580 -0.758 12.920 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.253 0.751 13.039 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.311 -1.565 13.261 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.095 1.218 14.493 1.00 1.00 C ATOM 0 H ILE A 24 -11.796 -0.008 12.090 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.394 -0.727 10.782 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.373 -1.013 13.623 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.333 0.962 12.494 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.046 1.328 12.562 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -7.964 -1.293 14.258 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.539 -2.630 13.234 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.532 -1.343 12.532 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.867 2.284 14.510 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.022 1.037 15.036 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.283 0.665 14.966 1.00 1.00 H new ATOM 318 N ARG A 25 -11.263 -3.276 11.845 1.00 1.00 N ATOM 319 CA ARG A 25 -11.495 -4.731 11.729 1.00 1.00 C ATOM 320 C ARG A 25 -11.769 -5.189 10.296 1.00 1.00 C ATOM 321 O ARG A 25 -11.213 -6.195 9.859 1.00 1.00 O ATOM 322 CB ARG A 25 -12.631 -5.151 12.677 1.00 1.00 C ATOM 323 CG ARG A 25 -12.169 -5.145 14.133 1.00 1.00 C ATOM 324 CD ARG A 25 -13.353 -5.241 15.100 1.00 1.00 C ATOM 325 NE ARG A 25 -12.910 -5.296 16.509 1.00 1.00 N ATOM 326 CZ ARG A 25 -12.450 -4.298 17.242 1.00 1.00 C ATOM 327 NH1 ARG A 25 -12.255 -3.107 16.757 1.00 1.00 N ATOM 328 NH2 ARG A 25 -12.174 -4.471 18.502 1.00 1.00 N ATOM 0 H ARG A 25 -11.985 -2.795 12.381 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.572 -5.231 12.023 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.476 -4.473 12.558 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -12.982 -6.147 12.409 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -11.490 -5.981 14.304 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -11.608 -4.232 14.334 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.008 -4.381 14.959 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -13.940 -6.130 14.869 1.00 1.00 H new ATOM 0 HE ARG A 25 -12.966 -6.206 16.966 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -12.459 -2.916 15.776 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -11.898 -2.364 17.358 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -12.312 -5.385 18.934 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -11.819 -3.693 19.058 1.00 1.00 H new ATOM 342 N GLU A 26 -12.590 -4.450 9.553 1.00 1.00 N ATOM 343 CA GLU A 26 -12.922 -4.742 8.150 1.00 1.00 C ATOM 344 C GLU A 26 -11.747 -4.505 7.175 1.00 1.00 C ATOM 345 O GLU A 26 -11.795 -4.965 6.032 1.00 1.00 O ATOM 346 CB GLU A 26 -14.135 -3.896 7.720 1.00 1.00 C ATOM 347 CG GLU A 26 -15.442 -4.389 8.356 1.00 1.00 C ATOM 348 CD GLU A 26 -16.641 -3.543 7.883 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.219 -3.852 6.811 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.027 -2.573 8.581 1.00 1.00 O ATOM 0 H GLU A 26 -13.054 -3.615 9.911 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.156 -5.805 8.099 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -13.967 -2.856 7.999 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.228 -3.924 6.634 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.605 -5.435 8.096 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.363 -4.339 9.442 1.00 1.00 H new ATOM 357 N ASN A 27 -10.697 -3.796 7.607 1.00 1.00 N ATOM 358 CA ASN A 27 -9.531 -3.431 6.791 1.00 1.00 C ATOM 359 C ASN A 27 -8.192 -3.674 7.519 1.00 1.00 C ATOM 360 O ASN A 27 -7.249 -2.890 7.387 1.00 1.00 O ATOM 361 CB ASN A 27 -9.694 -1.975 6.332 1.00 1.00 C ATOM 362 CG ASN A 27 -10.957 -1.722 5.534 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.016 -1.935 4.331 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.003 -1.261 6.182 1.00 1.00 N ATOM 0 H ASN A 27 -10.633 -3.449 8.564 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.492 -4.082 5.917 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.693 -1.326 7.208 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.831 -1.696 5.727 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.873 -1.078 5.682 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -11.945 -1.086 7.185 1.00 1.00 H new ATOM 371 N SER A 28 -8.091 -4.762 8.290 1.00 1.00 N ATOM 372 CA SER A 28 -6.890 -5.144 9.061 1.00 1.00 C ATOM 373 C SER A 28 -5.587 -5.167 8.245 1.00 1.00 C ATOM 374 O SER A 28 -4.499 -4.947 8.778 1.00 1.00 O ATOM 375 CB SER A 28 -7.116 -6.508 9.714 1.00 1.00 C ATOM 376 OG SER A 28 -7.381 -7.491 8.724 1.00 1.00 O ATOM 0 H SER A 28 -8.860 -5.423 8.402 1.00 1.00 H new ATOM 0 HA SER A 28 -6.754 -4.366 9.812 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.237 -6.792 10.292 1.00 1.00 H new ATOM 0 HB3 SER A 28 -7.951 -6.451 10.412 1.00 1.00 H new ATOM 0 HG SER A 28 -7.522 -8.360 9.155 1.00 1.00 H new ATOM 382 N HIS A 29 -5.683 -5.410 6.934 1.00 1.00 N ATOM 383 CA HIS A 29 -4.568 -5.414 5.976 1.00 1.00 C ATOM 384 C HIS A 29 -3.900 -4.038 5.791 1.00 1.00 C ATOM 385 O HIS A 29 -2.743 -3.988 5.364 1.00 1.00 O ATOM 386 CB HIS A 29 -5.059 -5.997 4.640 1.00 1.00 C ATOM 387 CG HIS A 29 -6.332 -5.376 4.107 1.00 1.00 C ATOM 388 ND1 HIS A 29 -6.409 -4.287 3.239 1.00 1.00 N ATOM 389 CD2 HIS A 29 -7.598 -5.806 4.383 1.00 1.00 C ATOM 390 CE1 HIS A 29 -7.718 -4.080 3.019 1.00 1.00 C ATOM 391 NE2 HIS A 29 -8.454 -4.985 3.683 1.00 1.00 N ATOM 0 H HIS A 29 -6.578 -5.618 6.490 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.781 -6.046 6.388 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.272 -5.875 3.895 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.218 -7.068 4.763 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -7.874 -6.629 5.025 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.121 -3.296 2.396 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -9.472 -5.053 3.671 1.00 1.00 H new ATOM 399 N ILE A 30 -4.582 -2.941 6.143 1.00 1.00 N ATOM 400 CA ILE A 30 -4.088 -1.554 6.028 1.00 1.00 C ATOM 401 C ILE A 30 -4.262 -0.691 7.287 1.00 1.00 C ATOM 402 O ILE A 30 -3.573 0.323 7.410 1.00 1.00 O ATOM 403 CB ILE A 30 -4.723 -0.835 4.817 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.266 -0.921 4.831 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.110 -1.359 3.508 1.00 1.00 C ATOM 406 CD1 ILE A 30 -6.961 -0.079 3.757 1.00 1.00 C ATOM 0 H ILE A 30 -5.525 -2.991 6.529 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.013 -1.664 5.886 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.490 0.227 4.889 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.560 -1.963 4.704 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.626 -0.606 5.810 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.565 -0.845 2.662 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.036 -1.174 3.510 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.294 -2.430 3.423 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.041 -0.200 3.842 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.702 0.971 3.894 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.635 -0.407 2.770 1.00 1.00 H new ATOM 418 N PHE A 31 -5.131 -1.068 8.226 1.00 1.00 N ATOM 419 CA PHE A 31 -5.381 -0.333 9.474 1.00 1.00 C ATOM 420 C PHE A 31 -5.167 -1.237 10.690 1.00 1.00 C ATOM 421 O PHE A 31 -5.385 -2.449 10.635 1.00 1.00 O ATOM 422 CB PHE A 31 -6.834 0.174 9.518 1.00 1.00 C ATOM 423 CG PHE A 31 -7.360 0.981 8.345 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.522 1.776 7.537 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.735 0.916 8.058 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.039 2.401 6.390 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.254 1.535 6.911 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.397 2.251 6.064 1.00 1.00 C ATOM 0 H PHE A 31 -5.696 -1.913 8.141 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.684 0.504 9.502 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.483 -0.693 9.640 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -6.944 0.784 10.415 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.482 1.905 7.800 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.397 0.385 8.726 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.394 2.996 5.760 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.307 1.460 6.682 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.783 2.690 5.156 1.00 1.00 H new ATOM 438 N SER A 32 -4.786 -0.636 11.813 1.00 1.00 N ATOM 439 CA SER A 32 -4.605 -1.321 13.094 1.00 1.00 C ATOM 440 C SER A 32 -4.839 -0.372 14.269 1.00 1.00 C ATOM 441 O SER A 32 -4.888 0.850 14.104 1.00 1.00 O ATOM 442 CB SER A 32 -3.211 -1.958 13.179 1.00 1.00 C ATOM 443 OG SER A 32 -2.198 -0.967 13.183 1.00 1.00 O ATOM 0 H SER A 32 -4.589 0.364 11.862 1.00 1.00 H new ATOM 0 HA SER A 32 -5.349 -2.115 13.154 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.138 -2.561 14.084 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.063 -2.631 12.334 1.00 1.00 H new ATOM 0 HG SER A 32 -2.437 -0.252 12.557 1.00 1.00 H new ATOM 449 N ASP A 33 -4.974 -0.933 15.469 1.00 1.00 N ATOM 450 CA ASP A 33 -5.206 -0.200 16.720 1.00 1.00 C ATOM 451 C ASP A 33 -4.194 0.936 17.016 1.00 1.00 C ATOM 452 O ASP A 33 -4.498 1.826 17.811 1.00 1.00 O ATOM 453 CB ASP A 33 -5.225 -1.228 17.860 1.00 1.00 C ATOM 454 CG ASP A 33 -5.715 -0.617 19.180 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.864 -0.114 19.206 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.975 -0.670 20.188 1.00 1.00 O ATOM 0 H ASP A 33 -4.924 -1.943 15.606 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.159 0.320 16.623 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.871 -2.062 17.585 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.223 -1.634 17.999 1.00 1.00 H new ATOM 461 N THR A 34 -3.013 0.933 16.382 1.00 1.00 N ATOM 462 CA THR A 34 -1.959 1.948 16.580 1.00 1.00 C ATOM 463 C THR A 34 -1.254 2.418 15.295 1.00 1.00 C ATOM 464 O THR A 34 -0.234 3.102 15.391 1.00 1.00 O ATOM 465 CB THR A 34 -0.895 1.464 17.586 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.242 0.321 17.078 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.455 1.098 18.962 1.00 1.00 C ATOM 0 H THR A 34 -2.755 0.215 15.705 1.00 1.00 H new ATOM 0 HA THR A 34 -2.497 2.811 16.973 1.00 1.00 H new ATOM 0 HB THR A 34 -0.216 2.306 17.715 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.434 0.018 17.720 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.643 0.768 19.609 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.938 1.970 19.402 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.184 0.295 18.856 1.00 1.00 H new ATOM 475 N GLN A 35 -1.740 2.096 14.085 1.00 1.00 N ATOM 476 CA GLN A 35 -1.076 2.508 12.829 1.00 1.00 C ATOM 477 C GLN A 35 -1.969 2.401 11.575 1.00 1.00 C ATOM 478 O GLN A 35 -2.700 1.421 11.419 1.00 1.00 O ATOM 479 CB GLN A 35 0.148 1.585 12.649 1.00 1.00 C ATOM 480 CG GLN A 35 1.113 1.928 11.504 1.00 1.00 C ATOM 481 CD GLN A 35 2.258 0.914 11.416 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.193 -0.203 11.921 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.354 1.258 10.774 1.00 1.00 N ATOM 0 H GLN A 35 -2.591 1.551 13.946 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.815 3.562 12.918 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.713 1.585 13.581 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.213 0.568 12.495 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.568 1.947 10.560 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.521 2.927 11.657 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.427 2.182 10.348 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.131 0.601 10.703 1.00 1.00 H new ATOM 492 N CYS A 36 -1.834 3.358 10.648 1.00 1.00 N ATOM 493 CA CYS A 36 -2.509 3.389 9.338 1.00 1.00 C ATOM 494 C CYS A 36 -1.477 3.336 8.195 1.00 1.00 C ATOM 495 O CYS A 36 -0.657 4.248 8.062 1.00 1.00 O ATOM 496 CB CYS A 36 -3.349 4.671 9.215 1.00 1.00 C ATOM 497 SG CYS A 36 -4.257 4.822 7.651 1.00 1.00 S ATOM 0 H CYS A 36 -1.228 4.166 10.793 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.160 2.518 9.263 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.061 4.705 10.040 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.692 5.534 9.325 1.00 1.00 H new ATOM 0 HG CYS A 36 -5.064 3.811 7.518 1.00 1.00 H new ATOM 502 N LYS A 37 -1.509 2.295 7.350 1.00 1.00 N ATOM 503 CA LYS A 37 -0.579 2.126 6.212 1.00 1.00 C ATOM 504 C LYS A 37 -0.902 3.021 5.013 1.00 1.00 C ATOM 505 O LYS A 37 0.018 3.573 4.414 1.00 1.00 O ATOM 506 CB LYS A 37 -0.572 0.668 5.732 1.00 1.00 C ATOM 507 CG LYS A 37 -0.187 -0.349 6.816 1.00 1.00 C ATOM 508 CD LYS A 37 -0.020 -1.721 6.156 1.00 1.00 C ATOM 509 CE LYS A 37 0.016 -2.850 7.191 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.090 -4.178 6.531 1.00 1.00 N ATOM 0 H LYS A 37 -2.186 1.537 7.434 1.00 1.00 H new ATOM 0 HA LYS A 37 0.399 2.420 6.594 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.562 0.418 5.350 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.124 0.575 4.898 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.739 -0.049 7.306 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.956 -0.390 7.587 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.841 -1.892 5.460 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.900 -1.734 5.572 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.943 -2.796 7.762 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.803 -2.725 7.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.012 -4.929 7.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.008 -4.253 6.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.676 -4.282 5.836 1.00 1.00 H new ATOM 524 N VAL A 38 -2.184 3.201 4.670 1.00 1.00 N ATOM 525 CA VAL A 38 -2.618 4.049 3.531 1.00 1.00 C ATOM 526 C VAL A 38 -2.112 5.488 3.668 1.00 1.00 C ATOM 527 O VAL A 38 -1.694 6.099 2.685 1.00 1.00 O ATOM 528 CB VAL A 38 -4.150 4.007 3.355 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.693 5.074 2.398 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.556 2.645 2.786 1.00 1.00 C ATOM 0 H VAL A 38 -2.959 2.765 5.171 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.168 3.634 2.629 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.569 4.193 4.344 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.777 4.981 2.326 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.438 6.064 2.775 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.251 4.937 1.411 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.638 2.611 2.660 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.073 2.496 1.820 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.246 1.857 3.472 1.00 1.00 H new ATOM 540 N CYS A 39 -2.103 6.016 4.894 1.00 1.00 N ATOM 541 CA CYS A 39 -1.608 7.350 5.218 1.00 1.00 C ATOM 542 C CYS A 39 -0.179 7.306 5.813 1.00 1.00 C ATOM 543 O CYS A 39 0.352 8.342 6.218 1.00 1.00 O ATOM 544 CB CYS A 39 -2.624 7.956 6.182 1.00 1.00 C ATOM 545 SG CYS A 39 -4.311 7.986 5.511 1.00 1.00 S ATOM 0 H CYS A 39 -2.450 5.511 5.709 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.515 7.965 4.323 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.619 7.386 7.111 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.320 8.973 6.430 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.147 7.580 6.420 1.00 1.00 H new ATOM 550 N SER A 40 0.428 6.108 5.869 1.00 1.00 N ATOM 551 CA SER A 40 1.755 5.766 6.418 1.00 1.00 C ATOM 552 C SER A 40 2.108 6.557 7.687 1.00 1.00 C ATOM 553 O SER A 40 3.099 7.291 7.740 1.00 1.00 O ATOM 554 CB SER A 40 2.836 5.877 5.332 1.00 1.00 C ATOM 555 OG SER A 40 2.688 4.860 4.352 1.00 1.00 O ATOM 0 H SER A 40 -0.038 5.279 5.499 1.00 1.00 H new ATOM 0 HA SER A 40 1.711 4.725 6.739 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.777 6.856 4.856 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.823 5.804 5.789 1.00 1.00 H new ATOM 0 HG SER A 40 1.792 4.469 4.419 1.00 1.00 H new ATOM 561 N ALA A 41 1.259 6.417 8.709 1.00 1.00 N ATOM 562 CA ALA A 41 1.367 7.125 9.986 1.00 1.00 C ATOM 563 C ALA A 41 1.097 6.223 11.203 1.00 1.00 C ATOM 564 O ALA A 41 0.276 5.302 11.154 1.00 1.00 O ATOM 565 CB ALA A 41 0.389 8.308 9.954 1.00 1.00 C ATOM 0 H ALA A 41 0.455 5.790 8.669 1.00 1.00 H new ATOM 0 HA ALA A 41 2.394 7.472 10.104 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.448 8.855 10.895 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.650 8.973 9.131 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.626 7.937 9.813 1.00 1.00 H new ATOM 571 N VAL A 42 1.768 6.530 12.317 1.00 1.00 N ATOM 572 CA VAL A 42 1.618 5.838 13.609 1.00 1.00 C ATOM 573 C VAL A 42 0.616 6.615 14.473 1.00 1.00 C ATOM 574 O VAL A 42 0.528 7.842 14.410 1.00 1.00 O ATOM 575 CB VAL A 42 2.982 5.679 14.318 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.877 4.842 15.601 1.00 1.00 C ATOM 577 CG2 VAL A 42 4.002 4.970 13.413 1.00 1.00 C ATOM 0 H VAL A 42 2.451 7.287 12.350 1.00 1.00 H new ATOM 0 HA VAL A 42 1.236 4.831 13.442 1.00 1.00 H new ATOM 0 HB VAL A 42 3.304 6.693 14.556 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.861 4.759 16.063 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.190 5.325 16.296 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.506 3.847 15.357 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.951 4.873 13.940 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.630 3.979 13.152 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.150 5.554 12.504 1.00 1.00 H new ATOM 587 N LEU A 43 -0.161 5.884 15.270 1.00 1.00 N ATOM 588 CA LEU A 43 -1.268 6.354 16.104 1.00 1.00 C ATOM 589 C LEU A 43 -1.003 5.942 17.563 1.00 1.00 C ATOM 590 O LEU A 43 -1.571 4.986 18.088 1.00 1.00 O ATOM 591 CB LEU A 43 -2.586 5.807 15.504 1.00 1.00 C ATOM 592 CG LEU A 43 -2.799 6.143 14.011 1.00 1.00 C ATOM 593 CD1 LEU A 43 -3.983 5.373 13.430 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.021 7.639 13.802 1.00 1.00 C ATOM 0 H LEU A 43 -0.025 4.877 15.357 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.357 7.440 16.115 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.604 4.724 15.626 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.424 6.206 16.076 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.890 5.843 13.490 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.105 5.633 12.378 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.800 4.302 13.521 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.890 5.634 13.976 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.167 7.840 12.741 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -3.904 7.957 14.357 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.151 8.189 14.159 1.00 1.00 H new ATOM 606 N ILE A 44 -0.072 6.663 18.196 1.00 1.00 N ATOM 607 CA ILE A 44 0.454 6.442 19.563 1.00 1.00 C ATOM 608 C ILE A 44 -0.552 6.634 20.720 1.00 1.00 C ATOM 609 O ILE A 44 -0.181 6.523 21.889 1.00 1.00 O ATOM 610 CB ILE A 44 1.708 7.326 19.792 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.373 8.837 19.737 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.819 6.950 18.793 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.546 9.745 20.127 1.00 1.00 C ATOM 0 H ILE A 44 0.366 7.467 17.747 1.00 1.00 H new ATOM 0 HA ILE A 44 0.703 5.381 19.596 1.00 1.00 H new ATOM 0 HB ILE A 44 2.076 7.130 20.799 1.00 1.00 H new ATOM 0 HG12 ILE A 44 1.049 9.091 18.728 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.533 9.038 20.402 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.692 7.579 18.966 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.092 5.904 18.930 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.459 7.101 17.775 1.00 1.00 H new ATOM 0 HD11 ILE A 44 2.235 10.788 20.065 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.857 9.520 21.147 1.00 1.00 H new ATOM 0 HD13 ILE A 44 3.380 9.574 19.447 1.00 1.00 H new ATOM 625 N SER A 45 -1.813 6.944 20.418 1.00 1.00 N ATOM 626 CA SER A 45 -2.881 7.192 21.390 1.00 1.00 C ATOM 627 C SER A 45 -4.250 6.921 20.765 1.00 1.00 C ATOM 628 O SER A 45 -4.436 7.144 19.566 1.00 1.00 O ATOM 629 CB SER A 45 -2.801 8.658 21.821 1.00 1.00 C ATOM 630 OG SER A 45 -3.915 9.021 22.608 1.00 1.00 O ATOM 0 H SER A 45 -2.132 7.033 19.453 1.00 1.00 H new ATOM 0 HA SER A 45 -2.757 6.529 22.247 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.884 8.824 22.386 1.00 1.00 H new ATOM 0 HB3 SER A 45 -2.752 9.297 20.939 1.00 1.00 H new ATOM 0 HG SER A 45 -4.490 9.630 22.100 1.00 1.00 H new ATOM 636 N GLU A 46 -5.230 6.477 21.557 1.00 1.00 N ATOM 637 CA GLU A 46 -6.594 6.247 21.057 1.00 1.00 C ATOM 638 C GLU A 46 -7.243 7.538 20.534 1.00 1.00 C ATOM 639 O GLU A 46 -7.869 7.499 19.478 1.00 1.00 O ATOM 640 CB GLU A 46 -7.459 5.562 22.121 1.00 1.00 C ATOM 641 CG GLU A 46 -8.835 5.200 21.542 1.00 1.00 C ATOM 642 CD GLU A 46 -9.477 4.038 22.307 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.871 4.224 23.480 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.571 2.933 21.724 1.00 1.00 O ATOM 0 H GLU A 46 -5.107 6.269 22.548 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.521 5.572 20.205 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.960 4.662 22.480 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.581 6.222 22.980 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.489 6.071 21.584 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.730 4.931 20.491 1.00 1.00 H new ATOM 651 N SER A 47 -7.049 8.696 21.180 1.00 1.00 N ATOM 652 CA SER A 47 -7.594 9.966 20.668 1.00 1.00 C ATOM 653 C SER A 47 -7.005 10.329 19.298 1.00 1.00 C ATOM 654 O SER A 47 -7.729 10.784 18.411 1.00 1.00 O ATOM 655 CB SER A 47 -7.426 11.104 21.680 1.00 1.00 C ATOM 656 OG SER A 47 -6.166 11.099 22.330 1.00 1.00 O ATOM 0 H SER A 47 -6.524 8.782 22.050 1.00 1.00 H new ATOM 0 HA SER A 47 -8.665 9.820 20.525 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.559 12.057 21.169 1.00 1.00 H new ATOM 0 HB3 SER A 47 -8.214 11.032 22.430 1.00 1.00 H new ATOM 0 HG SER A 47 -5.464 11.323 21.684 1.00 1.00 H new ATOM 662 N GLN A 48 -5.712 10.059 19.088 1.00 1.00 N ATOM 663 CA GLN A 48 -5.035 10.245 17.802 1.00 1.00 C ATOM 664 C GLN A 48 -5.586 9.260 16.760 1.00 1.00 C ATOM 665 O GLN A 48 -5.858 9.666 15.629 1.00 1.00 O ATOM 666 CB GLN A 48 -3.509 10.091 17.975 1.00 1.00 C ATOM 667 CG GLN A 48 -2.818 11.412 18.359 1.00 1.00 C ATOM 668 CD GLN A 48 -3.421 12.136 19.569 1.00 1.00 C ATOM 669 OE1 GLN A 48 -3.686 11.572 20.621 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.683 13.421 19.469 1.00 1.00 N ATOM 0 H GLN A 48 -5.098 9.700 19.819 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.230 11.254 17.440 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.308 9.344 18.743 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.078 9.717 17.046 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.767 11.208 18.565 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.850 12.083 17.501 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.473 13.919 18.604 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -4.096 13.920 20.257 1.00 1.00 H new ATOM 679 N LYS A 49 -5.810 7.989 17.132 1.00 1.00 N ATOM 680 CA LYS A 49 -6.394 6.974 16.236 1.00 1.00 C ATOM 681 C LYS A 49 -7.808 7.371 15.801 1.00 1.00 C ATOM 682 O LYS A 49 -8.105 7.371 14.609 1.00 1.00 O ATOM 683 CB LYS A 49 -6.286 5.564 16.881 1.00 1.00 C ATOM 684 CG LYS A 49 -7.604 4.856 17.250 1.00 1.00 C ATOM 685 CD LYS A 49 -7.393 3.522 17.978 1.00 1.00 C ATOM 686 CE LYS A 49 -8.777 2.962 18.323 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.735 1.866 19.322 1.00 1.00 N ATOM 0 H LYS A 49 -5.591 7.635 18.063 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.821 6.923 15.310 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.737 4.920 16.194 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.685 5.652 17.786 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.199 5.516 17.881 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.180 4.679 16.342 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -6.843 2.824 17.347 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.802 3.668 18.882 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.403 3.769 18.705 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.250 2.596 17.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.538 1.223 19.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.844 1.338 19.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.793 2.267 20.280 1.00 1.00 H new ATOM 701 N LEU A 50 -8.657 7.776 16.749 1.00 1.00 N ATOM 702 CA LEU A 50 -10.032 8.208 16.478 1.00 1.00 C ATOM 703 C LEU A 50 -10.070 9.437 15.563 1.00 1.00 C ATOM 704 O LEU A 50 -10.877 9.473 14.634 1.00 1.00 O ATOM 705 CB LEU A 50 -10.789 8.475 17.795 1.00 1.00 C ATOM 706 CG LEU A 50 -11.112 7.239 18.659 1.00 1.00 C ATOM 707 CD1 LEU A 50 -12.023 7.657 19.812 1.00 1.00 C ATOM 708 CD2 LEU A 50 -11.815 6.127 17.887 1.00 1.00 C ATOM 0 H LEU A 50 -8.407 7.814 17.737 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.535 7.397 15.951 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.198 9.167 18.395 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.725 8.979 17.556 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.157 6.849 19.010 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.255 6.787 20.426 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.518 8.407 20.421 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.947 8.076 19.412 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.012 5.289 18.555 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.757 6.501 17.487 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.179 5.795 17.067 1.00 1.00 H new ATOM 720 N ALA A 51 -9.205 10.429 15.786 1.00 1.00 N ATOM 721 CA ALA A 51 -9.135 11.615 14.931 1.00 1.00 C ATOM 722 C ALA A 51 -8.618 11.278 13.523 1.00 1.00 C ATOM 723 O ALA A 51 -9.176 11.759 12.535 1.00 1.00 O ATOM 724 CB ALA A 51 -8.256 12.665 15.622 1.00 1.00 C ATOM 0 H ALA A 51 -8.538 10.433 16.558 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.139 12.017 14.793 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.194 13.556 14.997 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.692 12.928 16.586 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.256 12.259 15.775 1.00 1.00 H new ATOM 730 N HIS A 52 -7.585 10.435 13.409 1.00 1.00 N ATOM 731 CA HIS A 52 -7.030 10.036 12.116 1.00 1.00 C ATOM 732 C HIS A 52 -8.045 9.250 11.273 1.00 1.00 C ATOM 733 O HIS A 52 -8.301 9.622 10.130 1.00 1.00 O ATOM 734 CB HIS A 52 -5.752 9.215 12.335 1.00 1.00 C ATOM 735 CG HIS A 52 -5.016 8.928 11.051 1.00 1.00 C ATOM 736 ND1 HIS A 52 -3.871 9.558 10.616 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.388 8.046 10.069 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.572 9.085 9.395 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.478 8.170 9.016 1.00 1.00 N ATOM 0 H HIS A 52 -7.114 10.013 14.209 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.787 10.940 11.558 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.092 9.753 13.015 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.009 8.273 12.820 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.342 10.261 11.132 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.234 7.375 10.103 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.724 9.396 8.803 1.00 1.00 H new ATOM 747 N TYR A 53 -8.663 8.201 11.828 1.00 1.00 N ATOM 748 CA TYR A 53 -9.637 7.376 11.102 1.00 1.00 C ATOM 749 C TYR A 53 -10.920 8.125 10.690 1.00 1.00 C ATOM 750 O TYR A 53 -11.608 7.685 9.768 1.00 1.00 O ATOM 751 CB TYR A 53 -9.931 6.090 11.895 1.00 1.00 C ATOM 752 CG TYR A 53 -8.771 5.101 11.924 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.260 4.599 10.713 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.200 4.673 13.138 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.152 3.732 10.706 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.104 3.786 13.142 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.571 3.323 11.921 1.00 1.00 C ATOM 758 OH TYR A 53 -5.521 2.463 11.905 1.00 1.00 O ATOM 0 H TYR A 53 -8.503 7.900 12.790 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.176 7.105 10.152 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.192 6.358 12.919 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.803 5.599 11.462 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.723 4.882 9.779 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.605 5.027 14.074 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.747 3.380 9.768 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.674 3.462 14.078 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.468 1.995 12.764 1.00 1.00 H new ATOM 768 N GLN A 54 -11.230 9.268 11.316 1.00 1.00 N ATOM 769 CA GLN A 54 -12.382 10.123 10.974 1.00 1.00 C ATOM 770 C GLN A 54 -11.996 11.343 10.108 1.00 1.00 C ATOM 771 O GLN A 54 -12.881 12.053 9.630 1.00 1.00 O ATOM 772 CB GLN A 54 -13.098 10.571 12.259 1.00 1.00 C ATOM 773 CG GLN A 54 -13.751 9.400 13.011 1.00 1.00 C ATOM 774 CD GLN A 54 -14.386 9.858 14.320 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.589 10.045 14.442 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.596 10.061 15.350 1.00 1.00 N ATOM 0 H GLN A 54 -10.677 9.635 12.091 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.059 9.523 10.367 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.382 11.066 12.916 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.861 11.307 12.007 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.510 8.939 12.379 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.001 8.636 13.217 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.591 9.908 15.260 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.987 10.371 16.239 1.00 1.00 H new ATOM 785 N SER A 55 -10.700 11.604 9.895 1.00 1.00 N ATOM 786 CA SER A 55 -10.201 12.731 9.091 1.00 1.00 C ATOM 787 C SER A 55 -10.653 12.693 7.623 1.00 1.00 C ATOM 788 O SER A 55 -10.674 11.640 6.977 1.00 1.00 O ATOM 789 CB SER A 55 -8.668 12.770 9.145 1.00 1.00 C ATOM 790 OG SER A 55 -8.166 13.818 8.328 1.00 1.00 O ATOM 0 H SER A 55 -9.953 11.028 10.283 1.00 1.00 H new ATOM 0 HA SER A 55 -10.631 13.631 9.531 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.338 12.914 10.174 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.262 11.815 8.811 1.00 1.00 H new ATOM 0 HG SER A 55 -7.187 13.830 8.375 1.00 1.00 H new ATOM 796 N ARG A 56 -10.946 13.876 7.063 1.00 1.00 N ATOM 797 CA ARG A 56 -11.299 14.076 5.645 1.00 1.00 C ATOM 798 C ARG A 56 -10.164 13.637 4.714 1.00 1.00 C ATOM 799 O ARG A 56 -10.427 13.050 3.664 1.00 1.00 O ATOM 800 CB ARG A 56 -11.671 15.561 5.451 1.00 1.00 C ATOM 801 CG ARG A 56 -12.190 15.940 4.054 1.00 1.00 C ATOM 802 CD ARG A 56 -13.581 15.373 3.746 1.00 1.00 C ATOM 803 NE ARG A 56 -14.633 15.988 4.585 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.938 15.968 4.372 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.468 15.368 3.344 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.745 16.564 5.200 1.00 1.00 N ATOM 0 H ARG A 56 -10.945 14.745 7.597 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.153 13.452 5.381 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.432 15.825 6.185 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -10.793 16.168 5.670 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.222 17.026 3.969 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -11.485 15.582 3.303 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.814 15.539 2.694 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.576 14.295 3.905 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.317 16.482 5.420 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.871 14.891 2.668 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -17.480 15.375 3.215 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -16.372 17.049 6.016 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.751 16.547 5.033 1.00 1.00 H new ATOM 820 N LYS A 57 -8.906 13.876 5.108 1.00 1.00 N ATOM 821 CA LYS A 57 -7.709 13.471 4.345 1.00 1.00 C ATOM 822 C LYS A 57 -7.575 11.948 4.306 1.00 1.00 C ATOM 823 O LYS A 57 -7.372 11.378 3.235 1.00 1.00 O ATOM 824 CB LYS A 57 -6.445 14.118 4.950 1.00 1.00 C ATOM 825 CG LYS A 57 -6.462 15.657 4.999 1.00 1.00 C ATOM 826 CD LYS A 57 -6.616 16.316 3.617 1.00 1.00 C ATOM 827 CE LYS A 57 -6.583 17.850 3.689 1.00 1.00 C ATOM 828 NZ LYS A 57 -5.235 18.380 4.029 1.00 1.00 N ATOM 0 H LYS A 57 -8.684 14.362 5.977 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.820 13.822 3.319 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.310 13.739 5.963 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.579 13.797 4.372 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.281 15.983 5.641 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.538 16.008 5.459 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.817 15.969 2.962 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.557 15.997 3.169 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -6.900 18.262 2.731 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -7.301 18.190 4.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -5.257 19.420 4.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -4.962 18.053 4.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -4.542 18.039 3.333 1.00 1.00 H new ATOM 842 N HIS A 58 -7.764 11.287 5.453 1.00 1.00 N ATOM 843 CA HIS A 58 -7.753 9.822 5.561 1.00 1.00 C ATOM 844 C HIS A 58 -8.841 9.206 4.679 1.00 1.00 C ATOM 845 O HIS A 58 -8.548 8.323 3.877 1.00 1.00 O ATOM 846 CB HIS A 58 -7.923 9.413 7.031 1.00 1.00 C ATOM 847 CG HIS A 58 -8.144 7.934 7.233 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.142 6.972 7.382 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.360 7.313 7.262 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.778 5.796 7.493 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.110 5.970 7.431 1.00 1.00 N ATOM 0 H HIS A 58 -7.931 11.758 6.342 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.795 9.443 5.206 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.036 9.717 7.587 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.767 9.958 7.454 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.328 7.783 7.170 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.288 4.841 7.615 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.813 5.234 7.498 1.00 1.00 H new ATOM 859 N ALA A 59 -10.080 9.704 4.766 1.00 1.00 N ATOM 860 CA ALA A 59 -11.194 9.218 3.951 1.00 1.00 C ATOM 861 C ALA A 59 -10.910 9.334 2.441 1.00 1.00 C ATOM 862 O ALA A 59 -11.151 8.382 1.698 1.00 1.00 O ATOM 863 CB ALA A 59 -12.462 9.974 4.361 1.00 1.00 C ATOM 0 H ALA A 59 -10.336 10.456 5.405 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.334 8.153 4.135 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.304 9.624 3.763 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.667 9.795 5.416 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.318 11.042 4.196 1.00 1.00 H new ATOM 869 N ASN A 60 -10.349 10.461 1.980 1.00 1.00 N ATOM 870 CA ASN A 60 -9.984 10.645 0.569 1.00 1.00 C ATOM 871 C ASN A 60 -8.888 9.658 0.125 1.00 1.00 C ATOM 872 O ASN A 60 -9.045 9.002 -0.911 1.00 1.00 O ATOM 873 CB ASN A 60 -9.565 12.106 0.325 1.00 1.00 C ATOM 874 CG ASN A 60 -10.760 12.996 0.026 1.00 1.00 C ATOM 875 OD1 ASN A 60 -11.154 13.181 -1.117 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.387 13.562 1.030 1.00 1.00 N ATOM 0 H ASN A 60 -10.137 11.265 2.570 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.859 10.427 -0.043 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -9.041 12.485 1.202 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.863 12.148 -0.508 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -12.199 14.153 0.856 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -11.062 13.410 1.985 1.00 1.00 H new ATOM 883 N LYS A 61 -7.806 9.500 0.906 1.00 1.00 N ATOM 884 CA LYS A 61 -6.727 8.543 0.593 1.00 1.00 C ATOM 885 C LYS A 61 -7.246 7.101 0.566 1.00 1.00 C ATOM 886 O LYS A 61 -6.918 6.354 -0.353 1.00 1.00 O ATOM 887 CB LYS A 61 -5.545 8.678 1.572 1.00 1.00 C ATOM 888 CG LYS A 61 -4.762 9.987 1.373 1.00 1.00 C ATOM 889 CD LYS A 61 -3.494 10.091 2.237 1.00 1.00 C ATOM 890 CE LYS A 61 -2.392 9.085 1.866 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.820 9.324 0.514 1.00 1.00 N ATOM 0 H LYS A 61 -7.653 10.027 1.766 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.363 8.789 -0.405 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.918 8.633 2.595 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.871 7.832 1.441 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.483 10.076 0.323 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.416 10.829 1.602 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.092 11.101 2.152 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.767 9.944 3.282 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.594 9.138 2.607 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.800 8.075 1.909 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -1.060 8.638 0.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.565 9.213 -0.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.434 10.289 0.466 1.00 1.00 H new ATOM 905 N VAL A 62 -8.076 6.709 1.535 1.00 1.00 N ATOM 906 CA VAL A 62 -8.656 5.358 1.615 1.00 1.00 C ATOM 907 C VAL A 62 -9.612 5.067 0.462 1.00 1.00 C ATOM 908 O VAL A 62 -9.484 4.012 -0.155 1.00 1.00 O ATOM 909 CB VAL A 62 -9.337 5.150 2.978 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.180 3.869 3.057 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.245 5.062 4.050 1.00 1.00 C ATOM 0 H VAL A 62 -8.370 7.323 2.295 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.839 4.642 1.523 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.012 5.992 3.129 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.629 3.790 4.047 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.967 3.904 2.303 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.543 3.003 2.877 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -8.705 4.914 5.027 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.585 4.223 3.829 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.667 5.986 4.057 1.00 1.00 H new ATOM 1397 N SER A 94 -2.426 -2.145 33.269 1.00 1.00 N ATOM 1398 CA SER A 94 -1.664 -2.693 32.126 1.00 1.00 C ATOM 1399 C SER A 94 -2.394 -3.686 31.208 1.00 1.00 C ATOM 1400 O SER A 94 -1.857 -4.021 30.151 1.00 1.00 O ATOM 1401 CB SER A 94 -0.426 -3.422 32.678 1.00 1.00 C ATOM 1402 OG SER A 94 -0.810 -4.424 33.611 1.00 1.00 O ATOM 0 HA SER A 94 -1.448 -1.823 31.506 1.00 1.00 H new ATOM 0 HB2 SER A 94 0.131 -3.875 31.858 1.00 1.00 H new ATOM 0 HB3 SER A 94 0.240 -2.706 33.159 1.00 1.00 H new ATOM 0 HG SER A 94 -1.587 -4.115 34.122 1.00 1.00 H new ATOM 1408 N LYS A 95 -3.571 -4.203 31.599 1.00 1.00 N ATOM 1409 CA LYS A 95 -4.281 -5.281 30.866 1.00 1.00 C ATOM 1410 C LYS A 95 -5.769 -5.034 30.604 1.00 1.00 C ATOM 1411 O LYS A 95 -6.320 -5.613 29.669 1.00 1.00 O ATOM 1412 CB LYS A 95 -4.081 -6.599 31.632 1.00 1.00 C ATOM 1413 CG LYS A 95 -2.593 -6.993 31.676 1.00 1.00 C ATOM 1414 CD LYS A 95 -2.342 -8.230 32.539 1.00 1.00 C ATOM 1415 CE LYS A 95 -0.856 -8.339 32.922 1.00 1.00 C ATOM 1416 NZ LYS A 95 -0.458 -7.296 33.908 1.00 1.00 N ATOM 0 H LYS A 95 -4.064 -3.888 32.435 1.00 1.00 H new ATOM 0 HA LYS A 95 -3.840 -5.318 29.870 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -4.463 -6.495 32.647 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -4.657 -7.392 31.154 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -2.240 -7.183 30.662 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -2.010 -6.158 32.065 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -2.952 -8.179 33.441 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -2.649 -9.125 31.997 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -0.660 -9.327 33.340 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -0.242 -8.244 32.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 0.532 -7.445 34.191 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -0.556 -6.355 33.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -1.071 -7.358 34.746 1.00 1.00 H new ATOM 1430 N CYS A 96 -6.425 -4.181 31.388 1.00 1.00 N ATOM 1431 CA CYS A 96 -7.843 -3.836 31.229 1.00 1.00 C ATOM 1432 C CYS A 96 -8.181 -2.417 31.707 1.00 1.00 C ATOM 1433 O CYS A 96 -7.372 -1.755 32.362 1.00 1.00 O ATOM 1434 CB CYS A 96 -8.691 -4.900 31.952 1.00 1.00 C ATOM 1435 SG CYS A 96 -8.396 -4.867 33.749 1.00 1.00 S ATOM 0 H CYS A 96 -5.980 -3.698 32.169 1.00 1.00 H new ATOM 0 HA CYS A 96 -8.077 -3.835 30.164 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -9.748 -4.725 31.751 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -8.451 -5.888 31.559 1.00 1.00 H new ATOM 0 HG CYS A 96 -9.128 -5.774 34.326 1.00 1.00 H new ATOM 1441 N CYS A 97 -9.398 -1.963 31.410 1.00 1.00 N ATOM 1442 CA CYS A 97 -9.964 -0.681 31.831 1.00 1.00 C ATOM 1443 C CYS A 97 -11.475 -0.852 32.075 1.00 1.00 C ATOM 1444 O CYS A 97 -12.242 -0.838 31.109 1.00 1.00 O ATOM 1445 CB CYS A 97 -9.697 0.400 30.773 1.00 1.00 C ATOM 1446 SG CYS A 97 -10.440 2.001 31.195 1.00 1.00 S ATOM 0 H CYS A 97 -10.048 -2.506 30.841 1.00 1.00 H new ATOM 0 HA CYS A 97 -9.488 -0.360 32.757 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -8.621 0.525 30.652 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -10.089 0.065 29.812 1.00 1.00 H new ATOM 0 HG CYS A 97 -9.618 2.957 30.881 1.00 1.00 H new ATOM 1451 N PRO A 98 -11.942 -1.023 33.329 1.00 1.00 N ATOM 1452 CA PRO A 98 -13.368 -1.210 33.622 1.00 1.00 C ATOM 1453 C PRO A 98 -14.205 0.063 33.414 1.00 1.00 C ATOM 1454 O PRO A 98 -15.398 -0.035 33.127 1.00 1.00 O ATOM 1455 CB PRO A 98 -13.415 -1.699 35.074 1.00 1.00 C ATOM 1456 CG PRO A 98 -12.168 -1.080 35.702 1.00 1.00 C ATOM 1457 CD PRO A 98 -11.156 -1.081 34.557 1.00 1.00 C ATOM 0 HA PRO A 98 -13.815 -1.926 32.932 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -14.323 -1.370 35.579 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -13.395 -2.787 35.131 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -12.361 -0.071 36.067 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -11.814 -1.664 36.552 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -10.482 -0.227 34.630 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -10.538 -1.978 34.583 1.00 1.00 H new ATOM 1465 N VAL A 99 -13.597 1.257 33.502 1.00 1.00 N ATOM 1466 CA VAL A 99 -14.269 2.556 33.268 1.00 1.00 C ATOM 1467 C VAL A 99 -14.819 2.639 31.838 1.00 1.00 C ATOM 1468 O VAL A 99 -15.916 3.153 31.617 1.00 1.00 O ATOM 1469 CB VAL A 99 -13.312 3.740 33.542 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -14.012 5.099 33.402 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -12.723 3.675 34.959 1.00 1.00 C ATOM 0 H VAL A 99 -12.610 1.354 33.741 1.00 1.00 H new ATOM 0 HA VAL A 99 -15.104 2.623 33.966 1.00 1.00 H new ATOM 0 HB VAL A 99 -12.523 3.651 32.795 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -13.299 5.898 33.604 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -14.400 5.206 32.389 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -14.835 5.159 34.114 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -12.056 4.523 35.115 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -13.530 3.709 35.691 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -12.164 2.747 35.079 1.00 1.00 H new ATOM 1481 N CYS A 100 -14.074 2.095 30.873 1.00 1.00 N ATOM 1482 CA CYS A 100 -14.415 2.058 29.446 1.00 1.00 C ATOM 1483 C CYS A 100 -14.837 0.657 28.943 1.00 1.00 C ATOM 1484 O CYS A 100 -15.242 0.492 27.793 1.00 1.00 O ATOM 1485 CB CYS A 100 -13.186 2.553 28.690 1.00 1.00 C ATOM 1486 SG CYS A 100 -12.695 4.253 29.103 1.00 1.00 S ATOM 0 H CYS A 100 -13.178 1.649 31.071 1.00 1.00 H new ATOM 0 HA CYS A 100 -15.286 2.690 29.273 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -12.351 1.884 28.899 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -13.383 2.493 27.620 1.00 1.00 H new ATOM 0 HG CYS A 100 -12.325 4.872 28.022 1.00 1.00 H new ATOM 1491 N ASN A 101 -14.723 -0.339 29.821 1.00 1.00 N ATOM 1492 CA ASN A 101 -15.004 -1.766 29.646 1.00 1.00 C ATOM 1493 C ASN A 101 -14.249 -2.402 28.456 1.00 1.00 C ATOM 1494 O ASN A 101 -14.854 -2.889 27.497 1.00 1.00 O ATOM 1495 CB ASN A 101 -16.527 -2.001 29.667 1.00 1.00 C ATOM 1496 CG ASN A 101 -16.902 -3.477 29.730 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -16.176 -4.317 30.245 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -18.056 -3.843 29.219 1.00 1.00 N ATOM 0 H ASN A 101 -14.399 -0.148 30.769 1.00 1.00 H new ATOM 0 HA ASN A 101 -14.593 -2.313 30.495 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -16.957 -1.486 30.526 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -16.970 -1.557 28.775 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -18.341 -4.822 29.253 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -18.666 -3.148 28.788 1.00 1.00 H new ATOM 1505 N MET A 102 -12.912 -2.380 28.525 1.00 1.00 N ATOM 1506 CA MET A 102 -12.002 -2.918 27.495 1.00 1.00 C ATOM 1507 C MET A 102 -10.797 -3.681 28.079 1.00 1.00 C ATOM 1508 O MET A 102 -10.503 -3.599 29.274 1.00 1.00 O ATOM 1509 CB MET A 102 -11.489 -1.774 26.598 1.00 1.00 C ATOM 1510 CG MET A 102 -12.602 -1.101 25.791 1.00 1.00 C ATOM 1511 SD MET A 102 -12.016 -0.084 24.408 1.00 1.00 S ATOM 1512 CE MET A 102 -11.055 1.175 25.290 1.00 1.00 C ATOM 0 H MET A 102 -12.415 -1.977 29.320 1.00 1.00 H new ATOM 0 HA MET A 102 -12.585 -3.634 26.916 1.00 1.00 H new ATOM 0 HB2 MET A 102 -10.995 -1.026 27.219 1.00 1.00 H new ATOM 0 HB3 MET A 102 -10.737 -2.166 25.913 1.00 1.00 H new ATOM 0 HG2 MET A 102 -13.269 -1.871 25.403 1.00 1.00 H new ATOM 0 HG3 MET A 102 -13.193 -0.476 26.461 1.00 1.00 H new ATOM 0 HE1 MET A 102 -10.659 1.897 24.576 1.00 1.00 H new ATOM 0 HE2 MET A 102 -11.697 1.688 26.006 1.00 1.00 H new ATOM 0 HE3 MET A 102 -10.230 0.698 25.820 1.00 1.00 H new ATOM 1522 N THR A 103 -10.080 -4.397 27.205 1.00 1.00 N ATOM 1523 CA THR A 103 -8.862 -5.181 27.490 1.00 1.00 C ATOM 1524 C THR A 103 -7.758 -4.872 26.470 1.00 1.00 C ATOM 1525 O THR A 103 -8.038 -4.450 25.344 1.00 1.00 O ATOM 1526 CB THR A 103 -9.141 -6.695 27.523 1.00 1.00 C ATOM 1527 OG1 THR A 103 -9.770 -7.120 26.330 1.00 1.00 O ATOM 1528 CG2 THR A 103 -10.045 -7.087 28.693 1.00 1.00 C ATOM 0 H THR A 103 -10.346 -4.451 26.222 1.00 1.00 H new ATOM 0 HA THR A 103 -8.522 -4.884 28.482 1.00 1.00 H new ATOM 0 HB THR A 103 -8.171 -7.179 27.637 1.00 1.00 H new ATOM 0 HG1 THR A 103 -9.936 -8.085 26.373 1.00 1.00 H new ATOM 0 HG21 THR A 103 -10.215 -8.164 28.677 1.00 1.00 H new ATOM 0 HG22 THR A 103 -9.566 -6.809 29.632 1.00 1.00 H new ATOM 0 HG23 THR A 103 -10.999 -6.568 28.605 1.00 1.00 H new ATOM 1536 N PHE A 104 -6.494 -5.055 26.869 1.00 1.00 N ATOM 1537 CA PHE A 104 -5.301 -4.740 26.069 1.00 1.00 C ATOM 1538 C PHE A 104 -4.287 -5.896 26.040 1.00 1.00 C ATOM 1539 O PHE A 104 -4.139 -6.635 27.016 1.00 1.00 O ATOM 1540 CB PHE A 104 -4.648 -3.456 26.613 1.00 1.00 C ATOM 1541 CG PHE A 104 -5.629 -2.357 26.995 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -6.347 -1.667 25.999 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -5.856 -2.051 28.352 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -7.290 -0.688 26.356 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -6.784 -1.056 28.707 1.00 1.00 C ATOM 1546 CZ PHE A 104 -7.512 -0.384 27.711 1.00 1.00 C ATOM 0 H PHE A 104 -6.264 -5.438 27.786 1.00 1.00 H new ATOM 0 HA PHE A 104 -5.620 -4.585 25.038 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -4.050 -3.711 27.488 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -3.962 -3.067 25.861 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -6.172 -1.891 24.957 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -5.316 -2.582 29.121 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -7.845 -0.168 25.589 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -6.937 -0.808 29.747 1.00 1.00 H new ATOM 0 HZ PHE A 104 -8.241 0.365 27.985 1.00 1.00 H new ATOM 1556 N SER A 105 -3.574 -6.046 24.921 1.00 1.00 N ATOM 1557 CA SER A 105 -2.561 -7.094 24.706 1.00 1.00 C ATOM 1558 C SER A 105 -1.190 -6.809 25.342 1.00 1.00 C ATOM 1559 O SER A 105 -0.375 -7.727 25.466 1.00 1.00 O ATOM 1560 CB SER A 105 -2.373 -7.300 23.200 1.00 1.00 C ATOM 1561 OG SER A 105 -1.963 -6.081 22.610 1.00 1.00 O ATOM 0 H SER A 105 -3.685 -5.429 24.116 1.00 1.00 H new ATOM 0 HA SER A 105 -2.943 -7.986 25.202 1.00 1.00 H new ATOM 0 HB2 SER A 105 -1.628 -8.075 23.017 1.00 1.00 H new ATOM 0 HB3 SER A 105 -3.305 -7.641 22.749 1.00 1.00 H new ATOM 0 HG SER A 105 -1.840 -6.209 21.646 1.00 1.00 H new ATOM 1567 N SER A 106 -0.908 -5.564 25.744 1.00 1.00 N ATOM 1568 CA SER A 106 0.365 -5.152 26.359 1.00 1.00 C ATOM 1569 C SER A 106 0.211 -3.884 27.217 1.00 1.00 C ATOM 1570 O SER A 106 -0.762 -3.139 27.033 1.00 1.00 O ATOM 1571 CB SER A 106 1.421 -4.938 25.254 1.00 1.00 C ATOM 1572 OG SER A 106 1.648 -3.568 24.950 1.00 1.00 O ATOM 0 H SER A 106 -1.572 -4.795 25.650 1.00 1.00 H new ATOM 0 HA SER A 106 0.691 -5.947 27.030 1.00 1.00 H new ATOM 0 HB2 SER A 106 2.361 -5.394 25.566 1.00 1.00 H new ATOM 0 HB3 SER A 106 1.100 -5.455 24.350 1.00 1.00 H new ATOM 0 HG SER A 106 2.326 -3.497 24.246 1.00 1.00 H new ATOM 1578 N PRO A 107 1.169 -3.580 28.121 1.00 1.00 N ATOM 1579 CA PRO A 107 1.129 -2.361 28.927 1.00 1.00 C ATOM 1580 C PRO A 107 1.238 -1.094 28.064 1.00 1.00 C ATOM 1581 O PRO A 107 0.673 -0.065 28.428 1.00 1.00 O ATOM 1582 CB PRO A 107 2.290 -2.478 29.922 1.00 1.00 C ATOM 1583 CG PRO A 107 3.275 -3.413 29.224 1.00 1.00 C ATOM 1584 CD PRO A 107 2.366 -4.352 28.432 1.00 1.00 C ATOM 0 HA PRO A 107 0.175 -2.265 29.445 1.00 1.00 H new ATOM 0 HB2 PRO A 107 2.739 -1.507 30.129 1.00 1.00 H new ATOM 0 HB3 PRO A 107 1.959 -2.886 30.877 1.00 1.00 H new ATOM 0 HG2 PRO A 107 3.955 -2.866 28.571 1.00 1.00 H new ATOM 0 HG3 PRO A 107 3.890 -3.958 29.941 1.00 1.00 H new ATOM 0 HD2 PRO A 107 2.857 -4.695 27.521 1.00 1.00 H new ATOM 0 HD3 PRO A 107 2.118 -5.239 29.014 1.00 1.00 H new ATOM 1592 N VAL A 108 1.902 -1.153 26.901 1.00 1.00 N ATOM 1593 CA VAL A 108 2.000 -0.011 25.972 1.00 1.00 C ATOM 1594 C VAL A 108 0.657 0.215 25.272 1.00 1.00 C ATOM 1595 O VAL A 108 0.225 1.360 25.126 1.00 1.00 O ATOM 1596 CB VAL A 108 3.137 -0.201 24.949 1.00 1.00 C ATOM 1597 CG1 VAL A 108 3.296 1.030 24.046 1.00 1.00 C ATOM 1598 CG2 VAL A 108 4.473 -0.424 25.671 1.00 1.00 C ATOM 0 H VAL A 108 2.386 -1.990 26.576 1.00 1.00 H new ATOM 0 HA VAL A 108 2.244 0.878 26.554 1.00 1.00 H new ATOM 0 HB VAL A 108 2.874 -1.068 24.342 1.00 1.00 H new ATOM 0 HG11 VAL A 108 4.107 0.859 23.338 1.00 1.00 H new ATOM 0 HG12 VAL A 108 2.368 1.203 23.501 1.00 1.00 H new ATOM 0 HG13 VAL A 108 3.526 1.903 24.657 1.00 1.00 H new ATOM 0 HG21 VAL A 108 5.266 -0.557 24.935 1.00 1.00 H new ATOM 0 HG22 VAL A 108 4.698 0.441 26.295 1.00 1.00 H new ATOM 0 HG23 VAL A 108 4.405 -1.315 26.296 1.00 1.00 H new ATOM 1608 N VAL A 109 -0.047 -0.860 24.896 1.00 1.00 N ATOM 1609 CA VAL A 109 -1.399 -0.768 24.309 1.00 1.00 C ATOM 1610 C VAL A 109 -2.372 -0.182 25.346 1.00 1.00 C ATOM 1611 O VAL A 109 -3.174 0.693 25.013 1.00 1.00 O ATOM 1612 CB VAL A 109 -1.874 -2.135 23.777 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -3.278 -2.064 23.166 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -0.936 -2.629 22.664 1.00 1.00 C ATOM 0 H VAL A 109 0.298 -1.815 24.987 1.00 1.00 H new ATOM 0 HA VAL A 109 -1.369 -0.097 23.450 1.00 1.00 H new ATOM 0 HB VAL A 109 -1.877 -2.809 24.634 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -3.568 -3.051 22.805 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.988 -1.731 23.923 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.278 -1.360 22.334 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -1.283 -3.595 22.298 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -0.933 -1.910 21.845 1.00 1.00 H new ATOM 0 HG23 VAL A 109 0.075 -2.733 23.059 1.00 1.00 H new ATOM 1624 N ALA A 110 -2.258 -0.601 26.613 1.00 1.00 N ATOM 1625 CA ALA A 110 -3.046 -0.052 27.717 1.00 1.00 C ATOM 1626 C ALA A 110 -2.758 1.448 27.914 1.00 1.00 C ATOM 1627 O ALA A 110 -3.682 2.263 27.914 1.00 1.00 O ATOM 1628 CB ALA A 110 -2.751 -0.857 28.988 1.00 1.00 C ATOM 0 H ALA A 110 -1.611 -1.336 26.900 1.00 1.00 H new ATOM 0 HA ALA A 110 -4.107 -0.137 27.483 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -3.334 -0.455 29.817 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -3.020 -1.901 28.828 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -1.689 -0.788 29.224 1.00 1.00 H new ATOM 1634 N GLU A 111 -1.484 1.833 28.032 1.00 1.00 N ATOM 1635 CA GLU A 111 -1.073 3.234 28.194 1.00 1.00 C ATOM 1636 C GLU A 111 -1.543 4.109 27.026 1.00 1.00 C ATOM 1637 O GLU A 111 -1.982 5.232 27.262 1.00 1.00 O ATOM 1638 CB GLU A 111 0.454 3.334 28.351 1.00 1.00 C ATOM 1639 CG GLU A 111 0.947 2.931 29.749 1.00 1.00 C ATOM 1640 CD GLU A 111 0.685 4.042 30.787 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -0.400 4.050 31.416 1.00 1.00 O ATOM 1642 OE2 GLU A 111 1.571 4.909 30.983 1.00 1.00 O ATOM 0 H GLU A 111 -0.702 1.178 28.018 1.00 1.00 H new ATOM 0 HA GLU A 111 -1.551 3.608 29.100 1.00 1.00 H new ATOM 0 HB2 GLU A 111 0.932 2.697 27.607 1.00 1.00 H new ATOM 0 HB3 GLU A 111 0.768 4.357 28.143 1.00 1.00 H new ATOM 0 HG2 GLU A 111 0.446 2.015 30.062 1.00 1.00 H new ATOM 0 HG3 GLU A 111 2.014 2.713 29.710 1.00 1.00 H new ATOM 1649 N SER A 112 -1.529 3.600 25.787 1.00 1.00 N ATOM 1650 CA SER A 112 -2.011 4.334 24.602 1.00 1.00 C ATOM 1651 C SER A 112 -3.490 4.727 24.741 1.00 1.00 C ATOM 1652 O SER A 112 -3.886 5.815 24.320 1.00 1.00 O ATOM 1653 CB SER A 112 -1.821 3.507 23.323 1.00 1.00 C ATOM 1654 OG SER A 112 -0.457 3.193 23.102 1.00 1.00 O ATOM 0 H SER A 112 -1.183 2.665 25.574 1.00 1.00 H new ATOM 0 HA SER A 112 -1.415 5.244 24.531 1.00 1.00 H new ATOM 0 HB2 SER A 112 -2.400 2.586 23.395 1.00 1.00 H new ATOM 0 HB3 SER A 112 -2.210 4.062 22.469 1.00 1.00 H new ATOM 0 HG SER A 112 -0.159 2.542 23.771 1.00 1.00 H new ATOM 1660 N HIS A 113 -4.314 3.877 25.362 1.00 1.00 N ATOM 1661 CA HIS A 113 -5.704 4.206 25.675 1.00 1.00 C ATOM 1662 C HIS A 113 -5.798 5.184 26.868 1.00 1.00 C ATOM 1663 O HIS A 113 -6.465 6.215 26.764 1.00 1.00 O ATOM 1664 CB HIS A 113 -6.484 2.910 25.945 1.00 1.00 C ATOM 1665 CG HIS A 113 -7.810 3.164 26.614 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -8.953 3.656 26.025 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -8.051 3.093 27.960 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -9.858 3.874 26.987 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -9.357 3.534 28.185 1.00 1.00 N ATOM 0 H HIS A 113 -4.034 2.943 25.661 1.00 1.00 H new ATOM 0 HA HIS A 113 -6.150 4.714 24.820 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -6.650 2.387 25.003 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -5.883 2.252 26.574 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -9.087 3.825 25.028 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -7.355 2.756 28.714 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -10.850 4.268 26.823 1.00 1.00 H new ATOM 1677 N TYR A 114 -5.125 4.883 27.990 1.00 1.00 N ATOM 1678 CA TYR A 114 -5.171 5.690 29.221 1.00 1.00 C ATOM 1679 C TYR A 114 -4.687 7.144 29.060 1.00 1.00 C ATOM 1680 O TYR A 114 -5.302 8.049 29.628 1.00 1.00 O ATOM 1681 CB TYR A 114 -4.385 4.997 30.348 1.00 1.00 C ATOM 1682 CG TYR A 114 -5.135 3.888 31.071 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -6.213 4.215 31.917 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -4.734 2.544 30.945 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -6.893 3.202 32.624 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -5.435 1.524 31.616 1.00 1.00 C ATOM 1687 CZ TYR A 114 -6.513 1.855 32.463 1.00 1.00 C ATOM 1688 OH TYR A 114 -7.174 0.878 33.136 1.00 1.00 O ATOM 0 H TYR A 114 -4.526 4.062 28.069 1.00 1.00 H new ATOM 0 HA TYR A 114 -6.228 5.758 29.478 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -3.469 4.581 29.928 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -4.088 5.750 31.078 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -6.520 5.245 32.024 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -3.883 2.294 30.329 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -7.705 3.459 33.289 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -5.148 0.491 31.483 1.00 1.00 H new ATOM 0 HH TYR A 114 -7.092 0.032 32.648 1.00 1.00 H new ATOM 1698 N ILE A 115 -3.606 7.390 28.306 1.00 1.00 N ATOM 1699 CA ILE A 115 -3.068 8.750 28.090 1.00 1.00 C ATOM 1700 C ILE A 115 -3.873 9.565 27.063 1.00 1.00 C ATOM 1701 O ILE A 115 -3.732 10.789 27.006 1.00 1.00 O ATOM 1702 CB ILE A 115 -1.564 8.735 27.724 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -1.246 8.115 26.341 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -0.754 8.047 28.837 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -1.053 9.161 25.239 1.00 1.00 C ATOM 0 H ILE A 115 -3.079 6.659 27.829 1.00 1.00 H new ATOM 0 HA ILE A 115 -3.175 9.256 29.049 1.00 1.00 H new ATOM 0 HB ILE A 115 -1.265 9.780 27.641 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -0.343 7.510 26.421 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -2.056 7.443 26.057 1.00 1.00 H new ATOM 0 HG21 ILE A 115 0.302 8.042 28.568 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -0.888 8.589 29.773 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -1.102 7.021 28.959 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -0.833 8.660 24.296 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -1.964 9.750 25.133 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -0.224 9.818 25.502 1.00 1.00 H new ATOM 1717 N GLY A 116 -4.722 8.910 26.262 1.00 1.00 N ATOM 1718 CA GLY A 116 -5.549 9.562 25.249 1.00 1.00 C ATOM 1719 C GLY A 116 -6.772 10.275 25.826 1.00 1.00 C ATOM 1720 O GLY A 116 -7.299 9.911 26.883 1.00 1.00 O ATOM 0 H GLY A 116 -4.853 7.899 26.303 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -4.941 10.284 24.705 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -5.881 8.816 24.527 1.00 1.00 H new ATOM 1724 N LYS A 117 -7.265 11.288 25.101 1.00 1.00 N ATOM 1725 CA LYS A 117 -8.452 12.074 25.492 1.00 1.00 C ATOM 1726 C LYS A 117 -9.713 11.210 25.626 1.00 1.00 C ATOM 1727 O LYS A 117 -10.599 11.543 26.405 1.00 1.00 O ATOM 1728 CB LYS A 117 -8.693 13.236 24.507 1.00 1.00 C ATOM 1729 CG LYS A 117 -7.478 14.152 24.257 1.00 1.00 C ATOM 1730 CD LYS A 117 -6.884 14.828 25.504 1.00 1.00 C ATOM 1731 CE LYS A 117 -7.891 15.758 26.196 1.00 1.00 C ATOM 1732 NZ LYS A 117 -7.248 16.553 27.278 1.00 1.00 N ATOM 0 H LYS A 117 -6.851 11.591 24.219 1.00 1.00 H new ATOM 0 HA LYS A 117 -8.242 12.487 26.478 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -9.016 12.820 23.553 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -9.515 13.845 24.884 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -6.695 13.564 23.778 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -7.771 14.928 23.550 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -6.555 14.063 26.208 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -6.001 15.400 25.219 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -8.330 16.432 25.460 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -8.706 15.167 26.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -7.957 17.170 27.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -6.851 15.910 27.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -6.487 17.136 26.875 1.00 1.00 H new ATOM 1746 N THR A 118 -9.785 10.090 24.906 1.00 1.00 N ATOM 1747 CA THR A 118 -10.902 9.128 24.930 1.00 1.00 C ATOM 1748 C THR A 118 -11.177 8.589 26.339 1.00 1.00 C ATOM 1749 O THR A 118 -12.332 8.536 26.767 1.00 1.00 O ATOM 1750 CB THR A 118 -10.610 7.965 23.967 1.00 1.00 C ATOM 1751 OG1 THR A 118 -10.092 8.476 22.756 1.00 1.00 O ATOM 1752 CG2 THR A 118 -11.856 7.151 23.632 1.00 1.00 C ATOM 0 H THR A 118 -9.042 9.812 24.264 1.00 1.00 H new ATOM 0 HA THR A 118 -11.798 9.659 24.608 1.00 1.00 H new ATOM 0 HB THR A 118 -9.896 7.313 24.470 1.00 1.00 H new ATOM 0 HG1 THR A 118 -9.196 8.110 22.603 1.00 1.00 H new ATOM 0 HG21 THR A 118 -11.591 6.344 22.949 1.00 1.00 H new ATOM 0 HG22 THR A 118 -12.272 6.730 24.547 1.00 1.00 H new ATOM 0 HG23 THR A 118 -12.597 7.797 23.160 1.00 1.00 H new ATOM 1760 N HIS A 119 -10.131 8.244 27.101 1.00 1.00 N ATOM 1761 CA HIS A 119 -10.282 7.801 28.494 1.00 1.00 C ATOM 1762 C HIS A 119 -10.744 8.959 29.388 1.00 1.00 C ATOM 1763 O HIS A 119 -11.644 8.793 30.208 1.00 1.00 O ATOM 1764 CB HIS A 119 -8.963 7.210 29.006 1.00 1.00 C ATOM 1765 CG HIS A 119 -9.082 6.694 30.419 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -9.696 5.496 30.793 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -8.649 7.339 31.542 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -9.620 5.447 32.133 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -8.994 6.538 32.608 1.00 1.00 N ATOM 0 H HIS A 119 -9.165 8.263 26.774 1.00 1.00 H new ATOM 0 HA HIS A 119 -11.047 7.025 28.530 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -8.651 6.398 28.349 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -8.184 7.972 28.963 1.00 1.00 H new ATOM 0 HD1 HIS A 119 -10.116 4.801 30.175 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -8.137 8.289 31.586 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -10.007 4.644 32.743 1.00 1.00 H new ATOM 1777 N ILE A 120 -10.171 10.154 29.199 1.00 1.00 N ATOM 1778 CA ILE A 120 -10.517 11.373 29.951 1.00 1.00 C ATOM 1779 C ILE A 120 -11.993 11.759 29.748 1.00 1.00 C ATOM 1780 O ILE A 120 -12.683 12.079 30.717 1.00 1.00 O ATOM 1781 CB ILE A 120 -9.518 12.509 29.632 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -8.103 12.050 30.068 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -9.912 13.815 30.347 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -6.980 13.052 29.776 1.00 1.00 C ATOM 0 H ILE A 120 -9.439 10.307 28.506 1.00 1.00 H new ATOM 0 HA ILE A 120 -10.419 11.174 31.018 1.00 1.00 H new ATOM 0 HB ILE A 120 -9.530 12.715 28.562 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -8.117 11.845 31.138 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -7.871 11.110 29.566 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -9.191 14.595 30.103 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -10.905 14.124 30.020 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -9.920 13.652 31.425 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -6.029 12.642 30.116 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -6.931 13.241 28.704 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -7.181 13.986 30.300 1.00 1.00 H new ATOM 1796 N LYS A 121 -12.519 11.661 28.519 1.00 1.00 N ATOM 1797 CA LYS A 121 -13.944 11.893 28.213 1.00 1.00 C ATOM 1798 C LYS A 121 -14.849 10.907 28.965 1.00 1.00 C ATOM 1799 O LYS A 121 -15.910 11.294 29.455 1.00 1.00 O ATOM 1800 CB LYS A 121 -14.173 11.808 26.694 1.00 1.00 C ATOM 1801 CG LYS A 121 -13.634 13.052 25.968 1.00 1.00 C ATOM 1802 CD LYS A 121 -13.737 12.892 24.447 1.00 1.00 C ATOM 1803 CE LYS A 121 -13.185 14.106 23.684 1.00 1.00 C ATOM 1804 NZ LYS A 121 -14.048 15.311 23.826 1.00 1.00 N ATOM 0 H LYS A 121 -11.964 11.416 27.699 1.00 1.00 H new ATOM 0 HA LYS A 121 -14.210 12.894 28.553 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -13.684 10.917 26.301 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -15.239 11.702 26.492 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -14.195 13.932 26.283 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -12.594 13.219 26.250 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -13.193 11.998 24.142 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -14.781 12.739 24.172 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -12.184 14.335 24.049 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.090 13.854 22.628 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -13.632 16.101 23.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -14.997 15.104 23.454 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.119 15.571 24.831 1.00 1.00 H new ATOM 1818 N ASN A 122 -14.411 9.654 29.123 1.00 1.00 N ATOM 1819 CA ASN A 122 -15.136 8.648 29.904 1.00 1.00 C ATOM 1820 C ASN A 122 -15.146 8.980 31.412 1.00 1.00 C ATOM 1821 O ASN A 122 -16.119 8.641 32.084 1.00 1.00 O ATOM 1822 CB ASN A 122 -14.596 7.238 29.607 1.00 1.00 C ATOM 1823 CG ASN A 122 -15.209 6.651 28.346 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -16.219 5.963 28.388 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -14.647 6.907 27.187 1.00 1.00 N ATOM 0 H ASN A 122 -13.543 9.309 28.713 1.00 1.00 H new ATOM 0 HA ASN A 122 -16.180 8.666 29.592 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -13.512 7.280 29.499 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -14.807 6.583 30.452 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -15.053 6.533 26.329 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -13.804 7.480 27.144 1.00 1.00 H new