USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=29 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 -130:sc= 0.514 USER MOD Set 1.2: A 100 CYS SG : rot -130:sc= -0.255 USER MOD Set 1.3: A 113 HIS : no HD1:sc= -0.536 X(o=0.68,f=0.77) USER MOD Set 1.4: A 114 TYR OH : rot 65:sc= 0.0605 USER MOD Set 1.5: A 119 HIS : no HD1:sc= 0 X(o=0.68,f=0.48) USER MOD Set 1.6: A 122 ASN : amide:sc= 0.895 K(o=0.68,f=-0.15) USER MOD Set 2.1: A 36 CYS SG : rot -132:sc= 0.13 USER MOD Set 2.2: A 39 CYS SG : rot 131:sc= 0.309 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.433 K(o=0.036,f=-0.73) USER MOD Set 2.4: A 58 HIS : no HD1:sc= 0.0288 X(o=0.036,f=-0.43) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.45) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.725 K(o=3.9,f=-4!) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -149:sc= 3.14 (180deg=0.902) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.798) USER MOD Single : A 22 SER OG : rot 77:sc= 0.901 USER MOD Single : A 27 ASN : amide:sc= 0.819 K(o=0.82,f=-0.0025) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.349 K(o=0.35,f=-2.8!) USER MOD Single : A 32 SER OG : rot -47:sc= 0.87 USER MOD Single : A 34 THR OG1 : rot 32:sc= 0.877 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0.878 (180deg=0.868) USER MOD Single : A 40 SER OG : rot 17:sc= 0.474 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -164:sc= 0.906 USER MOD Single : A 54 GLN : amide:sc= 0.909 K(o=0.91,f=-0.34) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.939 (180deg=0.924) USER MOD Single : A 94 SER OG : rot -28:sc= 0.0215 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0.552 (180deg=0.541) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00936 K(o=-0.0094,f=-0.74) USER MOD Single : A 102 MET CE :methyl -176:sc=-0.00422 (180deg=-0.0229) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 112 SER OG : rot 76:sc= 0.873 USER MOD Single : A 117 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00422) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00198 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.896 8.231 15.531 1.00 1.00 N ATOM 189 CA GLY A 16 -17.715 7.740 16.900 1.00 1.00 C ATOM 190 C GLY A 16 -16.776 6.533 17.019 1.00 1.00 C ATOM 191 O GLY A 16 -16.439 5.864 16.037 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.325 8.551 17.516 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.689 7.470 17.308 1.00 1.00 H new ATOM 195 N LYS A 17 -16.351 6.250 18.257 1.00 1.00 N ATOM 196 CA LYS A 17 -15.426 5.158 18.609 1.00 1.00 C ATOM 197 C LYS A 17 -15.890 3.774 18.150 1.00 1.00 C ATOM 198 O LYS A 17 -15.073 2.994 17.666 1.00 1.00 O ATOM 199 CB LYS A 17 -15.154 5.230 20.122 1.00 1.00 C ATOM 200 CG LYS A 17 -14.214 4.125 20.626 1.00 1.00 C ATOM 201 CD LYS A 17 -13.759 4.408 22.063 1.00 1.00 C ATOM 202 CE LYS A 17 -12.929 3.224 22.562 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.384 3.454 23.922 1.00 1.00 N ATOM 0 H LYS A 17 -16.649 6.790 19.069 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.495 5.302 18.061 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.721 6.202 20.360 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.101 5.163 20.657 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.723 3.162 20.584 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.345 4.055 19.972 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.169 5.324 22.098 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -14.624 4.561 22.709 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -13.547 2.326 22.567 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.107 3.041 21.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -12.305 2.546 24.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -11.444 3.893 23.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -13.021 4.085 24.449 1.00 1.00 H new ATOM 217 N ASP A 18 -17.184 3.474 18.257 1.00 1.00 N ATOM 218 CA ASP A 18 -17.755 2.190 17.820 1.00 1.00 C ATOM 219 C ASP A 18 -17.563 1.958 16.311 1.00 1.00 C ATOM 220 O ASP A 18 -17.150 0.871 15.898 1.00 1.00 O ATOM 221 CB ASP A 18 -19.245 2.129 18.184 1.00 1.00 C ATOM 222 CG ASP A 18 -19.465 2.105 19.705 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.365 1.014 20.315 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.743 3.178 20.294 1.00 1.00 O ATOM 0 H ASP A 18 -17.873 4.115 18.651 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.221 1.395 18.341 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.758 2.991 17.757 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.691 1.240 17.739 1.00 1.00 H new ATOM 229 N ALA A 19 -17.806 2.985 15.486 1.00 1.00 N ATOM 230 CA ALA A 19 -17.609 2.909 14.039 1.00 1.00 C ATOM 231 C ALA A 19 -16.122 2.769 13.681 1.00 1.00 C ATOM 232 O ALA A 19 -15.774 1.940 12.841 1.00 1.00 O ATOM 233 CB ALA A 19 -18.211 4.151 13.373 1.00 1.00 C ATOM 0 H ALA A 19 -18.145 3.892 15.807 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.117 2.019 13.668 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.063 4.093 12.295 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.278 4.200 13.591 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.720 5.045 13.759 1.00 1.00 H new ATOM 239 N VAL A 20 -15.238 3.541 14.327 1.00 1.00 N ATOM 240 CA VAL A 20 -13.784 3.464 14.090 1.00 1.00 C ATOM 241 C VAL A 20 -13.235 2.085 14.471 1.00 1.00 C ATOM 242 O VAL A 20 -12.518 1.479 13.678 1.00 1.00 O ATOM 243 CB VAL A 20 -13.038 4.594 14.826 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.516 4.416 14.742 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.386 5.955 14.210 1.00 1.00 C ATOM 0 H VAL A 20 -15.505 4.234 15.026 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.612 3.602 13.023 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.352 4.551 15.869 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.024 5.232 15.272 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.235 3.466 15.197 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.206 4.424 13.697 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.851 6.742 14.741 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.095 5.964 13.159 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.459 6.127 14.291 1.00 1.00 H new ATOM 255 N ASN A 21 -13.602 1.541 15.637 1.00 1.00 N ATOM 256 CA ASN A 21 -13.177 0.199 16.048 1.00 1.00 C ATOM 257 C ASN A 21 -13.683 -0.870 15.061 1.00 1.00 C ATOM 258 O ASN A 21 -12.917 -1.750 14.666 1.00 1.00 O ATOM 259 CB ASN A 21 -13.650 -0.088 17.485 1.00 1.00 C ATOM 260 CG ASN A 21 -12.828 0.596 18.569 1.00 1.00 C ATOM 261 OD1 ASN A 21 -11.736 1.113 18.363 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.312 0.586 19.788 1.00 1.00 N ATOM 0 H ASN A 21 -14.197 2.014 16.317 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.088 0.158 16.034 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -14.689 0.227 17.582 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -13.626 -1.165 17.654 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -12.781 1.005 20.551 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -14.220 0.159 19.973 1.00 1.00 H new ATOM 269 N SER A 22 -14.942 -0.778 14.617 1.00 1.00 N ATOM 270 CA SER A 22 -15.505 -1.712 13.627 1.00 1.00 C ATOM 271 C SER A 22 -14.757 -1.626 12.289 1.00 1.00 C ATOM 272 O SER A 22 -14.385 -2.653 11.723 1.00 1.00 O ATOM 273 CB SER A 22 -16.997 -1.438 13.395 1.00 1.00 C ATOM 274 OG SER A 22 -17.736 -1.586 14.598 1.00 1.00 O ATOM 0 H SER A 22 -15.597 -0.061 14.929 1.00 1.00 H new ATOM 0 HA SER A 22 -15.386 -2.717 14.032 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.128 -0.428 13.005 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.383 -2.124 12.641 1.00 1.00 H new ATOM 0 HG SER A 22 -17.605 -0.795 15.162 1.00 1.00 H new ATOM 280 N LEU A 23 -14.468 -0.409 11.812 1.00 1.00 N ATOM 281 CA LEU A 23 -13.715 -0.152 10.580 1.00 1.00 C ATOM 282 C LEU A 23 -12.298 -0.743 10.645 1.00 1.00 C ATOM 283 O LEU A 23 -11.848 -1.347 9.670 1.00 1.00 O ATOM 284 CB LEU A 23 -13.703 1.370 10.336 1.00 1.00 C ATOM 285 CG LEU A 23 -13.073 1.817 9.006 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.903 1.368 7.802 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.001 3.343 8.974 1.00 1.00 C ATOM 0 H LEU A 23 -14.760 0.446 12.285 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.199 -0.649 9.739 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.729 1.736 10.374 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.164 1.848 11.154 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.084 1.364 8.944 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.423 1.704 6.883 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.977 0.281 7.796 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.902 1.799 7.868 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.555 3.667 8.033 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.006 3.757 9.061 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.391 3.696 9.805 1.00 1.00 H new ATOM 299 N ILE A 24 -11.619 -0.612 11.791 1.00 1.00 N ATOM 300 CA ILE A 24 -10.291 -1.194 12.033 1.00 1.00 C ATOM 301 C ILE A 24 -10.367 -2.728 11.962 1.00 1.00 C ATOM 302 O ILE A 24 -9.580 -3.342 11.242 1.00 1.00 O ATOM 303 CB ILE A 24 -9.724 -0.710 13.393 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.338 0.786 13.334 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.494 -1.537 13.810 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.161 1.413 14.726 1.00 1.00 C ATOM 0 H ILE A 24 -11.981 -0.091 12.589 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.606 -0.856 11.256 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.511 -0.846 14.135 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.411 0.895 12.771 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.107 1.333 12.790 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.119 -1.174 14.767 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.776 -2.586 13.905 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.715 -1.437 13.054 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.891 2.464 14.620 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.095 1.333 15.283 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.372 0.888 15.264 1.00 1.00 H new ATOM 318 N ARG A 25 -11.316 -3.357 12.674 1.00 1.00 N ATOM 319 CA ARG A 25 -11.495 -4.825 12.686 1.00 1.00 C ATOM 320 C ARG A 25 -11.837 -5.396 11.305 1.00 1.00 C ATOM 321 O ARG A 25 -11.282 -6.421 10.913 1.00 1.00 O ATOM 322 CB ARG A 25 -12.554 -5.232 13.732 1.00 1.00 C ATOM 323 CG ARG A 25 -11.963 -5.571 15.110 1.00 1.00 C ATOM 324 CD ARG A 25 -11.252 -4.400 15.804 1.00 1.00 C ATOM 325 NE ARG A 25 -10.680 -4.804 17.105 1.00 1.00 N ATOM 326 CZ ARG A 25 -11.290 -4.824 18.278 1.00 1.00 C ATOM 327 NH1 ARG A 25 -12.544 -4.493 18.419 1.00 1.00 N ATOM 328 NH2 ARG A 25 -10.643 -5.185 19.348 1.00 1.00 N ATOM 0 H ARG A 25 -11.986 -2.862 13.262 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.535 -5.259 12.967 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.272 -4.420 13.844 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.106 -6.096 13.361 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -12.764 -5.928 15.757 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -11.256 -6.393 14.996 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -10.459 -4.022 15.159 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -11.958 -3.583 15.954 1.00 1.00 H new ATOM 0 HE ARG A 25 -9.704 -5.101 17.097 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -13.090 -4.206 17.607 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -12.978 -4.522 19.341 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -9.661 -5.454 19.284 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -11.118 -5.199 20.251 1.00 1.00 H new ATOM 342 N GLU A 26 -12.718 -4.736 10.553 1.00 1.00 N ATOM 343 CA GLU A 26 -13.119 -5.150 9.197 1.00 1.00 C ATOM 344 C GLU A 26 -12.013 -4.960 8.135 1.00 1.00 C ATOM 345 O GLU A 26 -12.122 -5.504 7.033 1.00 1.00 O ATOM 346 CB GLU A 26 -14.394 -4.397 8.776 1.00 1.00 C ATOM 347 CG GLU A 26 -15.635 -4.908 9.523 1.00 1.00 C ATOM 348 CD GLU A 26 -16.909 -4.185 9.043 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.528 -4.640 8.049 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.313 -3.169 9.659 1.00 1.00 O ATOM 0 H GLU A 26 -13.183 -3.885 10.868 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.311 -6.222 9.246 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.267 -3.332 8.970 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.544 -4.510 7.702 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.741 -5.981 9.366 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.507 -4.754 10.594 1.00 1.00 H new ATOM 357 N ASN A 27 -10.949 -4.209 8.448 1.00 1.00 N ATOM 358 CA ASN A 27 -9.824 -3.911 7.549 1.00 1.00 C ATOM 359 C ASN A 27 -8.457 -4.113 8.239 1.00 1.00 C ATOM 360 O ASN A 27 -7.515 -3.350 8.011 1.00 1.00 O ATOM 361 CB ASN A 27 -9.992 -2.486 6.996 1.00 1.00 C ATOM 362 CG ASN A 27 -11.270 -2.289 6.203 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.346 -2.577 5.017 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.308 -1.792 6.835 1.00 1.00 N ATOM 0 H ASN A 27 -10.843 -3.777 9.366 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.837 -4.617 6.718 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.976 -1.779 7.826 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.139 -2.249 6.360 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.186 -1.644 6.337 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.237 -1.554 7.824 1.00 1.00 H new ATOM 371 N SER A 28 -8.343 -5.133 9.098 1.00 1.00 N ATOM 372 CA SER A 28 -7.134 -5.463 9.880 1.00 1.00 C ATOM 373 C SER A 28 -5.836 -5.615 9.065 1.00 1.00 C ATOM 374 O SER A 28 -4.737 -5.507 9.615 1.00 1.00 O ATOM 375 CB SER A 28 -7.385 -6.724 10.712 1.00 1.00 C ATOM 376 OG SER A 28 -7.684 -7.831 9.873 1.00 1.00 O ATOM 0 H SER A 28 -9.114 -5.777 9.278 1.00 1.00 H new ATOM 0 HA SER A 28 -6.961 -4.597 10.519 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.506 -6.947 11.317 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.211 -6.551 11.402 1.00 1.00 H new ATOM 0 HG SER A 28 -7.839 -8.626 10.424 1.00 1.00 H new ATOM 382 N HIS A 29 -5.940 -5.838 7.751 1.00 1.00 N ATOM 383 CA HIS A 29 -4.820 -5.944 6.810 1.00 1.00 C ATOM 384 C HIS A 29 -4.184 -4.588 6.447 1.00 1.00 C ATOM 385 O HIS A 29 -3.026 -4.566 6.022 1.00 1.00 O ATOM 386 CB HIS A 29 -5.307 -6.673 5.544 1.00 1.00 C ATOM 387 CG HIS A 29 -6.410 -5.975 4.775 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.648 -5.574 5.293 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.376 -5.671 3.445 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.322 -5.029 4.264 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.580 -5.072 3.145 1.00 1.00 N ATOM 0 H HIS A 29 -6.845 -5.954 7.295 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.030 -6.511 7.303 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.456 -6.815 4.877 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.658 -7.665 5.829 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.563 -5.863 2.760 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.318 -4.616 4.328 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.860 -4.721 2.229 1.00 1.00 H new ATOM 399 N ILE A 30 -4.903 -3.469 6.626 1.00 1.00 N ATOM 400 CA ILE A 30 -4.452 -2.099 6.293 1.00 1.00 C ATOM 401 C ILE A 30 -4.648 -1.057 7.408 1.00 1.00 C ATOM 402 O ILE A 30 -3.964 -0.032 7.400 1.00 1.00 O ATOM 403 CB ILE A 30 -5.110 -1.598 4.985 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.655 -1.638 5.054 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.554 -2.373 3.780 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.368 -1.041 3.835 1.00 1.00 C ATOM 0 H ILE A 30 -5.844 -3.488 7.018 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.374 -2.194 6.162 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.850 -0.548 4.855 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.973 -2.674 5.172 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.979 -1.102 5.946 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -5.025 -2.011 2.866 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.476 -2.223 3.717 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.766 -3.435 3.901 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.447 -1.113 3.973 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.085 0.006 3.725 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -7.079 -1.591 2.939 1.00 1.00 H new ATOM 418 N PHE A 31 -5.527 -1.311 8.377 1.00 1.00 N ATOM 419 CA PHE A 31 -5.802 -0.444 9.529 1.00 1.00 C ATOM 420 C PHE A 31 -5.570 -1.230 10.827 1.00 1.00 C ATOM 421 O PHE A 31 -5.777 -2.445 10.882 1.00 1.00 O ATOM 422 CB PHE A 31 -7.267 0.040 9.499 1.00 1.00 C ATOM 423 CG PHE A 31 -7.773 0.804 8.282 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.914 1.525 7.428 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.157 0.808 8.022 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.427 2.177 6.292 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.672 1.458 6.888 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.804 2.132 6.014 1.00 1.00 C ATOM 0 H PHE A 31 -6.092 -2.161 8.384 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.135 0.417 9.484 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.904 -0.835 9.625 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.421 0.675 10.372 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.858 1.577 7.647 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.830 0.306 8.702 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.761 2.713 5.632 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.733 1.439 6.689 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.194 2.615 5.130 1.00 1.00 H new ATOM 438 N SER A 32 -5.163 -0.539 11.889 1.00 1.00 N ATOM 439 CA SER A 32 -4.931 -1.123 13.216 1.00 1.00 C ATOM 440 C SER A 32 -5.165 -0.100 14.332 1.00 1.00 C ATOM 441 O SER A 32 -5.297 1.103 14.090 1.00 1.00 O ATOM 442 CB SER A 32 -3.517 -1.712 13.308 1.00 1.00 C ATOM 443 OG SER A 32 -2.547 -0.687 13.364 1.00 1.00 O ATOM 0 H SER A 32 -4.980 0.464 11.855 1.00 1.00 H new ATOM 0 HA SER A 32 -5.653 -1.929 13.352 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.438 -2.342 14.194 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.328 -2.351 12.445 1.00 1.00 H new ATOM 0 HG SER A 32 -2.737 -0.018 12.673 1.00 1.00 H new ATOM 449 N ASP A 33 -5.191 -0.582 15.575 1.00 1.00 N ATOM 450 CA ASP A 33 -5.379 0.225 16.787 1.00 1.00 C ATOM 451 C ASP A 33 -4.292 1.304 17.005 1.00 1.00 C ATOM 452 O ASP A 33 -4.487 2.211 17.816 1.00 1.00 O ATOM 453 CB ASP A 33 -5.429 -0.748 17.975 1.00 1.00 C ATOM 454 CG ASP A 33 -5.876 -0.075 19.280 1.00 1.00 C ATOM 455 OD1 ASP A 33 -7.024 0.427 19.320 1.00 1.00 O ATOM 456 OD2 ASP A 33 -5.108 -0.092 20.272 1.00 1.00 O ATOM 0 H ASP A 33 -5.078 -1.576 15.775 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.306 0.789 16.684 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.112 -1.565 17.741 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.443 -1.189 18.119 1.00 1.00 H new ATOM 461 N THR A 34 -3.152 1.223 16.299 1.00 1.00 N ATOM 462 CA THR A 34 -2.024 2.165 16.447 1.00 1.00 C ATOM 463 C THR A 34 -1.281 2.517 15.139 1.00 1.00 C ATOM 464 O THR A 34 -0.232 3.160 15.177 1.00 1.00 O ATOM 465 CB THR A 34 -1.081 1.655 17.552 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.207 2.648 18.046 1.00 1.00 O ATOM 467 CG2 THR A 34 -0.239 0.466 17.094 1.00 1.00 C ATOM 0 H THR A 34 -2.984 0.497 15.603 1.00 1.00 H new ATOM 0 HA THR A 34 -2.450 3.123 16.743 1.00 1.00 H new ATOM 0 HB THR A 34 -1.751 1.347 18.355 1.00 1.00 H new ATOM 0 HG1 THR A 34 -0.648 3.522 18.005 1.00 1.00 H new ATOM 0 HG21 THR A 34 0.409 0.144 17.909 1.00 1.00 H new ATOM 0 HG22 THR A 34 -0.895 -0.355 16.806 1.00 1.00 H new ATOM 0 HG23 THR A 34 0.371 0.760 16.240 1.00 1.00 H new ATOM 475 N GLN A 35 -1.796 2.149 13.960 1.00 1.00 N ATOM 476 CA GLN A 35 -1.175 2.484 12.665 1.00 1.00 C ATOM 477 C GLN A 35 -2.151 2.339 11.483 1.00 1.00 C ATOM 478 O GLN A 35 -2.921 1.379 11.425 1.00 1.00 O ATOM 479 CB GLN A 35 0.045 1.558 12.439 1.00 1.00 C ATOM 480 CG GLN A 35 0.916 1.947 11.232 1.00 1.00 C ATOM 481 CD GLN A 35 2.114 1.013 11.049 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.013 -0.206 11.106 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.298 1.538 10.809 1.00 1.00 N ATOM 0 H GLN A 35 -2.657 1.609 13.873 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.871 3.530 12.705 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.663 1.565 13.337 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.309 0.536 12.303 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.307 1.932 10.328 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.272 2.969 11.360 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.406 2.551 10.757 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.107 0.932 10.675 1.00 1.00 H new ATOM 492 N CYS A 36 -2.049 3.240 10.503 1.00 1.00 N ATOM 493 CA CYS A 36 -2.799 3.199 9.239 1.00 1.00 C ATOM 494 C CYS A 36 -1.798 3.047 8.081 1.00 1.00 C ATOM 495 O CYS A 36 -0.995 3.951 7.835 1.00 1.00 O ATOM 496 CB CYS A 36 -3.624 4.485 9.071 1.00 1.00 C ATOM 497 SG CYS A 36 -4.544 4.585 7.509 1.00 1.00 S ATOM 0 H CYS A 36 -1.424 4.044 10.566 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.488 2.354 9.242 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.328 4.561 9.899 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.956 5.343 9.141 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.338 5.744 6.958 1.00 1.00 H new ATOM 502 N LYS A 37 -1.831 1.918 7.359 1.00 1.00 N ATOM 503 CA LYS A 37 -0.917 1.642 6.231 1.00 1.00 C ATOM 504 C LYS A 37 -1.255 2.450 4.978 1.00 1.00 C ATOM 505 O LYS A 37 -0.344 2.901 4.288 1.00 1.00 O ATOM 506 CB LYS A 37 -0.923 0.148 5.879 1.00 1.00 C ATOM 507 CG LYS A 37 -0.543 -0.760 7.058 1.00 1.00 C ATOM 508 CD LYS A 37 -0.362 -2.191 6.545 1.00 1.00 C ATOM 509 CE LYS A 37 -0.299 -3.195 7.701 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.372 -4.591 7.195 1.00 1.00 N ATOM 0 H LYS A 37 -2.494 1.164 7.538 1.00 1.00 H new ATOM 0 HA LYS A 37 0.075 1.945 6.567 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.915 -0.129 5.522 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.228 -0.027 5.057 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.377 -0.407 7.524 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.319 -0.729 7.823 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.188 -2.449 5.882 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.552 -2.255 5.955 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.626 -3.054 8.260 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.121 -3.011 8.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.276 -5.254 7.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.288 -4.743 6.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.397 -4.754 6.514 1.00 1.00 H new ATOM 524 N VAL A 38 -2.545 2.680 4.705 1.00 1.00 N ATOM 525 CA VAL A 38 -3.017 3.476 3.549 1.00 1.00 C ATOM 526 C VAL A 38 -2.395 4.875 3.551 1.00 1.00 C ATOM 527 O VAL A 38 -1.929 5.352 2.517 1.00 1.00 O ATOM 528 CB VAL A 38 -4.558 3.560 3.529 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.085 4.528 2.467 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.158 2.181 3.247 1.00 1.00 C ATOM 0 H VAL A 38 -3.304 2.318 5.282 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.694 2.967 2.641 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.855 3.927 4.511 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.174 4.546 2.499 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.700 5.529 2.663 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.757 4.200 1.481 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.246 2.253 3.235 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.808 1.823 2.279 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.849 1.484 4.026 1.00 1.00 H new ATOM 540 N CYS A 39 -2.345 5.508 4.724 1.00 1.00 N ATOM 541 CA CYS A 39 -1.757 6.826 4.947 1.00 1.00 C ATOM 542 C CYS A 39 -0.309 6.749 5.480 1.00 1.00 C ATOM 543 O CYS A 39 0.293 7.785 5.766 1.00 1.00 O ATOM 544 CB CYS A 39 -2.697 7.560 5.902 1.00 1.00 C ATOM 545 SG CYS A 39 -4.391 7.694 5.262 1.00 1.00 S ATOM 0 H CYS A 39 -2.728 5.099 5.576 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.664 7.369 4.006 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.716 7.038 6.858 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.306 8.559 6.092 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.232 7.315 6.178 1.00 1.00 H new ATOM 550 N SER A 40 0.237 5.529 5.616 1.00 1.00 N ATOM 551 CA SER A 40 1.566 5.179 6.150 1.00 1.00 C ATOM 552 C SER A 40 1.969 6.051 7.348 1.00 1.00 C ATOM 553 O SER A 40 3.005 6.723 7.347 1.00 1.00 O ATOM 554 CB SER A 40 2.620 5.175 5.032 1.00 1.00 C ATOM 555 OG SER A 40 2.401 4.102 4.127 1.00 1.00 O ATOM 0 H SER A 40 -0.279 4.696 5.334 1.00 1.00 H new ATOM 0 HA SER A 40 1.506 4.164 6.542 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.587 6.122 4.493 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.616 5.091 5.467 1.00 1.00 H new ATOM 0 HG SER A 40 1.489 3.761 4.238 1.00 1.00 H new ATOM 561 N ALA A 41 1.105 6.054 8.366 1.00 1.00 N ATOM 562 CA ALA A 41 1.238 6.873 9.572 1.00 1.00 C ATOM 563 C ALA A 41 0.921 6.095 10.859 1.00 1.00 C ATOM 564 O ALA A 41 0.013 5.260 10.900 1.00 1.00 O ATOM 565 CB ALA A 41 0.311 8.088 9.425 1.00 1.00 C ATOM 0 H ALA A 41 0.269 5.469 8.374 1.00 1.00 H new ATOM 0 HA ALA A 41 2.277 7.189 9.667 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.391 8.716 10.312 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.602 8.663 8.546 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.719 7.749 9.312 1.00 1.00 H new ATOM 571 N VAL A 42 1.670 6.400 11.922 1.00 1.00 N ATOM 572 CA VAL A 42 1.513 5.805 13.260 1.00 1.00 C ATOM 573 C VAL A 42 0.495 6.622 14.070 1.00 1.00 C ATOM 574 O VAL A 42 0.354 7.834 13.896 1.00 1.00 O ATOM 575 CB VAL A 42 2.880 5.716 13.978 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.798 5.054 15.361 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.877 4.885 13.155 1.00 1.00 C ATOM 0 H VAL A 42 2.424 7.086 11.879 1.00 1.00 H new ATOM 0 HA VAL A 42 1.133 4.788 13.164 1.00 1.00 H new ATOM 0 HB VAL A 42 3.206 6.750 14.090 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.791 5.024 15.809 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.129 5.629 16.001 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.416 4.039 15.256 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.831 4.837 13.680 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.486 3.877 13.020 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.022 5.352 12.181 1.00 1.00 H new ATOM 587 N LEU A 43 -0.225 5.936 14.954 1.00 1.00 N ATOM 588 CA LEU A 43 -1.321 6.425 15.791 1.00 1.00 C ATOM 589 C LEU A 43 -0.993 6.101 17.260 1.00 1.00 C ATOM 590 O LEU A 43 -1.543 5.175 17.856 1.00 1.00 O ATOM 591 CB LEU A 43 -2.633 5.777 15.284 1.00 1.00 C ATOM 592 CG LEU A 43 -2.919 5.963 13.778 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.107 5.112 13.332 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.203 7.423 13.430 1.00 1.00 C ATOM 0 H LEU A 43 -0.044 4.946 15.118 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.450 7.506 15.730 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.600 4.710 15.502 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.467 6.192 15.850 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.020 5.642 13.252 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.284 5.264 12.267 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.891 4.060 13.517 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.995 5.404 13.893 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.399 7.511 12.361 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.074 7.767 13.988 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.339 8.034 13.692 1.00 1.00 H new ATOM 606 N ILE A 44 -0.026 6.836 17.820 1.00 1.00 N ATOM 607 CA ILE A 44 0.545 6.658 19.170 1.00 1.00 C ATOM 608 C ILE A 44 -0.449 6.633 20.351 1.00 1.00 C ATOM 609 O ILE A 44 -0.080 6.195 21.444 1.00 1.00 O ATOM 610 CB ILE A 44 1.683 7.675 19.427 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.239 9.156 19.503 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.845 7.473 18.437 1.00 1.00 C ATOM 613 CD1 ILE A 44 0.861 9.867 18.194 1.00 1.00 C ATOM 0 H ILE A 44 0.406 7.614 17.321 1.00 1.00 H new ATOM 0 HA ILE A 44 0.939 5.642 19.148 1.00 1.00 H new ATOM 0 HB ILE A 44 2.037 7.452 20.433 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.381 9.213 20.173 1.00 1.00 H new ATOM 0 HG13 ILE A 44 2.045 9.722 19.969 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.629 8.202 18.643 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.247 6.466 18.549 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.482 7.608 17.418 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.572 10.896 18.409 1.00 1.00 H new ATOM 0 HD12 ILE A 44 1.716 9.864 17.518 1.00 1.00 H new ATOM 0 HD13 ILE A 44 0.026 9.346 17.725 1.00 1.00 H new ATOM 625 N SER A 45 -1.701 7.056 20.154 1.00 1.00 N ATOM 626 CA SER A 45 -2.773 7.014 21.156 1.00 1.00 C ATOM 627 C SER A 45 -4.146 6.916 20.483 1.00 1.00 C ATOM 628 O SER A 45 -4.313 7.294 19.319 1.00 1.00 O ATOM 629 CB SER A 45 -2.725 8.257 22.054 1.00 1.00 C ATOM 630 OG SER A 45 -3.523 8.052 23.210 1.00 1.00 O ATOM 0 H SER A 45 -2.007 7.450 19.264 1.00 1.00 H new ATOM 0 HA SER A 45 -2.619 6.127 21.770 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.696 8.466 22.345 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.084 9.127 21.504 1.00 1.00 H new ATOM 0 HG SER A 45 -3.486 8.849 23.779 1.00 1.00 H new ATOM 636 N GLU A 46 -5.150 6.437 21.220 1.00 1.00 N ATOM 637 CA GLU A 46 -6.532 6.309 20.744 1.00 1.00 C ATOM 638 C GLU A 46 -7.115 7.646 20.264 1.00 1.00 C ATOM 639 O GLU A 46 -7.831 7.659 19.269 1.00 1.00 O ATOM 640 CB GLU A 46 -7.389 5.663 21.840 1.00 1.00 C ATOM 641 CG GLU A 46 -8.839 5.484 21.380 1.00 1.00 C ATOM 642 CD GLU A 46 -9.561 4.424 22.215 1.00 1.00 C ATOM 643 OE1 GLU A 46 -10.019 4.736 23.340 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.696 3.278 21.724 1.00 1.00 O ATOM 0 H GLU A 46 -5.025 6.121 22.182 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.536 5.661 19.867 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.969 4.694 22.110 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.364 6.282 22.737 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.368 6.434 21.459 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.856 5.196 20.329 1.00 1.00 H new ATOM 651 N SER A 47 -6.782 8.779 20.889 1.00 1.00 N ATOM 652 CA SER A 47 -7.249 10.095 20.425 1.00 1.00 C ATOM 653 C SER A 47 -6.744 10.424 19.013 1.00 1.00 C ATOM 654 O SER A 47 -7.517 10.913 18.185 1.00 1.00 O ATOM 655 CB SER A 47 -6.868 11.191 21.421 1.00 1.00 C ATOM 656 OG SER A 47 -5.481 11.153 21.723 1.00 1.00 O ATOM 0 H SER A 47 -6.190 8.815 21.719 1.00 1.00 H new ATOM 0 HA SER A 47 -8.337 10.050 20.368 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.126 12.166 21.008 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.446 11.070 22.337 1.00 1.00 H new ATOM 0 HG SER A 47 -5.265 11.865 22.360 1.00 1.00 H new ATOM 662 N GLN A 48 -5.487 10.085 18.689 1.00 1.00 N ATOM 663 CA GLN A 48 -4.953 10.239 17.330 1.00 1.00 C ATOM 664 C GLN A 48 -5.622 9.241 16.376 1.00 1.00 C ATOM 665 O GLN A 48 -5.979 9.624 15.263 1.00 1.00 O ATOM 666 CB GLN A 48 -3.422 10.074 17.283 1.00 1.00 C ATOM 667 CG GLN A 48 -2.670 11.348 17.697 1.00 1.00 C ATOM 668 CD GLN A 48 -2.701 11.605 19.200 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.125 10.871 19.990 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.354 12.653 19.655 1.00 1.00 N ATOM 0 H GLN A 48 -4.818 9.700 19.356 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.182 11.255 17.008 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.130 9.256 17.941 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.123 9.794 16.273 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.633 11.272 17.370 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.106 12.203 17.180 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.839 13.273 19.006 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.375 12.845 20.656 1.00 1.00 H new ATOM 679 N LYS A 49 -5.841 7.984 16.798 1.00 1.00 N ATOM 680 CA LYS A 49 -6.526 6.967 15.976 1.00 1.00 C ATOM 681 C LYS A 49 -7.952 7.415 15.615 1.00 1.00 C ATOM 682 O LYS A 49 -8.337 7.383 14.448 1.00 1.00 O ATOM 683 CB LYS A 49 -6.437 5.575 16.668 1.00 1.00 C ATOM 684 CG LYS A 49 -7.777 4.937 17.078 1.00 1.00 C ATOM 685 CD LYS A 49 -7.657 3.617 17.851 1.00 1.00 C ATOM 686 CE LYS A 49 -9.090 3.206 18.206 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.172 2.132 19.222 1.00 1.00 N ATOM 0 H LYS A 49 -5.550 7.643 17.714 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.018 6.859 15.018 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.922 4.889 15.995 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.817 5.673 17.559 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.330 5.650 17.690 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.369 4.762 16.180 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.170 2.853 17.245 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.053 3.744 18.750 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.628 4.080 18.572 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.598 2.875 17.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.021 1.557 19.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.327 1.529 19.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.226 2.555 20.171 1.00 1.00 H new ATOM 701 N LEU A 50 -8.711 7.891 16.604 1.00 1.00 N ATOM 702 CA LEU A 50 -10.086 8.370 16.450 1.00 1.00 C ATOM 703 C LEU A 50 -10.156 9.582 15.515 1.00 1.00 C ATOM 704 O LEU A 50 -11.046 9.639 14.666 1.00 1.00 O ATOM 705 CB LEU A 50 -10.696 8.661 17.840 1.00 1.00 C ATOM 706 CG LEU A 50 -11.020 7.394 18.665 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.521 7.752 20.063 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.104 6.534 18.022 1.00 1.00 C ATOM 0 H LEU A 50 -8.375 7.956 17.565 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.683 7.590 15.978 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.003 9.283 18.406 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.610 9.240 17.710 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.083 6.840 18.710 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.740 6.839 20.616 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.755 8.321 20.590 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.427 8.353 19.982 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.291 5.659 18.644 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.022 7.115 17.929 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.775 6.213 17.033 1.00 1.00 H new ATOM 720 N ALA A 51 -9.221 10.527 15.623 1.00 1.00 N ATOM 721 CA ALA A 51 -9.166 11.676 14.723 1.00 1.00 C ATOM 722 C ALA A 51 -8.739 11.282 13.299 1.00 1.00 C ATOM 723 O ALA A 51 -9.341 11.749 12.333 1.00 1.00 O ATOM 724 CB ALA A 51 -8.226 12.727 15.327 1.00 1.00 C ATOM 0 H ALA A 51 -8.487 10.517 16.331 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.167 12.096 14.624 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.174 13.592 14.666 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.605 13.037 16.301 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.230 12.300 15.444 1.00 1.00 H new ATOM 730 N HIS A 52 -7.729 10.418 13.147 1.00 1.00 N ATOM 731 CA HIS A 52 -7.230 9.983 11.841 1.00 1.00 C ATOM 732 C HIS A 52 -8.289 9.217 11.034 1.00 1.00 C ATOM 733 O HIS A 52 -8.561 9.586 9.894 1.00 1.00 O ATOM 734 CB HIS A 52 -5.959 9.141 12.033 1.00 1.00 C ATOM 735 CG HIS A 52 -5.257 8.813 10.737 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.111 9.412 10.253 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.654 7.894 9.802 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.838 8.882 9.047 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.760 7.961 8.730 1.00 1.00 N ATOM 0 H HIS A 52 -7.233 9.999 13.933 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.989 10.872 11.258 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.271 9.679 12.685 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.220 8.213 12.542 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.566 10.132 10.728 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.506 7.235 9.879 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.999 9.158 8.425 1.00 1.00 H new ATOM 747 N TYR A 53 -8.930 8.193 11.609 1.00 1.00 N ATOM 748 CA TYR A 53 -9.948 7.401 10.898 1.00 1.00 C ATOM 749 C TYR A 53 -11.230 8.185 10.550 1.00 1.00 C ATOM 750 O TYR A 53 -11.955 7.789 9.637 1.00 1.00 O ATOM 751 CB TYR A 53 -10.235 6.102 11.668 1.00 1.00 C ATOM 752 CG TYR A 53 -9.066 5.122 11.673 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.566 4.622 10.455 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.471 4.711 12.881 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.459 3.753 10.439 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.369 3.835 12.875 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.857 3.356 11.651 1.00 1.00 C ATOM 758 OH TYR A 53 -5.800 2.503 11.642 1.00 1.00 O ATOM 0 H TYR A 53 -8.763 7.890 12.569 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.529 7.143 9.925 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.494 6.350 12.697 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.105 5.614 11.229 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -9.036 4.908 9.526 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.863 5.071 13.821 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -7.071 3.390 9.499 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.916 3.530 13.807 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.668 2.136 12.541 1.00 1.00 H new ATOM 768 N GLN A 54 -11.493 9.316 11.220 1.00 1.00 N ATOM 769 CA GLN A 54 -12.633 10.209 10.942 1.00 1.00 C ATOM 770 C GLN A 54 -12.228 11.446 10.105 1.00 1.00 C ATOM 771 O GLN A 54 -13.089 12.235 9.708 1.00 1.00 O ATOM 772 CB GLN A 54 -13.300 10.632 12.264 1.00 1.00 C ATOM 773 CG GLN A 54 -13.905 9.441 13.026 1.00 1.00 C ATOM 774 CD GLN A 54 -14.561 9.863 14.337 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.775 9.944 14.473 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.780 10.141 15.357 1.00 1.00 N ATOM 0 H GLN A 54 -10.908 9.645 11.988 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.350 9.651 10.339 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.563 11.127 12.897 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.083 11.361 12.055 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.644 8.947 12.395 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.123 8.710 13.233 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.767 10.077 15.256 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.187 10.421 16.250 1.00 1.00 H new ATOM 785 N SER A 55 -10.932 11.638 9.828 1.00 1.00 N ATOM 786 CA SER A 55 -10.408 12.761 9.038 1.00 1.00 C ATOM 787 C SER A 55 -10.829 12.705 7.566 1.00 1.00 C ATOM 788 O SER A 55 -10.842 11.644 6.932 1.00 1.00 O ATOM 789 CB SER A 55 -8.877 12.794 9.112 1.00 1.00 C ATOM 790 OG SER A 55 -8.371 13.865 8.329 1.00 1.00 O ATOM 0 H SER A 55 -10.202 11.004 10.154 1.00 1.00 H new ATOM 0 HA SER A 55 -10.834 13.665 9.473 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.558 12.909 10.148 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.468 11.849 8.756 1.00 1.00 H new ATOM 0 HG SER A 55 -7.393 13.877 8.385 1.00 1.00 H new ATOM 796 N ARG A 56 -11.105 13.881 6.986 1.00 1.00 N ATOM 797 CA ARG A 56 -11.425 14.036 5.556 1.00 1.00 C ATOM 798 C ARG A 56 -10.226 13.664 4.675 1.00 1.00 C ATOM 799 O ARG A 56 -10.411 13.119 3.586 1.00 1.00 O ATOM 800 CB ARG A 56 -11.903 15.470 5.262 1.00 1.00 C ATOM 801 CG ARG A 56 -13.125 15.899 6.092 1.00 1.00 C ATOM 802 CD ARG A 56 -14.378 15.048 5.845 1.00 1.00 C ATOM 803 NE ARG A 56 -15.516 15.519 6.659 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.806 15.196 7.909 1.00 1.00 C ATOM 805 NH1 ARG A 56 -15.089 14.360 8.607 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.845 15.717 8.494 1.00 1.00 N ATOM 0 H ARG A 56 -11.113 14.762 7.500 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.236 13.349 5.314 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -11.084 16.163 5.454 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.148 15.552 4.203 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.868 15.850 7.150 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.356 16.940 5.868 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.644 15.086 4.789 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.165 14.006 6.083 1.00 1.00 H new ATOM 0 HE ARG A 56 -16.155 16.171 6.204 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -14.265 13.925 8.192 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.352 14.141 9.568 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.438 16.376 7.989 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.067 15.467 9.458 1.00 1.00 H new ATOM 820 N LYS A 57 -8.996 13.905 5.152 1.00 1.00 N ATOM 821 CA LYS A 57 -7.752 13.552 4.443 1.00 1.00 C ATOM 822 C LYS A 57 -7.609 12.034 4.311 1.00 1.00 C ATOM 823 O LYS A 57 -7.342 11.544 3.215 1.00 1.00 O ATOM 824 CB LYS A 57 -6.530 14.153 5.167 1.00 1.00 C ATOM 825 CG LYS A 57 -6.522 15.690 5.259 1.00 1.00 C ATOM 826 CD LYS A 57 -6.515 16.378 3.883 1.00 1.00 C ATOM 827 CE LYS A 57 -6.239 17.887 3.980 1.00 1.00 C ATOM 828 NZ LYS A 57 -7.349 18.634 4.631 1.00 1.00 N ATOM 0 H LYS A 57 -8.833 14.356 6.052 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.801 13.974 3.439 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.486 13.743 6.176 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.626 13.830 4.652 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.398 16.019 5.818 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.645 16.010 5.823 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.757 15.913 3.252 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.477 16.219 3.396 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -5.319 18.048 4.542 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -6.075 18.287 2.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -7.111 19.646 4.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -8.223 18.505 4.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -7.490 18.274 5.596 1.00 1.00 H new ATOM 842 N HIS A 58 -7.863 11.292 5.394 1.00 1.00 N ATOM 843 CA HIS A 58 -7.843 9.821 5.407 1.00 1.00 C ATOM 844 C HIS A 58 -8.867 9.252 4.422 1.00 1.00 C ATOM 845 O HIS A 58 -8.521 8.400 3.609 1.00 1.00 O ATOM 846 CB HIS A 58 -8.104 9.311 6.832 1.00 1.00 C ATOM 847 CG HIS A 58 -8.346 7.821 6.927 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.362 6.835 7.038 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.571 7.218 6.900 1.00 1.00 C ATOM 850 CE1 HIS A 58 -8.016 5.665 7.076 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.344 5.864 6.999 1.00 1.00 N ATOM 0 H HIS A 58 -8.092 11.700 6.300 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.858 9.479 5.089 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.251 9.569 7.459 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.969 9.834 7.239 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.530 7.708 6.817 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.542 4.698 7.157 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -10.059 5.137 7.012 1.00 1.00 H new ATOM 859 N ALA A 59 -10.108 9.751 4.443 1.00 1.00 N ATOM 860 CA ALA A 59 -11.162 9.305 3.529 1.00 1.00 C ATOM 861 C ALA A 59 -10.782 9.487 2.046 1.00 1.00 C ATOM 862 O ALA A 59 -10.958 8.567 1.244 1.00 1.00 O ATOM 863 CB ALA A 59 -12.447 10.052 3.880 1.00 1.00 C ATOM 0 H ALA A 59 -10.409 10.476 5.095 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.309 8.232 3.656 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.247 9.735 3.211 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.727 9.831 4.910 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.286 11.124 3.770 1.00 1.00 H new ATOM 869 N ASN A 60 -10.207 10.640 1.680 1.00 1.00 N ATOM 870 CA ASN A 60 -9.724 10.888 0.316 1.00 1.00 C ATOM 871 C ASN A 60 -8.573 9.926 -0.043 1.00 1.00 C ATOM 872 O ASN A 60 -8.580 9.341 -1.128 1.00 1.00 O ATOM 873 CB ASN A 60 -9.311 12.366 0.171 1.00 1.00 C ATOM 874 CG ASN A 60 -10.500 13.277 -0.080 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.940 13.459 -1.206 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.100 13.840 0.939 1.00 1.00 N ATOM 0 H ASN A 60 -10.064 11.423 2.318 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.529 10.693 -0.392 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -8.795 12.687 1.076 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.602 12.463 -0.651 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -11.924 14.422 0.788 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.743 13.696 1.884 1.00 1.00 H new ATOM 883 N LYS A 61 -7.615 9.707 0.872 1.00 1.00 N ATOM 884 CA LYS A 61 -6.498 8.761 0.678 1.00 1.00 C ATOM 885 C LYS A 61 -7.008 7.331 0.462 1.00 1.00 C ATOM 886 O LYS A 61 -6.548 6.656 -0.456 1.00 1.00 O ATOM 887 CB LYS A 61 -5.512 8.852 1.862 1.00 1.00 C ATOM 888 CG LYS A 61 -4.046 8.996 1.431 1.00 1.00 C ATOM 889 CD LYS A 61 -3.496 7.767 0.696 1.00 1.00 C ATOM 890 CE LYS A 61 -1.991 7.943 0.468 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.349 6.667 0.060 1.00 1.00 N ATOM 0 H LYS A 61 -7.591 10.183 1.774 1.00 1.00 H new ATOM 0 HA LYS A 61 -5.960 9.039 -0.228 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.784 9.704 2.486 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.615 7.959 2.479 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -3.951 9.868 0.784 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.434 9.185 2.313 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.684 6.866 1.280 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.007 7.641 -0.258 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.824 8.697 -0.301 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.524 8.310 1.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.345 6.836 -0.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.429 5.976 0.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.824 6.295 -0.787 1.00 1.00 H new ATOM 905 N VAL A 62 -7.992 6.886 1.252 1.00 1.00 N ATOM 906 CA VAL A 62 -8.646 5.571 1.105 1.00 1.00 C ATOM 907 C VAL A 62 -9.344 5.461 -0.250 1.00 1.00 C ATOM 908 O VAL A 62 -9.181 4.443 -0.921 1.00 1.00 O ATOM 909 CB VAL A 62 -9.618 5.294 2.271 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.499 4.056 2.046 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.836 5.046 3.566 1.00 1.00 C ATOM 0 H VAL A 62 -8.366 7.435 2.026 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.873 4.803 1.143 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.253 6.178 2.335 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.159 3.918 2.903 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.098 4.194 1.146 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.867 3.176 1.930 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.534 4.852 4.381 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.181 4.185 3.436 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.237 5.925 3.803 1.00 1.00 H new ATOM 1397 N SER A 94 17.558 -12.088 -3.497 1.00 1.00 N ATOM 1398 CA SER A 94 17.188 -13.193 -4.395 1.00 1.00 C ATOM 1399 C SER A 94 15.724 -13.656 -4.257 1.00 1.00 C ATOM 1400 O SER A 94 15.267 -14.470 -5.061 1.00 1.00 O ATOM 1401 CB SER A 94 18.128 -14.383 -4.175 1.00 1.00 C ATOM 1402 OG SER A 94 18.019 -14.905 -2.864 1.00 1.00 O ATOM 0 HA SER A 94 17.290 -12.802 -5.407 1.00 1.00 H new ATOM 0 HB2 SER A 94 17.898 -15.166 -4.898 1.00 1.00 H new ATOM 0 HB3 SER A 94 19.157 -14.072 -4.358 1.00 1.00 H new ATOM 0 HG SER A 94 17.745 -14.192 -2.250 1.00 1.00 H new ATOM 1408 N LYS A 95 14.973 -13.156 -3.262 1.00 1.00 N ATOM 1409 CA LYS A 95 13.569 -13.534 -3.002 1.00 1.00 C ATOM 1410 C LYS A 95 12.607 -12.354 -2.842 1.00 1.00 C ATOM 1411 O LYS A 95 11.413 -12.548 -3.062 1.00 1.00 O ATOM 1412 CB LYS A 95 13.506 -14.431 -1.752 1.00 1.00 C ATOM 1413 CG LYS A 95 14.147 -15.820 -1.923 1.00 1.00 C ATOM 1414 CD LYS A 95 13.482 -16.755 -2.950 1.00 1.00 C ATOM 1415 CE LYS A 95 11.978 -16.921 -2.694 1.00 1.00 C ATOM 1416 NZ LYS A 95 11.445 -18.175 -3.287 1.00 1.00 N ATOM 0 H LYS A 95 15.329 -12.465 -2.602 1.00 1.00 H new ATOM 0 HA LYS A 95 13.231 -14.067 -3.891 1.00 1.00 H new ATOM 0 HB2 LYS A 95 14.000 -13.917 -0.928 1.00 1.00 H new ATOM 0 HB3 LYS A 95 12.462 -14.560 -1.467 1.00 1.00 H new ATOM 0 HG2 LYS A 95 15.190 -15.683 -2.210 1.00 1.00 H new ATOM 0 HG3 LYS A 95 14.146 -16.319 -0.954 1.00 1.00 H new ATOM 0 HD2 LYS A 95 13.636 -16.358 -3.953 1.00 1.00 H new ATOM 0 HD3 LYS A 95 13.965 -17.732 -2.916 1.00 1.00 H new ATOM 0 HE2 LYS A 95 11.791 -16.920 -1.620 1.00 1.00 H new ATOM 0 HE3 LYS A 95 11.443 -16.068 -3.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 10.447 -18.289 -3.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 11.522 -18.129 -4.323 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 11.993 -18.986 -2.935 1.00 1.00 H new ATOM 1430 N CYS A 96 13.068 -11.154 -2.482 1.00 1.00 N ATOM 1431 CA CYS A 96 12.198 -9.978 -2.341 1.00 1.00 C ATOM 1432 C CYS A 96 12.892 -8.634 -2.620 1.00 1.00 C ATOM 1433 O CYS A 96 14.121 -8.528 -2.597 1.00 1.00 O ATOM 1434 CB CYS A 96 11.556 -10.005 -0.943 1.00 1.00 C ATOM 1435 SG CYS A 96 12.808 -9.754 0.343 1.00 1.00 S ATOM 0 H CYS A 96 14.050 -10.968 -2.280 1.00 1.00 H new ATOM 0 HA CYS A 96 11.432 -10.047 -3.113 1.00 1.00 H new ATOM 0 HB2 CYS A 96 10.794 -9.228 -0.872 1.00 1.00 H new ATOM 0 HB3 CYS A 96 11.053 -10.960 -0.787 1.00 1.00 H new ATOM 0 HG CYS A 96 12.240 -9.779 1.512 1.00 1.00 H new ATOM 1441 N CYS A 97 12.087 -7.590 -2.830 1.00 1.00 N ATOM 1442 CA CYS A 97 12.532 -6.216 -3.071 1.00 1.00 C ATOM 1443 C CYS A 97 11.679 -5.221 -2.256 1.00 1.00 C ATOM 1444 O CYS A 97 10.512 -5.010 -2.601 1.00 1.00 O ATOM 1445 CB CYS A 97 12.441 -5.906 -4.569 1.00 1.00 C ATOM 1446 SG CYS A 97 12.876 -4.195 -4.965 1.00 1.00 S ATOM 0 H CYS A 97 11.071 -7.682 -2.837 1.00 1.00 H new ATOM 0 HA CYS A 97 13.568 -6.113 -2.749 1.00 1.00 H new ATOM 0 HB2 CYS A 97 13.103 -6.579 -5.114 1.00 1.00 H new ATOM 0 HB3 CYS A 97 11.427 -6.107 -4.915 1.00 1.00 H new ATOM 0 HG CYS A 97 11.953 -3.676 -5.720 1.00 1.00 H new ATOM 1451 N PRO A 98 12.215 -4.592 -1.188 1.00 1.00 N ATOM 1452 CA PRO A 98 11.464 -3.647 -0.353 1.00 1.00 C ATOM 1453 C PRO A 98 11.184 -2.291 -1.028 1.00 1.00 C ATOM 1454 O PRO A 98 10.259 -1.590 -0.612 1.00 1.00 O ATOM 1455 CB PRO A 98 12.304 -3.486 0.918 1.00 1.00 C ATOM 1456 CG PRO A 98 13.734 -3.706 0.428 1.00 1.00 C ATOM 1457 CD PRO A 98 13.568 -4.758 -0.667 1.00 1.00 C ATOM 0 HA PRO A 98 10.466 -4.035 -0.151 1.00 1.00 H new ATOM 0 HB2 PRO A 98 12.178 -2.498 1.360 1.00 1.00 H new ATOM 0 HB3 PRO A 98 12.024 -4.214 1.680 1.00 1.00 H new ATOM 0 HG2 PRO A 98 14.173 -2.787 0.040 1.00 1.00 H new ATOM 0 HG3 PRO A 98 14.385 -4.057 1.229 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.308 -4.620 -1.455 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.711 -5.762 -0.267 1.00 1.00 H new ATOM 1465 N VAL A 99 11.929 -1.915 -2.080 1.00 1.00 N ATOM 1466 CA VAL A 99 11.689 -0.665 -2.840 1.00 1.00 C ATOM 1467 C VAL A 99 10.322 -0.728 -3.534 1.00 1.00 C ATOM 1468 O VAL A 99 9.563 0.240 -3.515 1.00 1.00 O ATOM 1469 CB VAL A 99 12.786 -0.394 -3.892 1.00 1.00 C ATOM 1470 CG1 VAL A 99 12.610 0.992 -4.527 1.00 1.00 C ATOM 1471 CG2 VAL A 99 14.196 -0.444 -3.288 1.00 1.00 C ATOM 0 H VAL A 99 12.714 -2.463 -2.432 1.00 1.00 H new ATOM 0 HA VAL A 99 11.710 0.155 -2.122 1.00 1.00 H new ATOM 0 HB VAL A 99 12.680 -1.180 -4.640 1.00 1.00 H new ATOM 0 HG11 VAL A 99 13.396 1.157 -5.264 1.00 1.00 H new ATOM 0 HG12 VAL A 99 11.637 1.048 -5.015 1.00 1.00 H new ATOM 0 HG13 VAL A 99 12.672 1.757 -3.753 1.00 1.00 H new ATOM 0 HG21 VAL A 99 14.933 -0.247 -4.067 1.00 1.00 H new ATOM 0 HG22 VAL A 99 14.284 0.311 -2.506 1.00 1.00 H new ATOM 0 HG23 VAL A 99 14.374 -1.431 -2.861 1.00 1.00 H new ATOM 1481 N CYS A 100 9.995 -1.890 -4.102 1.00 1.00 N ATOM 1482 CA CYS A 100 8.724 -2.167 -4.774 1.00 1.00 C ATOM 1483 C CYS A 100 7.687 -2.853 -3.862 1.00 1.00 C ATOM 1484 O CYS A 100 6.502 -2.910 -4.189 1.00 1.00 O ATOM 1485 CB CYS A 100 9.028 -3.091 -5.954 1.00 1.00 C ATOM 1486 SG CYS A 100 10.295 -2.482 -7.097 1.00 1.00 S ATOM 0 H CYS A 100 10.628 -2.690 -4.107 1.00 1.00 H new ATOM 0 HA CYS A 100 8.288 -1.217 -5.082 1.00 1.00 H new ATOM 0 HB2 CYS A 100 9.345 -4.059 -5.566 1.00 1.00 H new ATOM 0 HB3 CYS A 100 8.107 -3.258 -6.512 1.00 1.00 H new ATOM 0 HG CYS A 100 9.852 -2.558 -8.317 1.00 1.00 H new ATOM 1491 N ASN A 101 8.157 -3.409 -2.742 1.00 1.00 N ATOM 1492 CA ASN A 101 7.421 -4.211 -1.761 1.00 1.00 C ATOM 1493 C ASN A 101 6.777 -5.450 -2.418 1.00 1.00 C ATOM 1494 O ASN A 101 5.563 -5.662 -2.364 1.00 1.00 O ATOM 1495 CB ASN A 101 6.478 -3.316 -0.932 1.00 1.00 C ATOM 1496 CG ASN A 101 5.853 -4.054 0.245 1.00 1.00 C ATOM 1497 OD1 ASN A 101 6.436 -4.951 0.839 1.00 1.00 O ATOM 1498 ND2 ASN A 101 4.647 -3.698 0.630 1.00 1.00 N ATOM 0 H ASN A 101 9.136 -3.302 -2.478 1.00 1.00 H new ATOM 0 HA ASN A 101 8.110 -4.636 -1.031 1.00 1.00 H new ATOM 0 HB2 ASN A 101 7.033 -2.454 -0.562 1.00 1.00 H new ATOM 0 HB3 ASN A 101 5.687 -2.933 -1.577 1.00 1.00 H new ATOM 0 HD21 ASN A 101 4.204 -4.169 1.419 1.00 1.00 H new ATOM 0 HD22 ASN A 101 4.155 -2.951 0.140 1.00 1.00 H new ATOM 1505 N MET A 102 7.625 -6.257 -3.068 1.00 1.00 N ATOM 1506 CA MET A 102 7.253 -7.479 -3.801 1.00 1.00 C ATOM 1507 C MET A 102 8.194 -8.659 -3.505 1.00 1.00 C ATOM 1508 O MET A 102 9.285 -8.486 -2.954 1.00 1.00 O ATOM 1509 CB MET A 102 7.249 -7.215 -5.320 1.00 1.00 C ATOM 1510 CG MET A 102 6.259 -6.133 -5.765 1.00 1.00 C ATOM 1511 SD MET A 102 5.861 -6.146 -7.539 1.00 1.00 S ATOM 1512 CE MET A 102 7.509 -6.000 -8.284 1.00 1.00 C ATOM 0 H MET A 102 8.628 -6.072 -3.100 1.00 1.00 H new ATOM 0 HA MET A 102 6.254 -7.750 -3.459 1.00 1.00 H new ATOM 0 HB2 MET A 102 8.253 -6.924 -5.630 1.00 1.00 H new ATOM 0 HB3 MET A 102 7.013 -8.144 -5.839 1.00 1.00 H new ATOM 0 HG2 MET A 102 5.335 -6.251 -5.199 1.00 1.00 H new ATOM 0 HG3 MET A 102 6.669 -5.157 -5.506 1.00 1.00 H new ATOM 0 HE1 MET A 102 7.413 -5.924 -9.367 1.00 1.00 H new ATOM 0 HE2 MET A 102 8.004 -5.108 -7.900 1.00 1.00 H new ATOM 0 HE3 MET A 102 8.101 -6.880 -8.033 1.00 1.00 H new ATOM 1522 N THR A 103 7.775 -9.858 -3.916 1.00 1.00 N ATOM 1523 CA THR A 103 8.503 -11.131 -3.777 1.00 1.00 C ATOM 1524 C THR A 103 8.635 -11.847 -5.128 1.00 1.00 C ATOM 1525 O THR A 103 7.882 -11.576 -6.068 1.00 1.00 O ATOM 1526 CB THR A 103 7.828 -12.064 -2.754 1.00 1.00 C ATOM 1527 OG1 THR A 103 6.488 -12.326 -3.124 1.00 1.00 O ATOM 1528 CG2 THR A 103 7.807 -11.469 -1.345 1.00 1.00 C ATOM 0 H THR A 103 6.874 -9.978 -4.379 1.00 1.00 H new ATOM 0 HA THR A 103 9.500 -10.886 -3.411 1.00 1.00 H new ATOM 0 HB THR A 103 8.419 -12.980 -2.749 1.00 1.00 H new ATOM 0 HG1 THR A 103 6.077 -12.921 -2.463 1.00 1.00 H new ATOM 0 HG21 THR A 103 7.321 -12.166 -0.663 1.00 1.00 H new ATOM 0 HG22 THR A 103 8.829 -11.288 -1.011 1.00 1.00 H new ATOM 0 HG23 THR A 103 7.257 -10.528 -1.356 1.00 1.00 H new ATOM 1536 N PHE A 104 9.606 -12.759 -5.232 1.00 1.00 N ATOM 1537 CA PHE A 104 9.935 -13.515 -6.447 1.00 1.00 C ATOM 1538 C PHE A 104 10.054 -15.015 -6.149 1.00 1.00 C ATOM 1539 O PHE A 104 10.511 -15.419 -5.078 1.00 1.00 O ATOM 1540 CB PHE A 104 11.238 -12.963 -7.055 1.00 1.00 C ATOM 1541 CG PHE A 104 11.305 -11.446 -7.105 1.00 1.00 C ATOM 1542 CD1 PHE A 104 10.452 -10.729 -7.965 1.00 1.00 C ATOM 1543 CD2 PHE A 104 12.160 -10.748 -6.230 1.00 1.00 C ATOM 1544 CE1 PHE A 104 10.434 -9.323 -7.930 1.00 1.00 C ATOM 1545 CE2 PHE A 104 12.156 -9.343 -6.208 1.00 1.00 C ATOM 1546 CZ PHE A 104 11.279 -8.632 -7.044 1.00 1.00 C ATOM 0 H PHE A 104 10.207 -13.001 -4.444 1.00 1.00 H new ATOM 0 HA PHE A 104 9.128 -13.394 -7.170 1.00 1.00 H new ATOM 0 HB2 PHE A 104 12.083 -13.334 -6.475 1.00 1.00 H new ATOM 0 HB3 PHE A 104 11.349 -13.354 -8.066 1.00 1.00 H new ATOM 0 HD1 PHE A 104 9.810 -11.259 -8.653 1.00 1.00 H new ATOM 0 HD2 PHE A 104 12.821 -11.295 -5.574 1.00 1.00 H new ATOM 0 HE1 PHE A 104 9.772 -8.775 -8.583 1.00 1.00 H new ATOM 0 HE2 PHE A 104 12.826 -8.811 -5.549 1.00 1.00 H new ATOM 0 HZ PHE A 104 11.254 -7.553 -7.006 1.00 1.00 H new ATOM 1556 N SER A 105 9.640 -15.852 -7.100 1.00 1.00 N ATOM 1557 CA SER A 105 9.646 -17.316 -6.970 1.00 1.00 C ATOM 1558 C SER A 105 11.048 -17.943 -6.949 1.00 1.00 C ATOM 1559 O SER A 105 11.297 -18.859 -6.162 1.00 1.00 O ATOM 1560 CB SER A 105 8.823 -17.908 -8.117 1.00 1.00 C ATOM 1561 OG SER A 105 9.310 -17.436 -9.366 1.00 1.00 O ATOM 0 H SER A 105 9.284 -15.530 -8.000 1.00 1.00 H new ATOM 0 HA SER A 105 9.209 -17.553 -6.000 1.00 1.00 H new ATOM 0 HB2 SER A 105 8.874 -18.996 -8.087 1.00 1.00 H new ATOM 0 HB3 SER A 105 7.774 -17.634 -8.001 1.00 1.00 H new ATOM 0 HG SER A 105 8.777 -17.823 -10.092 1.00 1.00 H new ATOM 1567 N SER A 106 11.973 -17.441 -7.772 1.00 1.00 N ATOM 1568 CA SER A 106 13.349 -17.943 -7.923 1.00 1.00 C ATOM 1569 C SER A 106 14.368 -16.797 -8.062 1.00 1.00 C ATOM 1570 O SER A 106 14.013 -15.754 -8.624 1.00 1.00 O ATOM 1571 CB SER A 106 13.382 -18.819 -9.184 1.00 1.00 C ATOM 1572 OG SER A 106 14.689 -19.268 -9.496 1.00 1.00 O ATOM 0 H SER A 106 11.780 -16.642 -8.377 1.00 1.00 H new ATOM 0 HA SER A 106 13.625 -18.509 -7.033 1.00 1.00 H new ATOM 0 HB2 SER A 106 12.729 -19.680 -9.042 1.00 1.00 H new ATOM 0 HB3 SER A 106 12.984 -18.253 -10.027 1.00 1.00 H new ATOM 0 HG SER A 106 14.660 -19.822 -10.304 1.00 1.00 H new ATOM 1578 N PRO A 107 15.630 -16.960 -7.604 1.00 1.00 N ATOM 1579 CA PRO A 107 16.689 -15.956 -7.739 1.00 1.00 C ATOM 1580 C PRO A 107 16.827 -15.350 -9.139 1.00 1.00 C ATOM 1581 O PRO A 107 17.059 -14.150 -9.253 1.00 1.00 O ATOM 1582 CB PRO A 107 17.983 -16.658 -7.313 1.00 1.00 C ATOM 1583 CG PRO A 107 17.493 -17.698 -6.310 1.00 1.00 C ATOM 1584 CD PRO A 107 16.162 -18.131 -6.915 1.00 1.00 C ATOM 0 HA PRO A 107 16.446 -15.097 -7.114 1.00 1.00 H new ATOM 0 HB2 PRO A 107 18.489 -17.121 -8.160 1.00 1.00 H new ATOM 0 HB3 PRO A 107 18.690 -15.962 -6.861 1.00 1.00 H new ATOM 0 HG2 PRO A 107 18.188 -18.532 -6.217 1.00 1.00 H new ATOM 0 HG3 PRO A 107 17.368 -17.275 -5.313 1.00 1.00 H new ATOM 0 HD2 PRO A 107 16.301 -18.961 -7.608 1.00 1.00 H new ATOM 0 HD3 PRO A 107 15.475 -18.473 -6.141 1.00 1.00 H new ATOM 1592 N VAL A 108 16.653 -16.136 -10.209 1.00 1.00 N ATOM 1593 CA VAL A 108 16.755 -15.632 -11.594 1.00 1.00 C ATOM 1594 C VAL A 108 15.678 -14.581 -11.906 1.00 1.00 C ATOM 1595 O VAL A 108 15.950 -13.594 -12.592 1.00 1.00 O ATOM 1596 CB VAL A 108 16.713 -16.777 -12.627 1.00 1.00 C ATOM 1597 CG1 VAL A 108 17.138 -16.259 -14.007 1.00 1.00 C ATOM 1598 CG2 VAL A 108 17.660 -17.931 -12.260 1.00 1.00 C ATOM 0 H VAL A 108 16.439 -17.131 -10.146 1.00 1.00 H new ATOM 0 HA VAL A 108 17.727 -15.145 -11.673 1.00 1.00 H new ATOM 0 HB VAL A 108 15.687 -17.144 -12.637 1.00 1.00 H new ATOM 0 HG11 VAL A 108 17.105 -17.076 -14.728 1.00 1.00 H new ATOM 0 HG12 VAL A 108 16.459 -15.467 -14.323 1.00 1.00 H new ATOM 0 HG13 VAL A 108 18.153 -15.865 -13.951 1.00 1.00 H new ATOM 0 HG21 VAL A 108 17.593 -18.711 -13.018 1.00 1.00 H new ATOM 0 HG22 VAL A 108 18.684 -17.560 -12.210 1.00 1.00 H new ATOM 0 HG23 VAL A 108 17.375 -18.341 -11.291 1.00 1.00 H new ATOM 1608 N VAL A 109 14.469 -14.739 -11.353 1.00 1.00 N ATOM 1609 CA VAL A 109 13.369 -13.766 -11.494 1.00 1.00 C ATOM 1610 C VAL A 109 13.721 -12.477 -10.745 1.00 1.00 C ATOM 1611 O VAL A 109 13.518 -11.383 -11.272 1.00 1.00 O ATOM 1612 CB VAL A 109 12.036 -14.344 -10.977 1.00 1.00 C ATOM 1613 CG1 VAL A 109 10.878 -13.355 -11.146 1.00 1.00 C ATOM 1614 CG2 VAL A 109 11.656 -15.627 -11.729 1.00 1.00 C ATOM 0 H VAL A 109 14.221 -15.552 -10.789 1.00 1.00 H new ATOM 0 HA VAL A 109 13.241 -13.544 -12.553 1.00 1.00 H new ATOM 0 HB VAL A 109 12.193 -14.553 -9.919 1.00 1.00 H new ATOM 0 HG11 VAL A 109 9.959 -13.803 -10.769 1.00 1.00 H new ATOM 0 HG12 VAL A 109 11.093 -12.444 -10.588 1.00 1.00 H new ATOM 0 HG13 VAL A 109 10.757 -13.113 -12.202 1.00 1.00 H new ATOM 0 HG21 VAL A 109 10.712 -16.010 -11.341 1.00 1.00 H new ATOM 0 HG22 VAL A 109 11.550 -15.408 -12.792 1.00 1.00 H new ATOM 0 HG23 VAL A 109 12.436 -16.375 -11.589 1.00 1.00 H new ATOM 1624 N ALA A 110 14.303 -12.596 -9.547 1.00 1.00 N ATOM 1625 CA ALA A 110 14.759 -11.451 -8.762 1.00 1.00 C ATOM 1626 C ALA A 110 15.896 -10.692 -9.476 1.00 1.00 C ATOM 1627 O ALA A 110 15.853 -9.466 -9.575 1.00 1.00 O ATOM 1628 CB ALA A 110 15.185 -11.945 -7.379 1.00 1.00 C ATOM 0 H ALA A 110 14.470 -13.495 -9.095 1.00 1.00 H new ATOM 0 HA ALA A 110 13.942 -10.738 -8.651 1.00 1.00 H new ATOM 0 HB1 ALA A 110 15.528 -11.101 -6.781 1.00 1.00 H new ATOM 0 HB2 ALA A 110 14.337 -12.419 -6.885 1.00 1.00 H new ATOM 0 HB3 ALA A 110 15.994 -12.668 -7.484 1.00 1.00 H new ATOM 1634 N GLU A 111 16.887 -11.406 -10.029 1.00 1.00 N ATOM 1635 CA GLU A 111 17.975 -10.801 -10.812 1.00 1.00 C ATOM 1636 C GLU A 111 17.413 -10.048 -12.026 1.00 1.00 C ATOM 1637 O GLU A 111 17.825 -8.918 -12.287 1.00 1.00 O ATOM 1638 CB GLU A 111 18.973 -11.865 -11.304 1.00 1.00 C ATOM 1639 CG GLU A 111 19.869 -12.427 -10.195 1.00 1.00 C ATOM 1640 CD GLU A 111 20.951 -13.355 -10.780 1.00 1.00 C ATOM 1641 OE1 GLU A 111 20.660 -14.545 -11.054 1.00 1.00 O ATOM 1642 OE2 GLU A 111 22.107 -12.902 -10.966 1.00 1.00 O ATOM 0 H GLU A 111 16.957 -12.420 -9.946 1.00 1.00 H new ATOM 0 HA GLU A 111 18.496 -10.105 -10.154 1.00 1.00 H new ATOM 0 HB2 GLU A 111 18.420 -12.685 -11.763 1.00 1.00 H new ATOM 0 HB3 GLU A 111 19.601 -11.430 -12.081 1.00 1.00 H new ATOM 0 HG2 GLU A 111 20.341 -11.608 -9.653 1.00 1.00 H new ATOM 0 HG3 GLU A 111 19.262 -12.977 -9.476 1.00 1.00 H new ATOM 1649 N SER A 112 16.439 -10.643 -12.729 1.00 1.00 N ATOM 1650 CA SER A 112 15.761 -10.030 -13.881 1.00 1.00 C ATOM 1651 C SER A 112 14.987 -8.768 -13.481 1.00 1.00 C ATOM 1652 O SER A 112 15.011 -7.771 -14.203 1.00 1.00 O ATOM 1653 CB SER A 112 14.795 -11.022 -14.543 1.00 1.00 C ATOM 1654 OG SER A 112 15.480 -12.170 -15.016 1.00 1.00 O ATOM 0 H SER A 112 16.095 -11.578 -12.510 1.00 1.00 H new ATOM 0 HA SER A 112 16.540 -9.752 -14.591 1.00 1.00 H new ATOM 0 HB2 SER A 112 14.030 -11.322 -13.826 1.00 1.00 H new ATOM 0 HB3 SER A 112 14.282 -10.535 -15.372 1.00 1.00 H new ATOM 0 HG SER A 112 15.704 -12.752 -14.260 1.00 1.00 H new ATOM 1660 N HIS A 113 14.321 -8.783 -12.321 1.00 1.00 N ATOM 1661 CA HIS A 113 13.579 -7.637 -11.796 1.00 1.00 C ATOM 1662 C HIS A 113 14.507 -6.448 -11.497 1.00 1.00 C ATOM 1663 O HIS A 113 14.250 -5.340 -11.970 1.00 1.00 O ATOM 1664 CB HIS A 113 12.811 -8.075 -10.536 1.00 1.00 C ATOM 1665 CG HIS A 113 12.282 -6.913 -9.740 1.00 1.00 C ATOM 1666 ND1 HIS A 113 11.082 -6.271 -9.933 1.00 1.00 N ATOM 1667 CD2 HIS A 113 12.957 -6.232 -8.761 1.00 1.00 C ATOM 1668 CE1 HIS A 113 11.042 -5.216 -9.103 1.00 1.00 C ATOM 1669 NE2 HIS A 113 12.165 -5.152 -8.368 1.00 1.00 N ATOM 0 H HIS A 113 14.283 -9.603 -11.715 1.00 1.00 H new ATOM 0 HA HIS A 113 12.872 -7.296 -12.552 1.00 1.00 H new ATOM 0 HB2 HIS A 113 11.980 -8.717 -10.828 1.00 1.00 H new ATOM 0 HB3 HIS A 113 13.469 -8.672 -9.905 1.00 1.00 H new ATOM 0 HD2 HIS A 113 13.929 -6.486 -8.364 1.00 1.00 H new ATOM 0 HE1 HIS A 113 10.222 -4.517 -9.036 1.00 1.00 H new ATOM 0 HE2 HIS A 113 12.394 -4.452 -7.662 1.00 1.00 H new ATOM 1677 N TYR A 114 15.600 -6.674 -10.757 1.00 1.00 N ATOM 1678 CA TYR A 114 16.564 -5.632 -10.372 1.00 1.00 C ATOM 1679 C TYR A 114 17.274 -4.925 -11.549 1.00 1.00 C ATOM 1680 O TYR A 114 17.852 -3.855 -11.345 1.00 1.00 O ATOM 1681 CB TYR A 114 17.560 -6.194 -9.340 1.00 1.00 C ATOM 1682 CG TYR A 114 17.088 -6.071 -7.897 1.00 1.00 C ATOM 1683 CD1 TYR A 114 17.081 -4.804 -7.279 1.00 1.00 C ATOM 1684 CD2 TYR A 114 16.682 -7.204 -7.160 1.00 1.00 C ATOM 1685 CE1 TYR A 114 16.678 -4.667 -5.936 1.00 1.00 C ATOM 1686 CE2 TYR A 114 16.267 -7.070 -5.819 1.00 1.00 C ATOM 1687 CZ TYR A 114 16.269 -5.801 -5.201 1.00 1.00 C ATOM 1688 OH TYR A 114 15.896 -5.673 -3.898 1.00 1.00 O ATOM 0 H TYR A 114 15.844 -7.599 -10.403 1.00 1.00 H new ATOM 0 HA TYR A 114 15.980 -4.834 -9.914 1.00 1.00 H new ATOM 0 HB2 TYR A 114 17.745 -7.245 -9.563 1.00 1.00 H new ATOM 0 HB3 TYR A 114 18.511 -5.673 -9.447 1.00 1.00 H new ATOM 0 HD1 TYR A 114 17.387 -3.932 -7.839 1.00 1.00 H new ATOM 0 HD2 TYR A 114 16.689 -8.179 -7.625 1.00 1.00 H new ATOM 0 HE1 TYR A 114 16.682 -3.694 -5.468 1.00 1.00 H new ATOM 0 HE2 TYR A 114 15.947 -7.940 -5.264 1.00 1.00 H new ATOM 0 HH TYR A 114 15.084 -5.127 -3.842 1.00 1.00 H new ATOM 1698 N ILE A 115 17.215 -5.476 -12.771 1.00 1.00 N ATOM 1699 CA ILE A 115 17.808 -4.890 -13.995 1.00 1.00 C ATOM 1700 C ILE A 115 16.758 -4.480 -15.046 1.00 1.00 C ATOM 1701 O ILE A 115 17.123 -3.994 -16.119 1.00 1.00 O ATOM 1702 CB ILE A 115 18.912 -5.807 -14.586 1.00 1.00 C ATOM 1703 CG1 ILE A 115 18.439 -7.187 -15.104 1.00 1.00 C ATOM 1704 CG2 ILE A 115 20.019 -6.021 -13.537 1.00 1.00 C ATOM 1705 CD1 ILE A 115 17.759 -7.190 -16.478 1.00 1.00 C ATOM 0 H ILE A 115 16.743 -6.363 -12.946 1.00 1.00 H new ATOM 0 HA ILE A 115 18.286 -3.959 -13.690 1.00 1.00 H new ATOM 0 HB ILE A 115 19.273 -5.275 -15.466 1.00 1.00 H new ATOM 0 HG12 ILE A 115 19.301 -7.853 -15.145 1.00 1.00 H new ATOM 0 HG13 ILE A 115 17.746 -7.608 -14.376 1.00 1.00 H new ATOM 0 HG21 ILE A 115 20.794 -6.665 -13.952 1.00 1.00 H new ATOM 0 HG22 ILE A 115 20.454 -5.059 -13.265 1.00 1.00 H new ATOM 0 HG23 ILE A 115 19.594 -6.491 -12.650 1.00 1.00 H new ATOM 0 HD11 ILE A 115 17.470 -8.208 -16.739 1.00 1.00 H new ATOM 0 HD12 ILE A 115 16.872 -6.558 -16.446 1.00 1.00 H new ATOM 0 HD13 ILE A 115 18.451 -6.806 -17.227 1.00 1.00 H new ATOM 1717 N GLY A 116 15.463 -4.655 -14.752 1.00 1.00 N ATOM 1718 CA GLY A 116 14.348 -4.350 -15.657 1.00 1.00 C ATOM 1719 C GLY A 116 13.526 -3.118 -15.265 1.00 1.00 C ATOM 1720 O GLY A 116 13.667 -2.556 -14.174 1.00 1.00 O ATOM 0 H GLY A 116 15.154 -5.023 -13.852 1.00 1.00 H new ATOM 0 HA2 GLY A 116 14.743 -4.202 -16.662 1.00 1.00 H new ATOM 0 HA3 GLY A 116 13.685 -5.214 -15.699 1.00 1.00 H new ATOM 1724 N LYS A 117 12.639 -2.695 -16.176 1.00 1.00 N ATOM 1725 CA LYS A 117 11.764 -1.518 -16.009 1.00 1.00 C ATOM 1726 C LYS A 117 10.863 -1.584 -14.773 1.00 1.00 C ATOM 1727 O LYS A 117 10.562 -0.540 -14.204 1.00 1.00 O ATOM 1728 CB LYS A 117 10.916 -1.291 -17.277 1.00 1.00 C ATOM 1729 CG LYS A 117 11.715 -1.044 -18.571 1.00 1.00 C ATOM 1730 CD LYS A 117 12.605 0.209 -18.511 1.00 1.00 C ATOM 1731 CE LYS A 117 13.341 0.472 -19.835 1.00 1.00 C ATOM 1732 NZ LYS A 117 12.426 0.914 -20.922 1.00 1.00 N ATOM 0 H LYS A 117 12.504 -3.169 -17.069 1.00 1.00 H new ATOM 0 HA LYS A 117 12.431 -0.670 -15.853 1.00 1.00 H new ATOM 0 HB2 LYS A 117 10.276 -2.161 -17.426 1.00 1.00 H new ATOM 0 HB3 LYS A 117 10.260 -0.437 -17.107 1.00 1.00 H new ATOM 0 HG2 LYS A 117 12.339 -1.914 -18.775 1.00 1.00 H new ATOM 0 HG3 LYS A 117 11.020 -0.947 -19.405 1.00 1.00 H new ATOM 0 HD2 LYS A 117 11.992 1.075 -18.262 1.00 1.00 H new ATOM 0 HD3 LYS A 117 13.335 0.094 -17.710 1.00 1.00 H new ATOM 0 HE2 LYS A 117 14.105 1.233 -19.676 1.00 1.00 H new ATOM 0 HE3 LYS A 117 13.856 -0.437 -20.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 12.977 1.110 -21.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 11.733 0.164 -21.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 11.927 1.778 -20.626 1.00 1.00 H new ATOM 1746 N THR A 118 10.460 -2.778 -14.330 1.00 1.00 N ATOM 1747 CA THR A 118 9.619 -2.984 -13.132 1.00 1.00 C ATOM 1748 C THR A 118 10.210 -2.299 -11.894 1.00 1.00 C ATOM 1749 O THR A 118 9.497 -1.622 -11.152 1.00 1.00 O ATOM 1750 CB THR A 118 9.461 -4.486 -12.845 1.00 1.00 C ATOM 1751 OG1 THR A 118 9.095 -5.186 -14.011 1.00 1.00 O ATOM 1752 CG2 THR A 118 8.407 -4.781 -11.781 1.00 1.00 C ATOM 0 H THR A 118 10.710 -3.649 -14.798 1.00 1.00 H new ATOM 0 HA THR A 118 8.647 -2.538 -13.342 1.00 1.00 H new ATOM 0 HB THR A 118 10.434 -4.815 -12.480 1.00 1.00 H new ATOM 0 HG1 THR A 118 9.002 -6.139 -13.805 1.00 1.00 H new ATOM 0 HG21 THR A 118 8.341 -5.857 -11.622 1.00 1.00 H new ATOM 0 HG22 THR A 118 8.686 -4.293 -10.847 1.00 1.00 H new ATOM 0 HG23 THR A 118 7.440 -4.404 -12.113 1.00 1.00 H new ATOM 1760 N HIS A 119 11.525 -2.431 -11.685 1.00 1.00 N ATOM 1761 CA HIS A 119 12.228 -1.775 -10.580 1.00 1.00 C ATOM 1762 C HIS A 119 12.320 -0.259 -10.792 1.00 1.00 C ATOM 1763 O HIS A 119 12.013 0.512 -9.887 1.00 1.00 O ATOM 1764 CB HIS A 119 13.612 -2.410 -10.414 1.00 1.00 C ATOM 1765 CG HIS A 119 14.299 -1.995 -9.140 1.00 1.00 C ATOM 1766 ND1 HIS A 119 13.878 -2.349 -7.856 1.00 1.00 N ATOM 1767 CD2 HIS A 119 15.441 -1.255 -9.047 1.00 1.00 C ATOM 1768 CE1 HIS A 119 14.781 -1.817 -7.017 1.00 1.00 C ATOM 1769 NE2 HIS A 119 15.729 -1.154 -7.703 1.00 1.00 N ATOM 0 H HIS A 119 12.131 -2.997 -12.279 1.00 1.00 H new ATOM 0 HA HIS A 119 11.661 -1.923 -9.661 1.00 1.00 H new ATOM 0 HB2 HIS A 119 13.512 -3.495 -10.430 1.00 1.00 H new ATOM 0 HB3 HIS A 119 14.237 -2.135 -11.264 1.00 1.00 H new ATOM 0 HD2 HIS A 119 16.007 -0.832 -9.864 1.00 1.00 H new ATOM 0 HE1 HIS A 119 14.750 -1.909 -5.941 1.00 1.00 H new ATOM 0 HE2 HIS A 119 16.525 -0.661 -7.298 1.00 1.00 H new ATOM 1777 N ILE A 120 12.693 0.183 -12.000 1.00 1.00 N ATOM 1778 CA ILE A 120 12.843 1.606 -12.369 1.00 1.00 C ATOM 1779 C ILE A 120 11.534 2.396 -12.207 1.00 1.00 C ATOM 1780 O ILE A 120 11.548 3.508 -11.672 1.00 1.00 O ATOM 1781 CB ILE A 120 13.473 1.739 -13.775 1.00 1.00 C ATOM 1782 CG1 ILE A 120 14.863 1.053 -13.761 1.00 1.00 C ATOM 1783 CG2 ILE A 120 13.594 3.218 -14.195 1.00 1.00 C ATOM 1784 CD1 ILE A 120 15.616 1.088 -15.097 1.00 1.00 C ATOM 0 H ILE A 120 12.905 -0.451 -12.770 1.00 1.00 H new ATOM 0 HA ILE A 120 13.536 2.067 -11.665 1.00 1.00 H new ATOM 0 HB ILE A 120 12.829 1.251 -14.507 1.00 1.00 H new ATOM 0 HG12 ILE A 120 15.480 1.532 -13.001 1.00 1.00 H new ATOM 0 HG13 ILE A 120 14.735 0.013 -13.460 1.00 1.00 H new ATOM 0 HG21 ILE A 120 14.040 3.279 -15.188 1.00 1.00 H new ATOM 0 HG22 ILE A 120 12.604 3.673 -14.214 1.00 1.00 H new ATOM 0 HG23 ILE A 120 14.224 3.749 -13.481 1.00 1.00 H new ATOM 0 HD11 ILE A 120 16.576 0.584 -14.987 1.00 1.00 H new ATOM 0 HD12 ILE A 120 15.026 0.582 -15.861 1.00 1.00 H new ATOM 0 HD13 ILE A 120 15.782 2.124 -15.394 1.00 1.00 H new ATOM 1796 N LYS A 121 10.390 1.812 -12.583 1.00 1.00 N ATOM 1797 CA LYS A 121 9.051 2.401 -12.381 1.00 1.00 C ATOM 1798 C LYS A 121 8.790 2.683 -10.896 1.00 1.00 C ATOM 1799 O LYS A 121 8.212 3.712 -10.546 1.00 1.00 O ATOM 1800 CB LYS A 121 7.988 1.451 -12.963 1.00 1.00 C ATOM 1801 CG LYS A 121 7.964 1.487 -14.501 1.00 1.00 C ATOM 1802 CD LYS A 121 7.192 0.296 -15.078 1.00 1.00 C ATOM 1803 CE LYS A 121 7.092 0.417 -16.603 1.00 1.00 C ATOM 1804 NZ LYS A 121 6.518 -0.810 -17.213 1.00 1.00 N ATOM 0 H LYS A 121 10.363 0.902 -13.044 1.00 1.00 H new ATOM 0 HA LYS A 121 8.998 3.357 -12.902 1.00 1.00 H new ATOM 0 HB2 LYS A 121 8.188 0.434 -12.627 1.00 1.00 H new ATOM 0 HB3 LYS A 121 7.006 1.726 -12.578 1.00 1.00 H new ATOM 0 HG2 LYS A 121 7.505 2.417 -14.837 1.00 1.00 H new ATOM 0 HG3 LYS A 121 8.985 1.479 -14.882 1.00 1.00 H new ATOM 0 HD2 LYS A 121 7.693 -0.635 -14.812 1.00 1.00 H new ATOM 0 HD3 LYS A 121 6.193 0.256 -14.643 1.00 1.00 H new ATOM 0 HE2 LYS A 121 6.472 1.276 -16.860 1.00 1.00 H new ATOM 0 HE3 LYS A 121 8.082 0.602 -17.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 6.465 -0.693 -18.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 7.123 -1.625 -16.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 5.563 -0.972 -16.834 1.00 1.00 H new ATOM 1818 N ASN A 122 9.273 1.801 -10.017 1.00 1.00 N ATOM 1819 CA ASN A 122 9.180 1.959 -8.567 1.00 1.00 C ATOM 1820 C ASN A 122 10.231 2.937 -8.006 1.00 1.00 C ATOM 1821 O ASN A 122 9.923 3.622 -7.033 1.00 1.00 O ATOM 1822 CB ASN A 122 9.240 0.582 -7.899 1.00 1.00 C ATOM 1823 CG ASN A 122 7.908 -0.143 -8.003 1.00 1.00 C ATOM 1824 OD1 ASN A 122 7.013 0.054 -7.194 1.00 1.00 O ATOM 1825 ND2 ASN A 122 7.713 -0.984 -8.993 1.00 1.00 N ATOM 0 H ASN A 122 9.747 0.943 -10.300 1.00 1.00 H new ATOM 0 HA ASN A 122 8.219 2.416 -8.332 1.00 1.00 H new ATOM 0 HB2 ASN A 122 10.020 -0.018 -8.368 1.00 1.00 H new ATOM 0 HB3 ASN A 122 9.513 0.696 -6.850 1.00 1.00 H new ATOM 0 HD21 ASN A 122 6.819 -1.468 -9.083 1.00 1.00 H new ATOM 0 HD22 ASN A 122 8.455 -1.153 -9.672 1.00 1.00 H new