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 92:sc= -0.475 USER MOD Set 1.2: A 100 CYS SG : rot 163:sc= 0.351 USER MOD Set 1.3: A 102 MET CE :methyl 158:sc= -0.123 (180deg=-0.164) USER MOD Set 1.4: A 113 HIS : no HE2:sc= 0.209 K(o=0.78,f=-0.89) USER MOD Set 1.5: A 119 HIS : no HD1:sc= 0 X(o=0.78,f=0.76) USER MOD Set 1.6: A 122 ASN : amide:sc= 0.821 K(o=0.78,f=-0.04) USER MOD Set 2.1: A 36 CYS SG : rot 58:sc= 0.202 USER MOD Set 2.2: A 39 CYS SG : rot 134:sc= 0.2 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.302 K(o=-0.082,f=-0.89) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.181 X(o=-0.082,f=-0.57) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0.306 USER MOD Set 3.2: A 48 GLN : amide:sc= 0.312 X(o=0.62,f=0.5) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.24) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 82:sc= 0.505 USER MOD Single : A 27 ASN : amide:sc= 0.764 K(o=0.76,f=-0.018) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.29 K(o=0.29,f=-2.9!) USER MOD Single : A 32 SER OG : rot -46:sc= 0.894 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.874 (180deg=0.863) USER MOD Single : A 40 SER OG : rot -4:sc= 0.0383 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 2.42 (180deg=1.2) USER MOD Single : A 53 TYR OH : rot -165:sc= 0.959 USER MOD Single : A 54 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.11) USER MOD Single : A 94 SER OG : rot 31:sc= 0.211 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0.712 (180deg=0.71) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 106 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 4:sc= 0.68 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.712 8.097 15.097 1.00 1.00 N ATOM 189 CA GLY A 16 -17.707 7.643 16.493 1.00 1.00 C ATOM 190 C GLY A 16 -16.759 6.463 16.726 1.00 1.00 C ATOM 191 O GLY A 16 -16.298 5.835 15.768 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.416 8.471 17.139 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.718 7.354 16.781 1.00 1.00 H new ATOM 195 N LYS A 17 -16.471 6.144 17.998 1.00 1.00 N ATOM 196 CA LYS A 17 -15.559 5.043 18.378 1.00 1.00 C ATOM 197 C LYS A 17 -15.974 3.700 17.779 1.00 1.00 C ATOM 198 O LYS A 17 -15.132 2.962 17.277 1.00 1.00 O ATOM 199 CB LYS A 17 -15.454 4.891 19.904 1.00 1.00 C ATOM 200 CG LYS A 17 -14.964 6.156 20.621 1.00 1.00 C ATOM 201 CD LYS A 17 -14.301 5.780 21.955 1.00 1.00 C ATOM 202 CE LYS A 17 -13.841 7.018 22.735 1.00 1.00 C ATOM 203 NZ LYS A 17 -13.009 6.630 23.903 1.00 1.00 N ATOM 0 H LYS A 17 -16.863 6.642 18.797 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.587 5.320 17.970 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -16.431 4.616 20.300 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -14.775 4.070 20.132 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.253 6.690 19.990 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.801 6.831 20.799 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -15.004 5.210 22.562 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -13.445 5.132 21.765 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -13.270 7.675 22.079 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.710 7.583 23.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -12.696 7.485 24.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -13.570 6.036 24.547 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -12.178 6.097 23.576 1.00 1.00 H new ATOM 217 N ASP A 18 -17.272 3.397 17.813 1.00 1.00 N ATOM 218 CA ASP A 18 -17.850 2.156 17.275 1.00 1.00 C ATOM 219 C ASP A 18 -17.595 1.995 15.767 1.00 1.00 C ATOM 220 O ASP A 18 -17.235 0.906 15.311 1.00 1.00 O ATOM 221 CB ASP A 18 -19.359 2.121 17.561 1.00 1.00 C ATOM 222 CG ASP A 18 -19.661 2.045 19.067 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.631 0.927 19.635 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.933 3.103 19.683 1.00 1.00 O ATOM 0 H ASP A 18 -17.969 4.018 18.223 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.357 1.322 17.774 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.828 3.012 17.142 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.803 1.261 17.059 1.00 1.00 H new ATOM 229 N ALA A 19 -17.732 3.079 14.993 1.00 1.00 N ATOM 230 CA ALA A 19 -17.466 3.073 13.556 1.00 1.00 C ATOM 231 C ALA A 19 -15.966 2.902 13.269 1.00 1.00 C ATOM 232 O ALA A 19 -15.599 2.102 12.411 1.00 1.00 O ATOM 233 CB ALA A 19 -18.014 4.358 12.928 1.00 1.00 C ATOM 0 H ALA A 19 -18.032 3.986 15.351 1.00 1.00 H new ATOM 0 HA ALA A 19 -17.974 2.220 13.106 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.815 4.353 11.856 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.089 4.416 13.097 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.528 5.221 13.383 1.00 1.00 H new ATOM 239 N VAL A 20 -15.092 3.603 14.006 1.00 1.00 N ATOM 240 CA VAL A 20 -13.628 3.465 13.864 1.00 1.00 C ATOM 241 C VAL A 20 -13.188 2.036 14.212 1.00 1.00 C ATOM 242 O VAL A 20 -12.427 1.427 13.463 1.00 1.00 O ATOM 243 CB VAL A 20 -12.877 4.512 14.713 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.362 4.278 14.688 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.137 5.927 14.179 1.00 1.00 C ATOM 0 H VAL A 20 -15.374 4.280 14.715 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.368 3.655 12.822 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.247 4.411 15.733 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.867 5.035 15.297 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.140 3.288 15.088 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.000 4.344 13.662 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.599 6.651 14.791 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.792 5.996 13.147 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.205 6.140 14.219 1.00 1.00 H new ATOM 255 N ASN A 21 -13.703 1.463 15.304 1.00 1.00 N ATOM 256 CA ASN A 21 -13.426 0.087 15.708 1.00 1.00 C ATOM 257 C ASN A 21 -13.877 -0.911 14.625 1.00 1.00 C ATOM 258 O ASN A 21 -13.124 -1.818 14.272 1.00 1.00 O ATOM 259 CB ASN A 21 -14.126 -0.142 17.056 1.00 1.00 C ATOM 260 CG ASN A 21 -14.044 -1.583 17.523 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.979 -2.127 17.780 1.00 1.00 O ATOM 262 ND2 ASN A 21 -15.173 -2.241 17.637 1.00 1.00 N ATOM 0 H ASN A 21 -14.333 1.952 15.940 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.355 -0.079 15.825 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.676 0.505 17.809 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.173 0.149 16.971 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -15.167 -3.214 17.942 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -16.056 -1.779 17.421 1.00 1.00 H new ATOM 269 N SER A 22 -15.073 -0.724 14.055 1.00 1.00 N ATOM 270 CA SER A 22 -15.592 -1.564 12.964 1.00 1.00 C ATOM 271 C SER A 22 -14.749 -1.456 11.689 1.00 1.00 C ATOM 272 O SER A 22 -14.462 -2.467 11.046 1.00 1.00 O ATOM 273 CB SER A 22 -17.049 -1.202 12.657 1.00 1.00 C ATOM 274 OG SER A 22 -17.877 -1.558 13.756 1.00 1.00 O ATOM 0 H SER A 22 -15.713 0.018 14.338 1.00 1.00 H new ATOM 0 HA SER A 22 -15.536 -2.597 13.307 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.133 -0.134 12.458 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.380 -1.721 11.758 1.00 1.00 H new ATOM 0 HG SER A 22 -17.829 -0.859 14.442 1.00 1.00 H new ATOM 280 N LEU A 23 -14.308 -0.244 11.342 1.00 1.00 N ATOM 281 CA LEU A 23 -13.443 0.028 10.192 1.00 1.00 C ATOM 282 C LEU A 23 -12.087 -0.677 10.344 1.00 1.00 C ATOM 283 O LEU A 23 -11.621 -1.305 9.393 1.00 1.00 O ATOM 284 CB LEU A 23 -13.318 1.560 10.067 1.00 1.00 C ATOM 285 CG LEU A 23 -12.587 2.081 8.822 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.338 1.746 7.533 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.483 3.602 8.923 1.00 1.00 C ATOM 0 H LEU A 23 -14.549 0.597 11.867 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.870 -0.371 9.272 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.321 1.988 10.080 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.800 1.935 10.950 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.607 1.605 8.785 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.784 2.134 6.678 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.438 0.665 7.441 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.328 2.201 7.560 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.966 3.990 8.046 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.483 4.032 8.975 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.926 3.870 9.821 1.00 1.00 H new ATOM 299 N ILE A 24 -11.487 -0.627 11.541 1.00 1.00 N ATOM 300 CA ILE A 24 -10.235 -1.328 11.869 1.00 1.00 C ATOM 301 C ILE A 24 -10.444 -2.852 11.819 1.00 1.00 C ATOM 302 O ILE A 24 -9.641 -3.558 11.211 1.00 1.00 O ATOM 303 CB ILE A 24 -9.706 -0.868 13.251 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.232 0.604 13.206 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.549 -1.768 13.727 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.065 1.224 14.602 1.00 1.00 C ATOM 0 H ILE A 24 -11.863 -0.090 12.322 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.480 -1.074 11.124 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.532 -0.950 13.957 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.282 0.658 12.675 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -9.950 1.194 12.636 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.196 -1.423 14.699 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.899 -2.797 13.812 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.732 -1.721 13.007 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.731 2.257 14.504 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.020 1.200 15.127 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.326 0.656 15.166 1.00 1.00 H new ATOM 318 N ARG A 25 -11.526 -3.369 12.424 1.00 1.00 N ATOM 319 CA ARG A 25 -11.870 -4.806 12.468 1.00 1.00 C ATOM 320 C ARG A 25 -11.989 -5.425 11.074 1.00 1.00 C ATOM 321 O ARG A 25 -11.455 -6.506 10.828 1.00 1.00 O ATOM 322 CB ARG A 25 -13.192 -4.964 13.253 1.00 1.00 C ATOM 323 CG ARG A 25 -13.715 -6.402 13.346 1.00 1.00 C ATOM 324 CD ARG A 25 -15.089 -6.492 14.029 1.00 1.00 C ATOM 325 NE ARG A 25 -16.156 -5.864 13.214 1.00 1.00 N ATOM 326 CZ ARG A 25 -16.957 -4.872 13.560 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.958 -4.343 14.750 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.773 -4.343 12.701 1.00 1.00 N ATOM 0 H ARG A 25 -12.207 -2.785 12.910 1.00 1.00 H new ATOM 0 HA ARG A 25 -11.063 -5.342 12.967 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.047 -4.579 14.262 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.955 -4.344 12.781 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.784 -6.824 12.344 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.999 -7.009 13.899 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -15.337 -7.538 14.207 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -15.042 -6.005 15.003 1.00 1.00 H new ATOM 0 HE ARG A 25 -16.287 -6.242 12.276 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -16.320 -4.694 15.465 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -17.597 -3.578 14.967 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -17.802 -4.693 11.743 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -18.385 -3.578 12.984 1.00 1.00 H new ATOM 342 N GLU A 26 -12.700 -4.756 10.172 1.00 1.00 N ATOM 343 CA GLU A 26 -12.977 -5.241 8.810 1.00 1.00 C ATOM 344 C GLU A 26 -11.852 -4.962 7.791 1.00 1.00 C ATOM 345 O GLU A 26 -11.903 -5.470 6.670 1.00 1.00 O ATOM 346 CB GLU A 26 -14.343 -4.689 8.362 1.00 1.00 C ATOM 347 CG GLU A 26 -15.466 -5.372 9.166 1.00 1.00 C ATOM 348 CD GLU A 26 -16.858 -4.748 8.958 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.213 -4.362 7.816 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.625 -4.685 9.950 1.00 1.00 O ATOM 0 H GLU A 26 -13.111 -3.843 10.364 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.015 -6.330 8.843 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.378 -3.610 8.514 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.486 -4.866 7.296 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.507 -6.425 8.889 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.216 -5.330 10.226 1.00 1.00 H new ATOM 357 N ASN A 27 -10.820 -4.197 8.173 1.00 1.00 N ATOM 358 CA ASN A 27 -9.655 -3.864 7.337 1.00 1.00 C ATOM 359 C ASN A 27 -8.326 -4.027 8.113 1.00 1.00 C ATOM 360 O ASN A 27 -7.386 -3.246 7.944 1.00 1.00 O ATOM 361 CB ASN A 27 -9.822 -2.449 6.760 1.00 1.00 C ATOM 362 CG ASN A 27 -11.089 -2.261 5.948 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.145 -2.543 4.758 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.141 -1.773 6.565 1.00 1.00 N ATOM 0 H ASN A 27 -10.770 -3.779 9.102 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.606 -4.569 6.507 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.818 -1.730 7.580 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.962 -2.220 6.131 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.011 -1.627 6.052 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.088 -1.540 7.557 1.00 1.00 H new ATOM 371 N SER A 28 -8.250 -5.037 8.988 1.00 1.00 N ATOM 372 CA SER A 28 -7.099 -5.337 9.862 1.00 1.00 C ATOM 373 C SER A 28 -5.747 -5.507 9.148 1.00 1.00 C ATOM 374 O SER A 28 -4.690 -5.398 9.774 1.00 1.00 O ATOM 375 CB SER A 28 -7.407 -6.574 10.711 1.00 1.00 C ATOM 376 OG SER A 28 -7.650 -7.705 9.885 1.00 1.00 O ATOM 0 H SER A 28 -9.017 -5.697 9.115 1.00 1.00 H new ATOM 0 HA SER A 28 -6.973 -4.451 10.484 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.571 -6.779 11.380 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.277 -6.383 11.339 1.00 1.00 H new ATOM 0 HG SER A 28 -7.843 -8.485 10.446 1.00 1.00 H new ATOM 382 N HIS A 29 -5.758 -5.746 7.833 1.00 1.00 N ATOM 383 CA HIS A 29 -4.573 -5.871 6.977 1.00 1.00 C ATOM 384 C HIS A 29 -3.924 -4.519 6.625 1.00 1.00 C ATOM 385 O HIS A 29 -2.744 -4.498 6.264 1.00 1.00 O ATOM 386 CB HIS A 29 -4.966 -6.638 5.701 1.00 1.00 C ATOM 387 CG HIS A 29 -6.015 -5.970 4.836 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.275 -5.529 5.260 1.00 1.00 N ATOM 389 CD2 HIS A 29 -5.901 -5.736 3.497 1.00 1.00 C ATOM 390 CE1 HIS A 29 -7.879 -5.028 4.168 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.076 -5.138 3.097 1.00 1.00 N ATOM 0 H HIS A 29 -6.628 -5.863 7.314 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.815 -6.420 7.536 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.070 -6.793 5.100 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.331 -7.624 5.989 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.053 -5.974 2.871 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.870 -4.598 4.154 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.298 -4.831 2.150 1.00 1.00 H new ATOM 399 N ILE A 30 -4.660 -3.404 6.740 1.00 1.00 N ATOM 400 CA ILE A 30 -4.204 -2.036 6.400 1.00 1.00 C ATOM 401 C ILE A 30 -4.452 -0.978 7.492 1.00 1.00 C ATOM 402 O ILE A 30 -3.798 0.067 7.478 1.00 1.00 O ATOM 403 CB ILE A 30 -4.801 -1.577 5.048 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.348 -1.610 5.056 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.193 -2.398 3.898 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.011 -1.136 3.757 1.00 1.00 C ATOM 0 H ILE A 30 -5.621 -3.423 7.083 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.120 -2.112 6.318 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.533 -0.533 4.887 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.674 -2.629 5.262 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.706 -0.989 5.877 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.619 -2.068 2.951 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.113 -2.254 3.880 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.416 -3.454 4.048 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.095 -1.195 3.859 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.721 -0.105 3.556 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.689 -1.771 2.931 1.00 1.00 H new ATOM 418 N PHE A 31 -5.332 -1.246 8.458 1.00 1.00 N ATOM 419 CA PHE A 31 -5.635 -0.380 9.605 1.00 1.00 C ATOM 420 C PHE A 31 -5.461 -1.172 10.909 1.00 1.00 C ATOM 421 O PHE A 31 -5.682 -2.384 10.949 1.00 1.00 O ATOM 422 CB PHE A 31 -7.088 0.127 9.538 1.00 1.00 C ATOM 423 CG PHE A 31 -7.552 0.865 8.293 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.681 1.656 7.517 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.908 0.775 7.928 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.155 2.289 6.354 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.378 1.390 6.757 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.496 2.136 5.961 1.00 1.00 C ATOM 0 H PHE A 31 -5.877 -2.108 8.465 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.952 0.469 9.578 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.744 -0.733 9.675 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.246 0.787 10.391 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.650 1.776 7.815 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.595 0.227 8.556 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.486 2.895 5.761 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.414 1.289 6.470 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.847 2.592 5.047 1.00 1.00 H new ATOM 438 N SER A 32 -5.087 -0.490 11.989 1.00 1.00 N ATOM 439 CA SER A 32 -4.907 -1.084 13.320 1.00 1.00 C ATOM 440 C SER A 32 -5.129 -0.061 14.439 1.00 1.00 C ATOM 441 O SER A 32 -5.207 1.148 14.202 1.00 1.00 O ATOM 442 CB SER A 32 -3.512 -1.717 13.437 1.00 1.00 C ATOM 443 OG SER A 32 -2.507 -0.725 13.473 1.00 1.00 O ATOM 0 H SER A 32 -4.896 0.512 11.967 1.00 1.00 H new ATOM 0 HA SER A 32 -5.662 -1.862 13.438 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.460 -2.326 14.340 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.339 -2.384 12.592 1.00 1.00 H new ATOM 0 HG SER A 32 -2.677 -0.062 12.772 1.00 1.00 H new ATOM 449 N ASP A 33 -5.205 -0.551 15.677 1.00 1.00 N ATOM 450 CA ASP A 33 -5.381 0.258 16.889 1.00 1.00 C ATOM 451 C ASP A 33 -4.255 1.291 17.123 1.00 1.00 C ATOM 452 O ASP A 33 -4.451 2.246 17.875 1.00 1.00 O ATOM 453 CB ASP A 33 -5.478 -0.716 18.075 1.00 1.00 C ATOM 454 CG ASP A 33 -5.860 -0.021 19.391 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.974 0.546 19.459 1.00 1.00 O ATOM 456 OD2 ASP A 33 -5.076 -0.087 20.368 1.00 1.00 O ATOM 0 H ASP A 33 -5.144 -1.550 15.872 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.287 0.854 16.777 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.217 -1.484 17.848 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.521 -1.222 18.202 1.00 1.00 H new ATOM 461 N THR A 34 -3.084 1.111 16.491 1.00 1.00 N ATOM 462 CA THR A 34 -1.896 1.973 16.664 1.00 1.00 C ATOM 463 C THR A 34 -1.191 2.412 15.370 1.00 1.00 C ATOM 464 O THR A 34 -0.156 3.075 15.456 1.00 1.00 O ATOM 465 CB THR A 34 -0.871 1.319 17.616 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.501 0.027 17.167 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.409 1.163 19.039 1.00 1.00 C ATOM 0 H THR A 34 -2.930 0.348 15.832 1.00 1.00 H new ATOM 0 HA THR A 34 -2.300 2.888 17.098 1.00 1.00 H new ATOM 0 HB THR A 34 -0.013 1.991 17.619 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.150 -0.361 17.788 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.649 0.698 19.667 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.662 2.144 19.442 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.300 0.536 19.024 1.00 1.00 H new ATOM 475 N GLN A 35 -1.699 2.091 14.173 1.00 1.00 N ATOM 476 CA GLN A 35 -1.080 2.487 12.893 1.00 1.00 C ATOM 477 C GLN A 35 -2.037 2.362 11.690 1.00 1.00 C ATOM 478 O GLN A 35 -2.798 1.397 11.593 1.00 1.00 O ATOM 479 CB GLN A 35 0.158 1.589 12.650 1.00 1.00 C ATOM 480 CG GLN A 35 1.032 2.011 11.455 1.00 1.00 C ATOM 481 CD GLN A 35 2.256 1.111 11.276 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.188 -0.111 11.323 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.428 1.670 11.052 1.00 1.00 N ATOM 0 H GLN A 35 -2.554 1.547 14.060 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.808 3.539 12.972 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.772 1.589 13.550 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.178 0.564 12.493 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.433 1.988 10.545 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.360 3.041 11.595 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.509 2.686 11.009 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.255 1.087 10.922 1.00 1.00 H new ATOM 492 N CYS A 36 -1.921 3.284 10.729 1.00 1.00 N ATOM 493 CA CYS A 36 -2.638 3.265 9.445 1.00 1.00 C ATOM 494 C CYS A 36 -1.605 3.116 8.314 1.00 1.00 C ATOM 495 O CYS A 36 -0.788 4.016 8.098 1.00 1.00 O ATOM 496 CB CYS A 36 -3.440 4.563 9.258 1.00 1.00 C ATOM 497 SG CYS A 36 -4.341 4.668 7.683 1.00 1.00 S ATOM 0 H CYS A 36 -1.306 4.092 10.824 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.338 2.430 9.427 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.153 4.657 10.077 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.758 5.411 9.330 1.00 1.00 H new ATOM 0 HG CYS A 36 -5.152 3.658 7.579 1.00 1.00 H new ATOM 502 N LYS A 37 -1.628 1.996 7.579 1.00 1.00 N ATOM 503 CA LYS A 37 -0.684 1.729 6.475 1.00 1.00 C ATOM 504 C LYS A 37 -1.020 2.502 5.200 1.00 1.00 C ATOM 505 O LYS A 37 -0.110 2.902 4.479 1.00 1.00 O ATOM 506 CB LYS A 37 -0.654 0.232 6.137 1.00 1.00 C ATOM 507 CG LYS A 37 -0.303 -0.669 7.330 1.00 1.00 C ATOM 508 CD LYS A 37 -0.094 -2.095 6.813 1.00 1.00 C ATOM 509 CE LYS A 37 -0.027 -3.108 7.961 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.089 -4.499 7.442 1.00 1.00 N ATOM 0 H LYS A 37 -2.302 1.245 7.730 1.00 1.00 H new ATOM 0 HA LYS A 37 0.290 2.064 6.831 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.628 -0.062 5.747 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.072 0.064 5.341 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.599 -0.309 7.825 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.103 -0.647 8.070 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.908 -2.361 6.139 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.828 -2.141 6.233 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.896 -2.966 8.524 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.852 -2.936 8.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.026 -5.169 8.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.009 -4.658 6.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.673 -4.645 6.749 1.00 1.00 H new ATOM 524 N VAL A 38 -2.307 2.740 4.922 1.00 1.00 N ATOM 525 CA VAL A 38 -2.757 3.490 3.724 1.00 1.00 C ATOM 526 C VAL A 38 -2.204 4.920 3.715 1.00 1.00 C ATOM 527 O VAL A 38 -1.890 5.460 2.655 1.00 1.00 O ATOM 528 CB VAL A 38 -4.295 3.498 3.596 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.743 4.126 2.273 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.856 2.075 3.642 1.00 1.00 C ATOM 0 H VAL A 38 -3.073 2.422 5.516 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.355 2.968 2.856 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.672 4.084 4.434 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.831 4.116 2.215 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.387 5.155 2.219 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.330 3.555 1.441 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.942 2.109 3.550 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.440 1.493 2.820 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.587 1.608 4.589 1.00 1.00 H new ATOM 540 N CYS A 39 -2.043 5.516 4.900 1.00 1.00 N ATOM 541 CA CYS A 39 -1.510 6.856 5.118 1.00 1.00 C ATOM 542 C CYS A 39 -0.107 6.832 5.766 1.00 1.00 C ATOM 543 O CYS A 39 0.397 7.879 6.178 1.00 1.00 O ATOM 544 CB CYS A 39 -2.538 7.582 5.985 1.00 1.00 C ATOM 545 SG CYS A 39 -4.205 7.633 5.265 1.00 1.00 S ATOM 0 H CYS A 39 -2.294 5.051 5.773 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.363 7.375 4.171 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.588 7.093 6.958 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.197 8.603 6.158 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.079 7.308 6.171 1.00 1.00 H new ATOM 550 N SER A 40 0.513 5.643 5.857 1.00 1.00 N ATOM 551 CA SER A 40 1.818 5.329 6.466 1.00 1.00 C ATOM 552 C SER A 40 2.139 6.178 7.707 1.00 1.00 C ATOM 553 O SER A 40 3.146 6.892 7.760 1.00 1.00 O ATOM 554 CB SER A 40 2.946 5.407 5.422 1.00 1.00 C ATOM 555 OG SER A 40 2.712 4.517 4.340 1.00 1.00 O ATOM 0 H SER A 40 0.077 4.805 5.473 1.00 1.00 H new ATOM 0 HA SER A 40 1.747 4.302 6.824 1.00 1.00 H new ATOM 0 HB2 SER A 40 3.026 6.427 5.046 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.898 5.166 5.894 1.00 1.00 H new ATOM 0 HG SER A 40 1.903 3.993 4.516 1.00 1.00 H new ATOM 561 N ALA A 41 1.249 6.120 8.700 1.00 1.00 N ATOM 562 CA ALA A 41 1.328 6.918 9.928 1.00 1.00 C ATOM 563 C ALA A 41 1.009 6.112 11.196 1.00 1.00 C ATOM 564 O ALA A 41 0.096 5.283 11.218 1.00 1.00 O ATOM 565 CB ALA A 41 0.366 8.106 9.784 1.00 1.00 C ATOM 0 H ALA A 41 0.436 5.505 8.673 1.00 1.00 H new ATOM 0 HA ALA A 41 2.356 7.260 10.050 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.405 8.717 10.686 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.658 8.709 8.924 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.649 7.737 9.640 1.00 1.00 H new ATOM 571 N VAL A 42 1.756 6.388 12.270 1.00 1.00 N ATOM 572 CA VAL A 42 1.587 5.766 13.595 1.00 1.00 C ATOM 573 C VAL A 42 0.561 6.570 14.408 1.00 1.00 C ATOM 574 O VAL A 42 0.435 7.787 14.258 1.00 1.00 O ATOM 575 CB VAL A 42 2.945 5.666 14.327 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.844 4.977 15.695 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.954 4.853 13.502 1.00 1.00 C ATOM 0 H VAL A 42 2.516 7.068 12.245 1.00 1.00 H new ATOM 0 HA VAL A 42 1.212 4.750 13.476 1.00 1.00 H new ATOM 0 HB VAL A 42 3.270 6.698 14.462 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.831 4.939 16.157 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.165 5.539 16.336 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.465 3.963 15.565 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.901 4.797 14.038 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.567 3.846 13.343 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.111 5.338 12.538 1.00 1.00 H new ATOM 587 N LEU A 43 -0.190 5.872 15.258 1.00 1.00 N ATOM 588 CA LEU A 43 -1.308 6.369 16.065 1.00 1.00 C ATOM 589 C LEU A 43 -1.083 5.981 17.537 1.00 1.00 C ATOM 590 O LEU A 43 -1.735 5.092 18.082 1.00 1.00 O ATOM 591 CB LEU A 43 -2.620 5.816 15.452 1.00 1.00 C ATOM 592 CG LEU A 43 -2.821 6.148 13.957 1.00 1.00 C ATOM 593 CD1 LEU A 43 -3.964 5.332 13.358 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.096 7.636 13.751 1.00 1.00 C ATOM 0 H LEU A 43 -0.024 4.878 15.413 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.380 7.457 16.053 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.635 4.733 15.575 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.464 6.213 16.016 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.894 5.887 13.446 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.081 5.588 12.305 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.740 4.269 13.450 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.889 5.555 13.890 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.233 7.837 12.688 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -3.999 7.918 14.293 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.253 8.217 14.124 1.00 1.00 H new ATOM 606 N ILE A 44 -0.087 6.624 18.160 1.00 1.00 N ATOM 607 CA ILE A 44 0.404 6.369 19.533 1.00 1.00 C ATOM 608 C ILE A 44 -0.647 6.361 20.665 1.00 1.00 C ATOM 609 O ILE A 44 -0.382 5.790 21.726 1.00 1.00 O ATOM 610 CB ILE A 44 1.558 7.339 19.886 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.104 8.819 19.876 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.757 7.105 18.948 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.168 9.797 20.391 1.00 1.00 C ATOM 0 H ILE A 44 0.429 7.376 17.702 1.00 1.00 H new ATOM 0 HA ILE A 44 0.751 5.337 19.490 1.00 1.00 H new ATOM 0 HB ILE A 44 1.873 7.124 20.907 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.829 9.098 18.859 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.207 8.918 20.487 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.561 7.793 19.207 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.109 6.079 19.056 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.451 7.277 17.916 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.776 10.814 20.354 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.426 9.545 21.420 1.00 1.00 H new ATOM 0 HD13 ILE A 44 3.058 9.728 19.766 1.00 1.00 H new ATOM 625 N SER A 45 -1.826 6.956 20.456 1.00 1.00 N ATOM 626 CA SER A 45 -2.929 7.014 21.430 1.00 1.00 C ATOM 627 C SER A 45 -4.289 6.962 20.726 1.00 1.00 C ATOM 628 O SER A 45 -4.404 7.318 19.551 1.00 1.00 O ATOM 629 CB SER A 45 -2.857 8.307 22.264 1.00 1.00 C ATOM 630 OG SER A 45 -1.606 8.465 22.916 1.00 1.00 O ATOM 0 H SER A 45 -2.049 7.426 19.579 1.00 1.00 H new ATOM 0 HA SER A 45 -2.825 6.149 22.085 1.00 1.00 H new ATOM 0 HB2 SER A 45 -3.036 9.164 21.615 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.653 8.300 23.009 1.00 1.00 H new ATOM 0 HG SER A 45 -1.608 9.299 23.430 1.00 1.00 H new ATOM 636 N GLU A 46 -5.341 6.557 21.446 1.00 1.00 N ATOM 637 CA GLU A 46 -6.707 6.473 20.902 1.00 1.00 C ATOM 638 C GLU A 46 -7.201 7.811 20.334 1.00 1.00 C ATOM 639 O GLU A 46 -7.849 7.815 19.293 1.00 1.00 O ATOM 640 CB GLU A 46 -7.663 5.912 21.967 1.00 1.00 C ATOM 641 CG GLU A 46 -9.094 5.785 21.427 1.00 1.00 C ATOM 642 CD GLU A 46 -9.925 4.781 22.234 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.780 3.561 21.974 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.740 5.207 23.090 1.00 1.00 O ATOM 0 H GLU A 46 -5.272 6.277 22.424 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.687 5.785 20.057 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.309 4.935 22.297 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.659 6.564 22.841 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.579 6.761 21.453 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.061 5.473 20.383 1.00 1.00 H new ATOM 651 N SER A 47 -6.855 8.952 20.938 1.00 1.00 N ATOM 652 CA SER A 47 -7.226 10.269 20.397 1.00 1.00 C ATOM 653 C SER A 47 -6.658 10.508 18.993 1.00 1.00 C ATOM 654 O SER A 47 -7.343 11.064 18.134 1.00 1.00 O ATOM 655 CB SER A 47 -6.766 11.382 21.338 1.00 1.00 C ATOM 656 OG SER A 47 -5.354 11.345 21.517 1.00 1.00 O ATOM 0 H SER A 47 -6.317 8.993 21.804 1.00 1.00 H new ATOM 0 HA SER A 47 -8.313 10.282 20.317 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.060 12.350 20.933 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.262 11.276 22.303 1.00 1.00 H new ATOM 0 HG SER A 47 -5.082 12.067 22.121 1.00 1.00 H new ATOM 662 N GLN A 48 -5.431 10.036 18.732 1.00 1.00 N ATOM 663 CA GLN A 48 -4.795 10.133 17.418 1.00 1.00 C ATOM 664 C GLN A 48 -5.501 9.203 16.429 1.00 1.00 C ATOM 665 O GLN A 48 -5.815 9.622 15.317 1.00 1.00 O ATOM 666 CB GLN A 48 -3.295 9.783 17.484 1.00 1.00 C ATOM 667 CG GLN A 48 -2.506 10.520 18.575 1.00 1.00 C ATOM 668 CD GLN A 48 -2.689 12.038 18.540 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.124 12.740 17.711 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.486 12.608 19.422 1.00 1.00 N ATOM 0 H GLN A 48 -4.852 9.574 19.433 1.00 1.00 H new ATOM 0 HA GLN A 48 -4.883 11.166 17.080 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.194 8.710 17.646 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -2.843 10.004 16.517 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.816 10.147 19.551 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.447 10.287 18.466 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.965 12.038 20.120 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.624 13.619 19.407 1.00 1.00 H new ATOM 679 N LYS A 49 -5.791 7.959 16.841 1.00 1.00 N ATOM 680 CA LYS A 49 -6.502 6.973 16.009 1.00 1.00 C ATOM 681 C LYS A 49 -7.892 7.482 15.621 1.00 1.00 C ATOM 682 O LYS A 49 -8.248 7.481 14.446 1.00 1.00 O ATOM 683 CB LYS A 49 -6.478 5.585 16.710 1.00 1.00 C ATOM 684 CG LYS A 49 -7.828 5.011 17.178 1.00 1.00 C ATOM 685 CD LYS A 49 -7.688 3.724 18.005 1.00 1.00 C ATOM 686 CE LYS A 49 -9.092 3.274 18.427 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.078 2.309 19.555 1.00 1.00 N ATOM 0 H LYS A 49 -5.538 7.606 17.764 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.989 6.836 15.057 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.025 4.868 16.025 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.822 5.656 17.577 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.347 5.762 17.773 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.450 4.809 16.306 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.199 2.946 17.419 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.065 3.901 18.882 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.677 4.148 18.712 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.593 2.819 17.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.771 1.555 19.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.129 1.893 19.644 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.324 2.802 20.437 1.00 1.00 H new ATOM 701 N LEU A 50 -8.648 7.993 16.592 1.00 1.00 N ATOM 702 CA LEU A 50 -9.984 8.548 16.387 1.00 1.00 C ATOM 703 C LEU A 50 -9.951 9.767 15.461 1.00 1.00 C ATOM 704 O LEU A 50 -10.787 9.858 14.565 1.00 1.00 O ATOM 705 CB LEU A 50 -10.636 8.866 17.750 1.00 1.00 C ATOM 706 CG LEU A 50 -11.048 7.619 18.561 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.694 8.041 19.876 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.056 6.717 17.847 1.00 1.00 C ATOM 0 H LEU A 50 -8.341 8.033 17.564 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.600 7.802 15.885 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.940 9.458 18.344 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.518 9.484 17.583 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.125 7.059 18.708 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.981 7.154 20.441 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.984 8.628 20.458 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.579 8.643 19.670 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.294 5.864 18.482 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.966 7.281 17.640 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.627 6.363 16.909 1.00 1.00 H new ATOM 720 N ALA A 51 -9.000 10.687 15.626 1.00 1.00 N ATOM 721 CA ALA A 51 -8.894 11.848 14.743 1.00 1.00 C ATOM 722 C ALA A 51 -8.445 11.468 13.321 1.00 1.00 C ATOM 723 O ALA A 51 -8.990 11.994 12.348 1.00 1.00 O ATOM 724 CB ALA A 51 -7.944 12.868 15.380 1.00 1.00 C ATOM 0 H ALA A 51 -8.294 10.651 16.361 1.00 1.00 H new ATOM 0 HA ALA A 51 -9.884 12.291 14.631 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -7.857 13.739 14.730 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.337 13.176 16.349 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -6.961 12.416 15.514 1.00 1.00 H new ATOM 730 N HIS A 52 -7.485 10.548 13.179 1.00 1.00 N ATOM 731 CA HIS A 52 -6.988 10.112 11.874 1.00 1.00 C ATOM 732 C HIS A 52 -8.061 9.356 11.078 1.00 1.00 C ATOM 733 O HIS A 52 -8.335 9.720 9.935 1.00 1.00 O ATOM 734 CB HIS A 52 -5.731 9.250 12.065 1.00 1.00 C ATOM 735 CG HIS A 52 -5.021 8.927 10.772 1.00 1.00 C ATOM 736 ND1 HIS A 52 -3.862 9.515 10.310 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.416 8.021 9.823 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.575 8.990 9.106 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.502 8.080 8.766 1.00 1.00 N ATOM 0 H HIS A 52 -7.032 10.086 13.967 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.730 10.996 11.291 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.041 9.770 12.729 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.010 8.320 12.560 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.317 10.226 10.798 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.280 7.376 9.881 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.723 9.261 8.500 1.00 1.00 H new ATOM 747 N TYR A 53 -8.706 8.340 11.664 1.00 1.00 N ATOM 748 CA TYR A 53 -9.727 7.551 10.965 1.00 1.00 C ATOM 749 C TYR A 53 -11.002 8.348 10.632 1.00 1.00 C ATOM 750 O TYR A 53 -11.613 8.098 9.592 1.00 1.00 O ATOM 751 CB TYR A 53 -10.024 6.257 11.744 1.00 1.00 C ATOM 752 CG TYR A 53 -8.871 5.257 11.764 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.345 4.768 10.553 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.324 4.800 12.980 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.260 3.872 10.549 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.241 3.899 12.987 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.703 3.437 11.768 1.00 1.00 C ATOM 758 OH TYR A 53 -5.662 2.564 11.770 1.00 1.00 O ATOM 0 H TYR A 53 -8.537 8.044 12.625 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.315 7.279 9.993 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.283 6.516 12.771 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.899 5.776 11.307 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.779 5.084 9.616 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.739 5.144 13.916 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.855 3.518 9.613 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.823 3.563 13.924 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.556 2.183 12.667 1.00 1.00 H new ATOM 768 N GLN A 54 -11.394 9.331 11.456 1.00 1.00 N ATOM 769 CA GLN A 54 -12.561 10.194 11.187 1.00 1.00 C ATOM 770 C GLN A 54 -12.245 11.373 10.243 1.00 1.00 C ATOM 771 O GLN A 54 -13.164 12.076 9.820 1.00 1.00 O ATOM 772 CB GLN A 54 -13.155 10.722 12.502 1.00 1.00 C ATOM 773 CG GLN A 54 -13.722 9.611 13.399 1.00 1.00 C ATOM 774 CD GLN A 54 -14.259 10.181 14.707 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.454 10.317 14.925 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.390 10.550 15.621 1.00 1.00 N ATOM 0 H GLN A 54 -10.913 9.553 12.328 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.291 9.567 10.676 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.384 11.264 13.050 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.947 11.436 12.275 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.520 9.086 12.873 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -12.944 8.878 13.611 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.391 10.440 15.448 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.715 10.946 16.503 1.00 1.00 H new ATOM 785 N SER A 55 -10.973 11.618 9.906 1.00 1.00 N ATOM 786 CA SER A 55 -10.574 12.711 9.007 1.00 1.00 C ATOM 787 C SER A 55 -11.040 12.490 7.564 1.00 1.00 C ATOM 788 O SER A 55 -10.880 11.405 6.992 1.00 1.00 O ATOM 789 CB SER A 55 -9.053 12.884 9.015 1.00 1.00 C ATOM 790 OG SER A 55 -8.686 13.935 8.133 1.00 1.00 O ATOM 0 H SER A 55 -10.189 11.063 10.249 1.00 1.00 H new ATOM 0 HA SER A 55 -11.060 13.611 9.385 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.708 13.107 10.025 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.570 11.955 8.711 1.00 1.00 H new ATOM 0 HG SER A 55 -7.712 14.044 8.142 1.00 1.00 H new ATOM 796 N ARG A 56 -11.556 13.552 6.930 1.00 1.00 N ATOM 797 CA ARG A 56 -11.945 13.540 5.509 1.00 1.00 C ATOM 798 C ARG A 56 -10.735 13.294 4.598 1.00 1.00 C ATOM 799 O ARG A 56 -10.885 12.661 3.556 1.00 1.00 O ATOM 800 CB ARG A 56 -12.691 14.842 5.169 1.00 1.00 C ATOM 801 CG ARG A 56 -13.286 14.882 3.751 1.00 1.00 C ATOM 802 CD ARG A 56 -14.325 13.782 3.486 1.00 1.00 C ATOM 803 NE ARG A 56 -14.956 13.952 2.163 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.816 13.133 1.583 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.211 12.026 2.146 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.302 13.414 0.407 1.00 1.00 N ATOM 0 H ARG A 56 -11.717 14.449 7.389 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.626 12.708 5.329 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.495 14.985 5.891 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.005 15.681 5.286 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.750 15.855 3.589 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -12.478 14.789 3.025 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.846 12.805 3.540 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -15.090 13.806 4.262 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.701 14.790 1.641 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.855 11.766 3.066 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -16.876 11.419 1.667 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -16.019 14.270 -0.071 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -16.965 12.778 -0.036 1.00 1.00 H new ATOM 820 N LYS A 57 -9.532 13.727 5.007 1.00 1.00 N ATOM 821 CA LYS A 57 -8.279 13.498 4.261 1.00 1.00 C ATOM 822 C LYS A 57 -7.955 12.003 4.207 1.00 1.00 C ATOM 823 O LYS A 57 -7.669 11.488 3.128 1.00 1.00 O ATOM 824 CB LYS A 57 -7.105 14.285 4.877 1.00 1.00 C ATOM 825 CG LYS A 57 -7.078 15.787 4.543 1.00 1.00 C ATOM 826 CD LYS A 57 -8.219 16.612 5.158 1.00 1.00 C ATOM 827 CE LYS A 57 -7.962 18.107 4.921 1.00 1.00 C ATOM 828 NZ LYS A 57 -9.028 18.952 5.520 1.00 1.00 N ATOM 0 H LYS A 57 -9.398 14.251 5.872 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.424 13.862 3.244 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.140 14.170 5.960 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.171 13.837 4.539 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -6.128 16.201 4.881 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -7.110 15.903 3.460 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -9.171 16.322 4.714 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -8.291 16.410 6.227 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -6.997 18.382 5.348 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -7.904 18.300 3.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -8.819 19.955 5.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -9.945 18.707 5.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -9.067 18.786 6.546 1.00 1.00 H new ATOM 842 N HIS A 58 -8.075 11.294 5.335 1.00 1.00 N ATOM 843 CA HIS A 58 -7.888 9.834 5.403 1.00 1.00 C ATOM 844 C HIS A 58 -8.907 9.123 4.508 1.00 1.00 C ATOM 845 O HIS A 58 -8.518 8.307 3.676 1.00 1.00 O ATOM 846 CB HIS A 58 -8.006 9.354 6.860 1.00 1.00 C ATOM 847 CG HIS A 58 -8.175 7.859 7.011 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.146 6.922 7.135 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.371 7.198 7.009 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.745 5.723 7.198 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.081 5.858 7.127 1.00 1.00 N ATOM 0 H HIS A 58 -8.306 11.717 6.234 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.890 9.588 5.040 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.115 9.664 7.406 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.855 9.853 7.327 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.353 7.641 6.930 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.226 4.780 7.293 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.762 5.099 7.156 1.00 1.00 H new ATOM 859 N ALA A 59 -10.195 9.468 4.621 1.00 1.00 N ATOM 860 CA ALA A 59 -11.246 8.880 3.788 1.00 1.00 C ATOM 861 C ALA A 59 -10.984 9.092 2.285 1.00 1.00 C ATOM 862 O ALA A 59 -11.132 8.161 1.494 1.00 1.00 O ATOM 863 CB ALA A 59 -12.600 9.445 4.227 1.00 1.00 C ATOM 0 H ALA A 59 -10.535 10.159 5.289 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.250 7.799 3.931 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.391 9.014 3.613 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.776 9.196 5.273 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.598 10.528 4.108 1.00 1.00 H new ATOM 869 N ASN A 60 -10.543 10.291 1.882 1.00 1.00 N ATOM 870 CA ASN A 60 -10.194 10.598 0.494 1.00 1.00 C ATOM 871 C ASN A 60 -8.994 9.759 0.010 1.00 1.00 C ATOM 872 O ASN A 60 -9.054 9.164 -1.066 1.00 1.00 O ATOM 873 CB ASN A 60 -9.944 12.111 0.376 1.00 1.00 C ATOM 874 CG ASN A 60 -9.795 12.553 -1.069 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.758 12.591 -1.823 1.00 1.00 O ATOM 876 ND2 ASN A 60 -8.604 12.892 -1.506 1.00 1.00 N ATOM 0 H ASN A 60 -10.418 11.079 2.517 1.00 1.00 H new ATOM 0 HA ASN A 60 -11.021 10.327 -0.163 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.771 12.652 0.837 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -9.043 12.374 0.930 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -8.481 13.187 -2.475 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -7.802 12.860 -0.877 1.00 1.00 H new ATOM 883 N LYS A 61 -7.926 9.662 0.818 1.00 1.00 N ATOM 884 CA LYS A 61 -6.730 8.852 0.517 1.00 1.00 C ATOM 885 C LYS A 61 -7.096 7.368 0.377 1.00 1.00 C ATOM 886 O LYS A 61 -6.676 6.720 -0.581 1.00 1.00 O ATOM 887 CB LYS A 61 -5.658 9.115 1.599 1.00 1.00 C ATOM 888 CG LYS A 61 -4.218 9.157 1.066 1.00 1.00 C ATOM 889 CD LYS A 61 -3.640 7.786 0.705 1.00 1.00 C ATOM 890 CE LYS A 61 -2.169 7.946 0.306 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.514 6.629 0.100 1.00 1.00 N ATOM 0 H LYS A 61 -7.866 10.150 1.712 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.309 9.145 -0.445 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.879 10.063 2.090 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.729 8.338 2.360 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.188 9.795 0.183 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.579 9.622 1.816 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.727 7.107 1.553 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.205 7.345 -0.116 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.101 8.534 -0.609 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.639 8.500 1.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.515 6.774 -0.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.573 6.071 0.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.995 6.119 -0.668 1.00 1.00 H new ATOM 905 N VAL A 62 -7.934 6.843 1.277 1.00 1.00 N ATOM 906 CA VAL A 62 -8.455 5.466 1.218 1.00 1.00 C ATOM 907 C VAL A 62 -9.295 5.251 -0.045 1.00 1.00 C ATOM 908 O VAL A 62 -9.115 4.235 -0.715 1.00 1.00 O ATOM 909 CB VAL A 62 -9.246 5.119 2.495 1.00 1.00 C ATOM 910 CG1 VAL A 62 -9.999 3.783 2.402 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.292 5.009 3.689 1.00 1.00 C ATOM 0 H VAL A 62 -8.277 7.368 2.081 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.607 4.784 1.165 1.00 1.00 H new ATOM 0 HB VAL A 62 -9.971 5.923 2.618 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.534 3.601 3.334 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.711 3.823 1.577 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.288 2.976 2.228 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -8.859 4.764 4.587 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.559 4.226 3.498 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.778 5.959 3.833 1.00 1.00 H new ATOM 1397 N SER A 94 -18.238 3.786 -25.876 1.00 1.00 N ATOM 1398 CA SER A 94 -18.802 3.405 -27.186 1.00 1.00 C ATOM 1399 C SER A 94 -19.245 1.930 -27.335 1.00 1.00 C ATOM 1400 O SER A 94 -19.352 1.421 -28.450 1.00 1.00 O ATOM 1401 CB SER A 94 -17.806 3.785 -28.290 1.00 1.00 C ATOM 1402 OG SER A 94 -17.399 5.140 -28.153 1.00 1.00 O ATOM 0 HA SER A 94 -19.733 3.965 -27.276 1.00 1.00 H new ATOM 0 HB2 SER A 94 -16.935 3.132 -28.242 1.00 1.00 H new ATOM 0 HB3 SER A 94 -18.264 3.634 -29.268 1.00 1.00 H new ATOM 0 HG SER A 94 -17.405 5.389 -27.205 1.00 1.00 H new ATOM 1408 N LYS A 95 -19.511 1.225 -26.232 1.00 1.00 N ATOM 1409 CA LYS A 95 -19.989 -0.172 -26.173 1.00 1.00 C ATOM 1410 C LYS A 95 -21.272 -0.320 -25.344 1.00 1.00 C ATOM 1411 O LYS A 95 -21.908 -1.373 -25.389 1.00 1.00 O ATOM 1412 CB LYS A 95 -18.883 -1.069 -25.594 1.00 1.00 C ATOM 1413 CG LYS A 95 -17.693 -1.327 -26.537 1.00 1.00 C ATOM 1414 CD LYS A 95 -18.008 -2.358 -27.634 1.00 1.00 C ATOM 1415 CE LYS A 95 -16.739 -2.664 -28.443 1.00 1.00 C ATOM 1416 NZ LYS A 95 -16.869 -3.908 -29.249 1.00 1.00 N ATOM 0 H LYS A 95 -19.395 1.629 -25.303 1.00 1.00 H new ATOM 0 HA LYS A 95 -20.229 -0.480 -27.191 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -18.509 -0.613 -24.678 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -19.322 -2.028 -25.317 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -17.396 -0.388 -27.003 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -16.842 -1.676 -25.952 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -18.393 -3.274 -27.185 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -18.787 -1.974 -28.293 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -16.522 -1.826 -29.105 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -15.892 -2.761 -27.764 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -16.001 -4.055 -29.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -17.016 -4.719 -28.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -17.681 -3.821 -29.893 1.00 1.00 H new ATOM 1430 N CYS A 96 -21.677 0.719 -24.613 1.00 1.00 N ATOM 1431 CA CYS A 96 -22.873 0.737 -23.768 1.00 1.00 C ATOM 1432 C CYS A 96 -23.704 2.028 -23.903 1.00 1.00 C ATOM 1433 O CYS A 96 -23.262 3.045 -24.441 1.00 1.00 O ATOM 1434 CB CYS A 96 -22.460 0.457 -22.313 1.00 1.00 C ATOM 1435 SG CYS A 96 -21.411 1.790 -21.654 1.00 1.00 S ATOM 0 H CYS A 96 -21.165 1.601 -24.592 1.00 1.00 H new ATOM 0 HA CYS A 96 -23.542 -0.051 -24.113 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -23.351 0.353 -21.694 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -21.923 -0.490 -22.261 1.00 1.00 H new ATOM 0 HG CYS A 96 -21.086 1.519 -20.425 1.00 1.00 H new ATOM 1441 N CYS A 97 -24.943 1.964 -23.418 1.00 1.00 N ATOM 1442 CA CYS A 97 -25.918 3.048 -23.427 1.00 1.00 C ATOM 1443 C CYS A 97 -26.809 2.908 -22.176 1.00 1.00 C ATOM 1444 O CYS A 97 -27.828 2.213 -22.227 1.00 1.00 O ATOM 1445 CB CYS A 97 -26.715 2.949 -24.734 1.00 1.00 C ATOM 1446 SG CYS A 97 -27.857 4.314 -25.024 1.00 1.00 S ATOM 0 H CYS A 97 -25.309 1.114 -22.989 1.00 1.00 H new ATOM 0 HA CYS A 97 -25.449 4.031 -23.389 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -26.015 2.895 -25.568 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -27.279 2.016 -24.730 1.00 1.00 H new ATOM 0 HG CYS A 97 -27.261 5.239 -25.717 1.00 1.00 H new ATOM 1451 N PRO A 98 -26.437 3.514 -21.030 1.00 1.00 N ATOM 1452 CA PRO A 98 -27.163 3.343 -19.766 1.00 1.00 C ATOM 1453 C PRO A 98 -28.549 3.999 -19.724 1.00 1.00 C ATOM 1454 O PRO A 98 -29.436 3.475 -19.049 1.00 1.00 O ATOM 1455 CB PRO A 98 -26.229 3.904 -18.687 1.00 1.00 C ATOM 1456 CG PRO A 98 -25.389 4.940 -19.432 1.00 1.00 C ATOM 1457 CD PRO A 98 -25.250 4.336 -20.829 1.00 1.00 C ATOM 0 HA PRO A 98 -27.395 2.289 -19.615 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -26.790 4.357 -17.869 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -25.606 3.122 -18.252 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -25.881 5.912 -19.461 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -24.418 5.088 -18.958 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -25.183 5.117 -21.587 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -24.343 3.737 -20.907 1.00 1.00 H new ATOM 1465 N VAL A 99 -28.772 5.106 -20.451 1.00 1.00 N ATOM 1466 CA VAL A 99 -30.079 5.801 -20.493 1.00 1.00 C ATOM 1467 C VAL A 99 -31.145 4.898 -21.128 1.00 1.00 C ATOM 1468 O VAL A 99 -32.228 4.717 -20.571 1.00 1.00 O ATOM 1469 CB VAL A 99 -30.004 7.152 -21.240 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -31.267 7.982 -20.981 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -28.803 8.003 -20.801 1.00 1.00 C ATOM 0 H VAL A 99 -28.055 5.548 -21.027 1.00 1.00 H new ATOM 0 HA VAL A 99 -30.359 6.019 -19.462 1.00 1.00 H new ATOM 0 HB VAL A 99 -29.902 6.903 -22.296 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -31.196 8.929 -21.515 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -32.141 7.433 -21.331 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -31.363 8.174 -19.912 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -28.799 8.940 -21.357 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -28.877 8.214 -19.734 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -27.880 7.459 -21.000 1.00 1.00 H new ATOM 1481 N CYS A 100 -30.819 4.275 -22.262 1.00 1.00 N ATOM 1482 CA CYS A 100 -31.677 3.305 -22.958 1.00 1.00 C ATOM 1483 C CYS A 100 -31.548 1.871 -22.389 1.00 1.00 C ATOM 1484 O CYS A 100 -32.312 0.970 -22.739 1.00 1.00 O ATOM 1485 CB CYS A 100 -31.293 3.336 -24.434 1.00 1.00 C ATOM 1486 SG CYS A 100 -31.519 4.960 -25.220 1.00 1.00 S ATOM 0 H CYS A 100 -29.930 4.433 -22.736 1.00 1.00 H new ATOM 0 HA CYS A 100 -32.721 3.585 -22.814 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -30.250 3.037 -24.534 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -31.889 2.598 -24.970 1.00 1.00 H new ATOM 0 HG CYS A 100 -30.857 4.997 -26.338 1.00 1.00 H new ATOM 1491 N ASN A 101 -30.568 1.687 -21.503 1.00 1.00 N ATOM 1492 CA ASN A 101 -30.173 0.480 -20.774 1.00 1.00 C ATOM 1493 C ASN A 101 -29.876 -0.736 -21.680 1.00 1.00 C ATOM 1494 O ASN A 101 -30.513 -1.787 -21.587 1.00 1.00 O ATOM 1495 CB ASN A 101 -31.164 0.242 -19.616 1.00 1.00 C ATOM 1496 CG ASN A 101 -30.535 -0.556 -18.489 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -30.736 -1.753 -18.336 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -29.750 0.091 -17.655 1.00 1.00 N ATOM 0 H ASN A 101 -29.964 2.469 -21.250 1.00 1.00 H new ATOM 0 HA ASN A 101 -29.195 0.639 -20.321 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -31.511 1.201 -19.232 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -32.040 -0.287 -19.991 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -29.309 -0.405 -16.881 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -29.582 1.089 -17.783 1.00 1.00 H new ATOM 1505 N MET A 102 -28.895 -0.568 -22.576 1.00 1.00 N ATOM 1506 CA MET A 102 -28.455 -1.581 -23.552 1.00 1.00 C ATOM 1507 C MET A 102 -26.960 -1.463 -23.926 1.00 1.00 C ATOM 1508 O MET A 102 -26.251 -0.579 -23.439 1.00 1.00 O ATOM 1509 CB MET A 102 -29.360 -1.505 -24.797 1.00 1.00 C ATOM 1510 CG MET A 102 -29.235 -0.182 -25.560 1.00 1.00 C ATOM 1511 SD MET A 102 -30.274 -0.118 -27.040 1.00 1.00 S ATOM 1512 CE MET A 102 -29.798 1.519 -27.643 1.00 1.00 C ATOM 0 H MET A 102 -28.368 0.302 -22.646 1.00 1.00 H new ATOM 0 HA MET A 102 -28.553 -2.561 -23.085 1.00 1.00 H new ATOM 0 HB2 MET A 102 -29.112 -2.328 -25.468 1.00 1.00 H new ATOM 0 HB3 MET A 102 -30.397 -1.644 -24.492 1.00 1.00 H new ATOM 0 HG2 MET A 102 -29.505 0.640 -24.897 1.00 1.00 H new ATOM 0 HG3 MET A 102 -28.194 -0.031 -25.847 1.00 1.00 H new ATOM 0 HE1 MET A 102 -30.011 1.590 -28.710 1.00 1.00 H new ATOM 0 HE2 MET A 102 -30.364 2.282 -27.108 1.00 1.00 H new ATOM 0 HE3 MET A 102 -28.732 1.673 -27.475 1.00 1.00 H new ATOM 1522 N THR A 103 -26.478 -2.355 -24.798 1.00 1.00 N ATOM 1523 CA THR A 103 -25.084 -2.426 -25.289 1.00 1.00 C ATOM 1524 C THR A 103 -24.994 -2.560 -26.816 1.00 1.00 C ATOM 1525 O THR A 103 -25.993 -2.833 -27.488 1.00 1.00 O ATOM 1526 CB THR A 103 -24.313 -3.578 -24.613 1.00 1.00 C ATOM 1527 OG1 THR A 103 -24.999 -4.803 -24.783 1.00 1.00 O ATOM 1528 CG2 THR A 103 -24.123 -3.349 -23.113 1.00 1.00 C ATOM 0 H THR A 103 -27.069 -3.082 -25.203 1.00 1.00 H new ATOM 0 HA THR A 103 -24.621 -1.477 -25.018 1.00 1.00 H new ATOM 0 HB THR A 103 -23.335 -3.613 -25.093 1.00 1.00 H new ATOM 0 HG1 THR A 103 -24.495 -5.523 -24.350 1.00 1.00 H new ATOM 0 HG21 THR A 103 -23.575 -4.188 -22.683 1.00 1.00 H new ATOM 0 HG22 THR A 103 -23.561 -2.429 -22.954 1.00 1.00 H new ATOM 0 HG23 THR A 103 -25.097 -3.267 -22.631 1.00 1.00 H new ATOM 1536 N PHE A 104 -23.789 -2.373 -27.369 1.00 1.00 N ATOM 1537 CA PHE A 104 -23.493 -2.453 -28.808 1.00 1.00 C ATOM 1538 C PHE A 104 -22.267 -3.334 -29.096 1.00 1.00 C ATOM 1539 O PHE A 104 -21.305 -3.357 -28.324 1.00 1.00 O ATOM 1540 CB PHE A 104 -23.230 -1.052 -29.389 1.00 1.00 C ATOM 1541 CG PHE A 104 -24.185 0.046 -28.964 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -25.459 0.148 -29.552 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -23.776 0.995 -28.009 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -26.311 1.210 -29.203 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -24.623 2.061 -27.668 1.00 1.00 C ATOM 1546 CZ PHE A 104 -25.892 2.167 -28.263 1.00 1.00 C ATOM 0 H PHE A 104 -22.965 -2.154 -26.810 1.00 1.00 H new ATOM 0 HA PHE A 104 -24.369 -2.899 -29.279 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -22.220 -0.752 -29.112 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -23.254 -1.123 -30.476 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -25.782 -0.590 -30.272 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -22.809 0.903 -27.538 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -27.288 1.291 -29.657 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -24.300 2.799 -26.949 1.00 1.00 H new ATOM 0 HZ PHE A 104 -26.546 2.985 -27.998 1.00 1.00 H new ATOM 1556 N SER A 105 -22.277 -4.026 -30.239 1.00 1.00 N ATOM 1557 CA SER A 105 -21.164 -4.869 -30.703 1.00 1.00 C ATOM 1558 C SER A 105 -20.001 -4.064 -31.307 1.00 1.00 C ATOM 1559 O SER A 105 -18.853 -4.513 -31.263 1.00 1.00 O ATOM 1560 CB SER A 105 -21.683 -5.868 -31.744 1.00 1.00 C ATOM 1561 OG SER A 105 -22.342 -5.187 -32.804 1.00 1.00 O ATOM 0 H SER A 105 -23.070 -4.018 -30.880 1.00 1.00 H new ATOM 0 HA SER A 105 -20.771 -5.385 -29.827 1.00 1.00 H new ATOM 0 HB2 SER A 105 -20.853 -6.453 -32.140 1.00 1.00 H new ATOM 0 HB3 SER A 105 -22.371 -6.570 -31.272 1.00 1.00 H new ATOM 0 HG SER A 105 -22.666 -5.839 -33.460 1.00 1.00 H new ATOM 1567 N SER A 106 -20.269 -2.870 -31.847 1.00 1.00 N ATOM 1568 CA SER A 106 -19.292 -1.990 -32.508 1.00 1.00 C ATOM 1569 C SER A 106 -19.499 -0.512 -32.139 1.00 1.00 C ATOM 1570 O SER A 106 -20.647 -0.078 -31.982 1.00 1.00 O ATOM 1571 CB SER A 106 -19.434 -2.181 -34.027 1.00 1.00 C ATOM 1572 OG SER A 106 -18.782 -1.157 -34.762 1.00 1.00 O ATOM 0 H SER A 106 -21.208 -2.472 -31.836 1.00 1.00 H new ATOM 0 HA SER A 106 -18.291 -2.259 -32.172 1.00 1.00 H new ATOM 0 HB2 SER A 106 -19.019 -3.148 -34.310 1.00 1.00 H new ATOM 0 HB3 SER A 106 -20.491 -2.198 -34.292 1.00 1.00 H new ATOM 0 HG SER A 106 -18.897 -1.319 -35.722 1.00 1.00 H new ATOM 1578 N PRO A 107 -18.417 0.292 -32.032 1.00 1.00 N ATOM 1579 CA PRO A 107 -18.512 1.717 -31.723 1.00 1.00 C ATOM 1580 C PRO A 107 -19.237 2.521 -32.807 1.00 1.00 C ATOM 1581 O PRO A 107 -19.833 3.550 -32.497 1.00 1.00 O ATOM 1582 CB PRO A 107 -17.070 2.192 -31.514 1.00 1.00 C ATOM 1583 CG PRO A 107 -16.247 1.223 -32.357 1.00 1.00 C ATOM 1584 CD PRO A 107 -17.019 -0.087 -32.209 1.00 1.00 C ATOM 0 HA PRO A 107 -19.119 1.877 -30.832 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -16.936 3.223 -31.842 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -16.783 2.152 -30.463 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -16.186 1.542 -33.397 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -15.224 1.134 -31.990 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -16.893 -0.716 -33.090 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -16.658 -0.659 -31.354 1.00 1.00 H new ATOM 1592 N VAL A 108 -19.254 2.058 -34.064 1.00 1.00 N ATOM 1593 CA VAL A 108 -19.980 2.739 -35.153 1.00 1.00 C ATOM 1594 C VAL A 108 -21.491 2.739 -34.873 1.00 1.00 C ATOM 1595 O VAL A 108 -22.164 3.749 -35.084 1.00 1.00 O ATOM 1596 CB VAL A 108 -19.673 2.107 -36.525 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -20.288 2.936 -37.659 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -18.161 2.025 -36.787 1.00 1.00 C ATOM 0 H VAL A 108 -18.771 1.209 -34.357 1.00 1.00 H new ATOM 0 HA VAL A 108 -19.634 3.772 -35.189 1.00 1.00 H new ATOM 0 HB VAL A 108 -20.101 1.105 -36.503 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -20.058 2.470 -38.617 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -21.369 2.984 -37.530 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -19.875 3.944 -37.638 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -17.985 1.574 -37.764 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -17.734 3.027 -36.768 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -17.691 1.415 -36.016 1.00 1.00 H new ATOM 1608 N VAL A 109 -22.018 1.633 -34.331 1.00 1.00 N ATOM 1609 CA VAL A 109 -23.432 1.505 -33.934 1.00 1.00 C ATOM 1610 C VAL A 109 -23.739 2.462 -32.777 1.00 1.00 C ATOM 1611 O VAL A 109 -24.752 3.159 -32.808 1.00 1.00 O ATOM 1612 CB VAL A 109 -23.783 0.057 -33.531 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -25.286 -0.103 -33.266 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -23.410 -0.948 -34.630 1.00 1.00 C ATOM 0 H VAL A 109 -21.471 0.791 -34.153 1.00 1.00 H new ATOM 0 HA VAL A 109 -24.045 1.767 -34.796 1.00 1.00 H new ATOM 0 HB VAL A 109 -23.210 -0.145 -32.626 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -25.498 -1.134 -32.985 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -25.586 0.563 -32.457 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -25.843 0.149 -34.168 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -23.673 -1.955 -34.307 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -23.953 -0.706 -35.544 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -22.338 -0.897 -34.821 1.00 1.00 H new ATOM 1624 N ALA A 110 -22.845 2.535 -31.784 1.00 1.00 N ATOM 1625 CA ALA A 110 -22.977 3.432 -30.639 1.00 1.00 C ATOM 1626 C ALA A 110 -23.029 4.910 -31.072 1.00 1.00 C ATOM 1627 O ALA A 110 -23.975 5.622 -30.735 1.00 1.00 O ATOM 1628 CB ALA A 110 -21.814 3.163 -29.678 1.00 1.00 C ATOM 0 H ALA A 110 -22.000 1.964 -31.756 1.00 1.00 H new ATOM 0 HA ALA A 110 -23.922 3.236 -30.132 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -21.895 3.824 -28.815 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -21.850 2.126 -29.345 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -20.869 3.348 -30.189 1.00 1.00 H new ATOM 1634 N GLU A 111 -22.052 5.357 -31.872 1.00 1.00 N ATOM 1635 CA GLU A 111 -21.987 6.730 -32.393 1.00 1.00 C ATOM 1636 C GLU A 111 -23.234 7.088 -33.218 1.00 1.00 C ATOM 1637 O GLU A 111 -23.791 8.175 -33.050 1.00 1.00 O ATOM 1638 CB GLU A 111 -20.728 6.910 -33.260 1.00 1.00 C ATOM 1639 CG GLU A 111 -19.410 6.885 -32.474 1.00 1.00 C ATOM 1640 CD GLU A 111 -19.265 8.109 -31.552 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -18.837 9.189 -32.026 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -19.569 7.996 -30.341 1.00 1.00 O ATOM 0 H GLU A 111 -21.276 4.770 -32.179 1.00 1.00 H new ATOM 0 HA GLU A 111 -21.944 7.402 -31.536 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -20.704 6.122 -34.012 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -20.801 7.858 -33.794 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -19.361 5.974 -31.878 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -18.573 6.855 -33.171 1.00 1.00 H new ATOM 1649 N SER A 112 -23.699 6.169 -34.074 1.00 1.00 N ATOM 1650 CA SER A 112 -24.911 6.346 -34.884 1.00 1.00 C ATOM 1651 C SER A 112 -26.171 6.466 -34.010 1.00 1.00 C ATOM 1652 O SER A 112 -27.039 7.303 -34.271 1.00 1.00 O ATOM 1653 CB SER A 112 -25.043 5.171 -35.860 1.00 1.00 C ATOM 1654 OG SER A 112 -26.122 5.376 -36.757 1.00 1.00 O ATOM 0 H SER A 112 -23.239 5.271 -34.225 1.00 1.00 H new ATOM 0 HA SER A 112 -24.819 7.278 -35.441 1.00 1.00 H new ATOM 0 HB2 SER A 112 -24.116 5.053 -36.421 1.00 1.00 H new ATOM 0 HB3 SER A 112 -25.198 4.247 -35.304 1.00 1.00 H new ATOM 0 HG SER A 112 -26.186 4.615 -37.371 1.00 1.00 H new ATOM 1660 N HIS A 113 -26.271 5.666 -32.941 1.00 1.00 N ATOM 1661 CA HIS A 113 -27.398 5.700 -32.011 1.00 1.00 C ATOM 1662 C HIS A 113 -27.470 7.009 -31.203 1.00 1.00 C ATOM 1663 O HIS A 113 -28.541 7.615 -31.129 1.00 1.00 O ATOM 1664 CB HIS A 113 -27.326 4.486 -31.074 1.00 1.00 C ATOM 1665 CG HIS A 113 -28.432 4.489 -30.052 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -29.754 4.179 -30.280 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -28.329 4.898 -28.749 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -30.432 4.394 -29.140 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -29.600 4.818 -28.173 1.00 1.00 N ATOM 0 H HIS A 113 -25.564 4.972 -32.698 1.00 1.00 H new ATOM 0 HA HIS A 113 -28.313 5.657 -32.602 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -27.381 3.571 -31.663 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -26.363 4.480 -30.564 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -30.149 3.845 -31.159 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -27.426 5.224 -28.254 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -31.495 4.247 -29.018 1.00 1.00 H new ATOM 1677 N TYR A 114 -26.357 7.463 -30.608 1.00 1.00 N ATOM 1678 CA TYR A 114 -26.319 8.674 -29.770 1.00 1.00 C ATOM 1679 C TYR A 114 -26.853 9.948 -30.455 1.00 1.00 C ATOM 1680 O TYR A 114 -27.408 10.816 -29.778 1.00 1.00 O ATOM 1681 CB TYR A 114 -24.891 8.940 -29.263 1.00 1.00 C ATOM 1682 CG TYR A 114 -24.197 7.839 -28.473 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -24.894 7.042 -27.538 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -22.812 7.645 -28.654 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -24.214 6.043 -26.809 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -22.132 6.646 -27.936 1.00 1.00 C ATOM 1687 CZ TYR A 114 -22.829 5.842 -27.011 1.00 1.00 C ATOM 1688 OH TYR A 114 -22.145 4.891 -26.322 1.00 1.00 O ATOM 0 H TYR A 114 -25.453 6.999 -30.694 1.00 1.00 H new ATOM 0 HA TYR A 114 -26.993 8.459 -28.941 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -24.268 9.175 -30.126 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -24.919 9.833 -28.638 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -25.951 7.198 -27.380 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -22.270 8.269 -29.349 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -24.751 5.433 -26.098 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -21.074 6.494 -28.093 1.00 1.00 H new ATOM 0 HH TYR A 114 -22.766 4.386 -25.757 1.00 1.00 H new ATOM 1698 N ILE A 115 -26.704 10.070 -31.782 1.00 1.00 N ATOM 1699 CA ILE A 115 -27.169 11.234 -32.565 1.00 1.00 C ATOM 1700 C ILE A 115 -28.598 11.083 -33.121 1.00 1.00 C ATOM 1701 O ILE A 115 -29.113 12.014 -33.744 1.00 1.00 O ATOM 1702 CB ILE A 115 -26.140 11.629 -33.657 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -25.829 10.563 -34.734 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -24.818 12.036 -32.980 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -26.941 10.326 -35.763 1.00 1.00 C ATOM 0 H ILE A 115 -26.252 9.356 -32.353 1.00 1.00 H new ATOM 0 HA ILE A 115 -27.235 12.064 -31.862 1.00 1.00 H new ATOM 0 HB ILE A 115 -26.617 12.447 -34.196 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -24.924 10.859 -35.264 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -25.612 9.619 -34.235 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -24.090 12.315 -33.742 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -24.994 12.884 -32.318 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -24.433 11.197 -32.400 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -26.624 9.562 -36.472 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -27.845 9.994 -35.252 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -27.146 11.254 -36.297 1.00 1.00 H new ATOM 1717 N GLY A 116 -29.256 9.939 -32.895 1.00 1.00 N ATOM 1718 CA GLY A 116 -30.619 9.662 -33.362 1.00 1.00 C ATOM 1719 C GLY A 116 -31.698 10.027 -32.335 1.00 1.00 C ATOM 1720 O GLY A 116 -31.461 10.025 -31.123 1.00 1.00 O ATOM 0 H GLY A 116 -28.847 9.165 -32.372 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -30.800 10.217 -34.282 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -30.704 8.603 -33.607 1.00 1.00 H new ATOM 1724 N LYS A 117 -32.913 10.328 -32.812 1.00 1.00 N ATOM 1725 CA LYS A 117 -34.049 10.713 -31.950 1.00 1.00 C ATOM 1726 C LYS A 117 -34.476 9.628 -30.954 1.00 1.00 C ATOM 1727 O LYS A 117 -34.991 9.967 -29.891 1.00 1.00 O ATOM 1728 CB LYS A 117 -35.239 11.214 -32.785 1.00 1.00 C ATOM 1729 CG LYS A 117 -34.910 12.556 -33.464 1.00 1.00 C ATOM 1730 CD LYS A 117 -36.146 13.252 -34.051 1.00 1.00 C ATOM 1731 CE LYS A 117 -36.782 12.443 -35.191 1.00 1.00 C ATOM 1732 NZ LYS A 117 -37.941 13.157 -35.787 1.00 1.00 N ATOM 0 H LYS A 117 -33.141 10.313 -33.806 1.00 1.00 H new ATOM 0 HA LYS A 117 -33.685 11.538 -31.337 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -35.495 10.472 -33.542 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -36.114 11.331 -32.145 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -34.438 13.218 -32.738 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -34.184 12.386 -34.259 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -36.883 13.406 -33.262 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -35.864 14.238 -34.421 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -36.036 12.251 -35.962 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -37.106 11.473 -34.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -38.346 12.582 -36.553 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -38.663 13.318 -35.056 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -37.626 14.071 -36.169 1.00 1.00 H new ATOM 1746 N THR A 118 -34.226 8.348 -31.238 1.00 1.00 N ATOM 1747 CA THR A 118 -34.519 7.228 -30.318 1.00 1.00 C ATOM 1748 C THR A 118 -33.771 7.394 -28.988 1.00 1.00 C ATOM 1749 O THR A 118 -34.338 7.176 -27.915 1.00 1.00 O ATOM 1750 CB THR A 118 -34.149 5.879 -30.960 1.00 1.00 C ATOM 1751 OG1 THR A 118 -34.708 5.800 -32.256 1.00 1.00 O ATOM 1752 CG2 THR A 118 -34.676 4.684 -30.163 1.00 1.00 C ATOM 0 H THR A 118 -33.810 8.049 -32.120 1.00 1.00 H new ATOM 0 HA THR A 118 -35.590 7.241 -30.118 1.00 1.00 H new ATOM 0 HB THR A 118 -33.060 5.835 -30.984 1.00 1.00 H new ATOM 0 HG1 THR A 118 -34.470 4.941 -32.663 1.00 1.00 H new ATOM 0 HG21 THR A 118 -34.386 3.759 -30.661 1.00 1.00 H new ATOM 0 HG22 THR A 118 -34.255 4.703 -29.158 1.00 1.00 H new ATOM 0 HG23 THR A 118 -35.763 4.738 -30.102 1.00 1.00 H new ATOM 1760 N HIS A 119 -32.512 7.848 -29.043 1.00 1.00 N ATOM 1761 CA HIS A 119 -31.708 8.142 -27.853 1.00 1.00 C ATOM 1762 C HIS A 119 -32.254 9.374 -27.124 1.00 1.00 C ATOM 1763 O HIS A 119 -32.466 9.342 -25.914 1.00 1.00 O ATOM 1764 CB HIS A 119 -30.249 8.356 -28.277 1.00 1.00 C ATOM 1765 CG HIS A 119 -29.311 8.480 -27.106 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -28.976 7.442 -26.234 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -28.631 9.604 -26.740 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -28.099 7.964 -25.362 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -27.871 9.259 -25.644 1.00 1.00 N ATOM 0 H HIS A 119 -32.021 8.022 -29.920 1.00 1.00 H new ATOM 0 HA HIS A 119 -31.760 7.302 -27.161 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -29.932 7.522 -28.903 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -30.182 9.257 -28.887 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -28.679 10.573 -27.215 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -27.641 7.421 -24.549 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -27.243 9.880 -25.134 1.00 1.00 H new ATOM 1777 N ILE A 120 -32.546 10.447 -27.866 1.00 1.00 N ATOM 1778 CA ILE A 120 -33.096 11.713 -27.343 1.00 1.00 C ATOM 1779 C ILE A 120 -34.450 11.514 -26.643 1.00 1.00 C ATOM 1780 O ILE A 120 -34.689 12.116 -25.595 1.00 1.00 O ATOM 1781 CB ILE A 120 -33.113 12.778 -28.464 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -31.645 13.072 -28.865 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -33.849 14.066 -28.047 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -31.480 14.070 -30.019 1.00 1.00 C ATOM 0 H ILE A 120 -32.404 10.465 -28.876 1.00 1.00 H new ATOM 0 HA ILE A 120 -32.442 12.089 -26.557 1.00 1.00 H new ATOM 0 HB ILE A 120 -33.669 12.388 -29.317 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -31.115 13.456 -27.993 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -31.164 12.134 -29.143 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -33.830 14.779 -28.871 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -34.883 13.829 -27.795 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -33.355 14.502 -27.179 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -30.420 14.212 -30.228 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -31.977 13.683 -30.909 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -31.926 15.025 -29.741 1.00 1.00 H new ATOM 1796 N LYS A 121 -35.313 10.623 -27.149 1.00 1.00 N ATOM 1797 CA LYS A 121 -36.585 10.260 -26.499 1.00 1.00 C ATOM 1798 C LYS A 121 -36.334 9.690 -25.095 1.00 1.00 C ATOM 1799 O LYS A 121 -37.034 10.043 -24.148 1.00 1.00 O ATOM 1800 CB LYS A 121 -37.351 9.276 -27.402 1.00 1.00 C ATOM 1801 CG LYS A 121 -38.754 8.961 -26.855 1.00 1.00 C ATOM 1802 CD LYS A 121 -39.591 8.095 -27.809 1.00 1.00 C ATOM 1803 CE LYS A 121 -39.004 6.687 -27.989 1.00 1.00 C ATOM 1804 NZ LYS A 121 -39.871 5.842 -28.851 1.00 1.00 N ATOM 0 H LYS A 121 -35.150 10.129 -28.026 1.00 1.00 H new ATOM 0 HA LYS A 121 -37.201 11.150 -26.367 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -37.439 9.697 -28.404 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -36.782 8.351 -27.494 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -38.658 8.448 -25.898 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -39.282 9.896 -26.664 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -40.608 8.015 -27.425 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -39.654 8.586 -28.780 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -38.010 6.760 -28.431 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -38.886 6.213 -27.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -39.446 4.898 -28.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -40.812 5.753 -28.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -39.963 6.282 -29.789 1.00 1.00 H new ATOM 1818 N ASN A 122 -35.295 8.866 -24.944 1.00 1.00 N ATOM 1819 CA ASN A 122 -34.876 8.316 -23.652 1.00 1.00 C ATOM 1820 C ASN A 122 -34.234 9.397 -22.755 1.00 1.00 C ATOM 1821 O ASN A 122 -34.497 9.401 -21.551 1.00 1.00 O ATOM 1822 CB ASN A 122 -33.975 7.092 -23.882 1.00 1.00 C ATOM 1823 CG ASN A 122 -34.775 5.866 -24.291 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -35.232 5.099 -23.457 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -34.992 5.636 -25.566 1.00 1.00 N ATOM 0 H ASN A 122 -34.714 8.558 -25.724 1.00 1.00 H new ATOM 0 HA ASN A 122 -35.752 7.975 -23.101 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -33.242 7.321 -24.655 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -33.419 6.875 -22.970 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -35.538 4.823 -25.852 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -34.615 6.270 -26.270 1.00 1.00 H new