USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 24 THR OG1 : rot -157:sc= 0.568 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.693 K(o=1.3,f=-9!) USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 0.105 USER MOD Set 2.2: A 19 THR OG1 : rot -149:sc= -0.0544 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 86:sc= 0.723 USER MOD Single : A 15 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.32) USER MOD Single : A 20 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 29 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.7!) USER MOD Single : A 32 THR OG1 : rot -169:sc= -0.829 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.146) USER MOD Single : A 37 TYR OH : rot -90:sc= -2.3! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.9) USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= -3.88! (180deg=-5.22!) USER MOD Single : A 44 ASN : amide:sc= 0.154 K(o=0.15,f=-4.6!) USER MOD Single : A 62 TYR OH : rot 104:sc= -0.838! USER MOD Single : A 63 ASN : amide:sc= -6.81! C(o=-6.8!,f=-13!) USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= -0.0381 (180deg=-0.981) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 73 SER OG : rot 180:sc= -0.143 USER MOD Single : A 76 ASN : amide:sc= -4.98! C(o=-5!,f=-2.1!) USER MOD Single : A 77 ASN : amide:sc= -3.78! C(o=-3.8!,f=-8!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.155 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.36) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -6.734 -1.280 -10.841 1.00 0.00 N ATOM 160 CA LYS A 12 -6.276 0.143 -10.930 1.00 0.00 C ATOM 161 C LYS A 12 -7.283 1.037 -10.199 1.00 0.00 C ATOM 162 O LYS A 12 -7.890 1.910 -10.788 1.00 0.00 O ATOM 163 CB LYS A 12 -6.173 0.596 -12.391 1.00 0.00 C ATOM 164 CG LYS A 12 -7.429 0.183 -13.160 1.00 0.00 C ATOM 165 CD LYS A 12 -7.808 1.300 -14.137 1.00 0.00 C ATOM 166 CE LYS A 12 -8.783 0.762 -15.186 1.00 0.00 C ATOM 167 NZ LYS A 12 -8.018 0.252 -16.359 1.00 0.00 N ATOM 0 HA LYS A 12 -5.290 0.221 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.049 1.678 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.291 0.154 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.250 -0.746 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.249 -0.005 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.263 2.130 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.914 1.689 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.390 -0.036 -14.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.468 1.550 -15.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.680 -0.114 -17.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.458 1.025 -16.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.382 -0.512 -16.053 1.00 0.00 H new ATOM 181 N ASP A 13 -7.473 0.826 -8.921 1.00 0.00 N ATOM 182 CA ASP A 13 -8.450 1.670 -8.174 1.00 0.00 C ATOM 183 C ASP A 13 -7.969 1.903 -6.737 1.00 0.00 C ATOM 184 O ASP A 13 -7.307 2.877 -6.440 1.00 0.00 O ATOM 185 CB ASP A 13 -9.811 0.971 -8.141 1.00 0.00 C ATOM 186 CG ASP A 13 -10.768 1.662 -9.113 1.00 0.00 C ATOM 187 OD1 ASP A 13 -10.419 1.779 -10.276 1.00 0.00 O ATOM 188 OD2 ASP A 13 -11.834 2.066 -8.677 1.00 0.00 O ATOM 0 H ASP A 13 -6.998 0.112 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.538 2.632 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.698 -0.079 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.220 0.998 -7.131 1.00 0.00 H new ATOM 193 N THR A 14 -8.320 1.013 -5.852 1.00 0.00 N ATOM 194 CA THR A 14 -7.928 1.135 -4.423 1.00 0.00 C ATOM 195 C THR A 14 -6.483 0.682 -4.237 1.00 0.00 C ATOM 196 O THR A 14 -6.213 -0.353 -3.666 1.00 0.00 O ATOM 197 CB THR A 14 -8.839 0.246 -3.577 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.168 0.340 -4.062 1.00 0.00 O ATOM 199 CG2 THR A 14 -8.793 0.701 -2.119 1.00 0.00 C ATOM 0 H THR A 14 -8.876 0.186 -6.067 1.00 0.00 H new ATOM 0 HA THR A 14 -8.023 2.176 -4.113 1.00 0.00 H new ATOM 0 HB THR A 14 -8.499 -0.788 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.295 -0.300 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.444 0.065 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.771 0.628 -1.747 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.132 1.735 -2.050 1.00 0.00 H new ATOM 207 N ASN A 15 -5.555 1.459 -4.703 1.00 0.00 N ATOM 208 CA ASN A 15 -4.116 1.086 -4.541 1.00 0.00 C ATOM 209 C ASN A 15 -3.702 1.383 -3.095 1.00 0.00 C ATOM 210 O ASN A 15 -4.518 1.773 -2.283 1.00 0.00 O ATOM 211 CB ASN A 15 -3.249 1.902 -5.507 1.00 0.00 C ATOM 212 CG ASN A 15 -3.803 3.323 -5.635 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.615 4.143 -4.757 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.482 3.651 -6.700 1.00 0.00 N ATOM 0 H ASN A 15 -5.723 2.339 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.978 0.028 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.221 1.935 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.229 1.421 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.855 4.595 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.640 2.963 -7.436 1.00 0.00 H new ATOM 221 N LEU A 16 -2.459 1.180 -2.747 1.00 0.00 N ATOM 222 CA LEU A 16 -2.045 1.432 -1.333 1.00 0.00 C ATOM 223 C LEU A 16 -1.097 2.625 -1.234 1.00 0.00 C ATOM 224 O LEU A 16 0.076 2.505 -1.503 1.00 0.00 O ATOM 225 CB LEU A 16 -1.288 0.212 -0.790 1.00 0.00 C ATOM 226 CG LEU A 16 -2.215 -0.749 -0.036 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.194 0.034 0.833 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.996 -1.600 -1.037 1.00 0.00 C ATOM 0 H LEU A 16 -1.720 0.855 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.952 1.629 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.812 -0.317 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.492 0.546 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.609 -1.393 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.846 -0.660 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.640 0.634 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.796 0.689 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.654 -2.282 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.592 -0.951 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.299 -2.174 -1.648 1.00 0.00 H new ATOM 240 N TYR A 17 -1.564 3.758 -0.790 1.00 0.00 N ATOM 241 CA TYR A 17 -0.632 4.907 -0.622 1.00 0.00 C ATOM 242 C TYR A 17 0.051 4.725 0.736 1.00 0.00 C ATOM 243 O TYR A 17 -0.369 5.279 1.732 1.00 0.00 O ATOM 244 CB TYR A 17 -1.409 6.225 -0.644 1.00 0.00 C ATOM 245 CG TYR A 17 -0.522 7.338 -0.143 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.851 7.317 -0.415 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.073 8.392 0.596 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.672 8.349 0.052 1.00 0.00 C ATOM 249 CE2 TYR A 17 -0.252 9.424 1.063 1.00 0.00 C ATOM 250 CZ TYR A 17 1.122 9.402 0.792 1.00 0.00 C ATOM 251 OH TYR A 17 1.932 10.420 1.253 1.00 0.00 O ATOM 0 H TYR A 17 -2.536 3.937 -0.539 1.00 0.00 H new ATOM 0 HA TYR A 17 0.099 4.938 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.748 6.443 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.299 6.146 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.276 6.504 -0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.132 8.408 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.731 8.333 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.677 10.237 1.632 1.00 0.00 H new ATOM 0 HH TYR A 17 1.391 11.070 1.747 1.00 0.00 H new ATOM 261 N VAL A 18 1.073 3.910 0.793 1.00 0.00 N ATOM 262 CA VAL A 18 1.743 3.648 2.098 1.00 0.00 C ATOM 263 C VAL A 18 2.750 4.750 2.436 1.00 0.00 C ATOM 264 O VAL A 18 3.601 5.103 1.644 1.00 0.00 O ATOM 265 CB VAL A 18 2.449 2.289 2.044 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.537 1.274 1.351 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.758 2.412 1.262 1.00 0.00 C ATOM 0 H VAL A 18 1.470 3.417 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 18 0.984 3.638 2.881 1.00 0.00 H new ATOM 0 HB VAL A 18 2.669 1.957 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.035 0.305 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.606 1.180 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.319 1.613 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.254 1.442 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.545 2.747 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.409 3.135 1.753 1.00 0.00 H new ATOM 277 N THR A 19 2.659 5.282 3.625 1.00 0.00 N ATOM 278 CA THR A 19 3.608 6.352 4.049 1.00 0.00 C ATOM 279 C THR A 19 4.158 6.006 5.435 1.00 0.00 C ATOM 280 O THR A 19 3.706 5.078 6.071 1.00 0.00 O ATOM 281 CB THR A 19 2.877 7.697 4.111 1.00 0.00 C ATOM 282 OG1 THR A 19 2.152 7.898 2.906 1.00 0.00 O ATOM 283 CG2 THR A 19 3.893 8.825 4.294 1.00 0.00 C ATOM 0 H THR A 19 1.964 5.020 4.325 1.00 0.00 H new ATOM 0 HA THR A 19 4.426 6.423 3.332 1.00 0.00 H new ATOM 0 HB THR A 19 2.185 7.696 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.109 8.856 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.371 9.781 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.445 8.670 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.588 8.829 3.454 1.00 0.00 H new ATOM 291 N ASN A 20 5.124 6.744 5.911 1.00 0.00 N ATOM 292 CA ASN A 20 5.693 6.455 7.261 1.00 0.00 C ATOM 293 C ASN A 20 6.675 5.281 7.179 1.00 0.00 C ATOM 294 O ASN A 20 6.471 4.245 7.781 1.00 0.00 O ATOM 295 CB ASN A 20 4.562 6.110 8.232 1.00 0.00 C ATOM 296 CG ASN A 20 5.045 6.301 9.671 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.176 5.993 9.991 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.229 6.797 10.560 1.00 0.00 N ATOM 0 H ASN A 20 5.545 7.535 5.424 1.00 0.00 H new ATOM 0 HA ASN A 20 6.224 7.338 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.698 6.746 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.240 5.080 8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.541 6.926 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.279 7.056 10.292 1.00 0.00 H new ATOM 305 N LEU A 21 7.745 5.442 6.451 1.00 0.00 N ATOM 306 CA LEU A 21 8.754 4.351 6.337 1.00 0.00 C ATOM 307 C LEU A 21 10.003 4.897 5.636 1.00 0.00 C ATOM 308 O LEU A 21 9.906 5.739 4.766 1.00 0.00 O ATOM 309 CB LEU A 21 8.168 3.153 5.561 1.00 0.00 C ATOM 310 CG LEU A 21 7.932 3.492 4.081 1.00 0.00 C ATOM 311 CD1 LEU A 21 7.218 4.837 3.948 1.00 0.00 C ATOM 312 CD2 LEU A 21 9.268 3.548 3.338 1.00 0.00 C ATOM 0 H LEU A 21 7.965 6.288 5.926 1.00 0.00 H new ATOM 0 HA LEU A 21 9.026 4.000 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.848 2.304 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.227 2.849 6.019 1.00 0.00 H new ATOM 0 HG LEU A 21 7.306 2.714 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.059 5.062 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.256 4.790 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.829 5.620 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.092 3.789 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.901 4.315 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.765 2.580 3.409 1.00 0.00 H new ATOM 324 N PRO A 22 11.144 4.411 6.049 1.00 0.00 N ATOM 325 CA PRO A 22 12.395 4.905 5.428 1.00 0.00 C ATOM 326 C PRO A 22 13.000 3.850 4.499 1.00 0.00 C ATOM 327 O PRO A 22 14.042 3.291 4.775 1.00 0.00 O ATOM 328 CB PRO A 22 13.328 5.172 6.608 1.00 0.00 C ATOM 329 CG PRO A 22 12.812 4.305 7.770 1.00 0.00 C ATOM 330 CD PRO A 22 11.347 3.966 7.448 1.00 0.00 C ATOM 0 HA PRO A 22 12.226 5.792 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.357 4.914 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.322 6.228 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.407 3.397 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.887 4.841 8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.158 2.898 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.666 4.479 8.127 1.00 0.00 H new ATOM 338 N ARG A 23 12.359 3.587 3.393 1.00 0.00 N ATOM 339 CA ARG A 23 12.894 2.580 2.430 1.00 0.00 C ATOM 340 C ARG A 23 13.467 1.378 3.186 1.00 0.00 C ATOM 341 O ARG A 23 14.454 0.796 2.781 1.00 0.00 O ATOM 342 CB ARG A 23 13.999 3.223 1.590 1.00 0.00 C ATOM 343 CG ARG A 23 13.375 3.963 0.406 1.00 0.00 C ATOM 344 CD ARG A 23 14.108 3.580 -0.881 1.00 0.00 C ATOM 345 NE ARG A 23 15.502 4.106 -0.834 1.00 0.00 N ATOM 346 CZ ARG A 23 16.513 3.292 -0.972 1.00 0.00 C ATOM 347 NH1 ARG A 23 16.468 2.339 -1.863 1.00 0.00 N ATOM 348 NH2 ARG A 23 17.568 3.431 -0.218 1.00 0.00 N ATOM 0 H ARG A 23 11.483 4.028 3.113 1.00 0.00 H new ATOM 0 HA ARG A 23 12.085 2.240 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.578 3.915 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.689 2.459 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.318 3.712 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.435 5.040 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.121 2.496 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.583 3.986 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 23 15.666 5.103 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.642 2.230 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.258 1.703 -1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.602 4.175 0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.359 2.795 -0.325 1.00 0.00 H new ATOM 362 N THR A 24 12.856 0.994 4.273 1.00 0.00 N ATOM 363 CA THR A 24 13.374 -0.176 5.037 1.00 0.00 C ATOM 364 C THR A 24 12.914 -1.466 4.356 1.00 0.00 C ATOM 365 O THR A 24 13.294 -2.554 4.744 1.00 0.00 O ATOM 366 CB THR A 24 12.835 -0.131 6.469 1.00 0.00 C ATOM 367 OG1 THR A 24 13.220 1.092 7.078 1.00 0.00 O ATOM 368 CG2 THR A 24 13.406 -1.302 7.269 1.00 0.00 C ATOM 0 H THR A 24 12.025 1.437 4.664 1.00 0.00 H new ATOM 0 HA THR A 24 14.463 -0.145 5.061 1.00 0.00 H new ATOM 0 HB THR A 24 11.748 -0.203 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.206 0.991 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.021 -1.268 8.288 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.111 -2.241 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.494 -1.233 7.289 1.00 0.00 H new ATOM 376 N ILE A 25 12.100 -1.355 3.342 1.00 0.00 N ATOM 377 CA ILE A 25 11.617 -2.574 2.633 1.00 0.00 C ATOM 378 C ILE A 25 11.297 -2.217 1.182 1.00 0.00 C ATOM 379 O ILE A 25 10.930 -1.100 0.875 1.00 0.00 O ATOM 380 CB ILE A 25 10.357 -3.123 3.316 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.744 -2.056 4.233 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.730 -4.356 4.145 1.00 0.00 C ATOM 383 CD1 ILE A 25 8.624 -2.675 5.072 1.00 0.00 C ATOM 0 H ILE A 25 11.748 -0.471 2.973 1.00 0.00 H new ATOM 0 HA ILE A 25 12.394 -3.337 2.665 1.00 0.00 H new ATOM 0 HB ILE A 25 9.627 -3.395 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.512 -1.639 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.351 -1.233 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.838 -4.750 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.154 -5.119 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.464 -4.078 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.192 -1.913 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.851 -3.070 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.030 -3.483 5.681 1.00 0.00 H new ATOM 395 N THR A 26 11.438 -3.153 0.285 1.00 0.00 N ATOM 396 CA THR A 26 11.146 -2.862 -1.146 1.00 0.00 C ATOM 397 C THR A 26 9.684 -3.196 -1.448 1.00 0.00 C ATOM 398 O THR A 26 9.070 -4.014 -0.786 1.00 0.00 O ATOM 399 CB THR A 26 12.059 -3.706 -2.040 1.00 0.00 C ATOM 400 OG1 THR A 26 11.422 -4.943 -2.331 1.00 0.00 O ATOM 401 CG2 THR A 26 13.387 -3.970 -1.325 1.00 0.00 C ATOM 0 H THR A 26 11.743 -4.106 0.481 1.00 0.00 H new ATOM 0 HA THR A 26 11.325 -1.805 -1.343 1.00 0.00 H new ATOM 0 HB THR A 26 12.253 -3.167 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.004 -5.484 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.032 -4.571 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.876 -3.021 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.199 -4.506 -0.395 1.00 0.00 H new ATOM 409 N ASP A 27 9.120 -2.577 -2.450 1.00 0.00 N ATOM 410 CA ASP A 27 7.705 -2.868 -2.796 1.00 0.00 C ATOM 411 C ASP A 27 7.597 -4.334 -3.195 1.00 0.00 C ATOM 412 O ASP A 27 6.759 -5.063 -2.702 1.00 0.00 O ATOM 413 CB ASP A 27 7.265 -1.982 -3.963 1.00 0.00 C ATOM 414 CG ASP A 27 8.270 -2.109 -5.109 1.00 0.00 C ATOM 415 OD1 ASP A 27 9.326 -1.505 -5.017 1.00 0.00 O ATOM 416 OD2 ASP A 27 7.966 -2.810 -6.060 1.00 0.00 O ATOM 0 H ASP A 27 9.579 -1.884 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 27 7.062 -2.665 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.272 -2.276 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.196 -0.944 -3.639 1.00 0.00 H new ATOM 421 N ASP A 28 8.451 -4.782 -4.074 1.00 0.00 N ATOM 422 CA ASP A 28 8.401 -6.208 -4.482 1.00 0.00 C ATOM 423 C ASP A 28 8.392 -7.064 -3.217 1.00 0.00 C ATOM 424 O ASP A 28 7.959 -8.199 -3.222 1.00 0.00 O ATOM 425 CB ASP A 28 9.633 -6.547 -5.327 1.00 0.00 C ATOM 426 CG ASP A 28 9.784 -8.065 -5.428 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.773 -8.747 -5.368 1.00 0.00 O ATOM 428 OD2 ASP A 28 10.907 -8.522 -5.562 1.00 0.00 O ATOM 0 H ASP A 28 9.176 -4.223 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 28 7.507 -6.401 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.534 -6.114 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.526 -6.112 -4.878 1.00 0.00 H new ATOM 433 N GLN A 29 8.869 -6.523 -2.128 1.00 0.00 N ATOM 434 CA GLN A 29 8.890 -7.297 -0.862 1.00 0.00 C ATOM 435 C GLN A 29 7.489 -7.326 -0.250 1.00 0.00 C ATOM 436 O GLN A 29 7.043 -8.340 0.246 1.00 0.00 O ATOM 437 CB GLN A 29 9.865 -6.650 0.125 1.00 0.00 C ATOM 438 CG GLN A 29 11.053 -7.586 0.359 1.00 0.00 C ATOM 439 CD GLN A 29 12.252 -6.775 0.855 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.113 -5.925 1.712 1.00 0.00 O ATOM 441 NE2 GLN A 29 13.433 -7.003 0.350 1.00 0.00 N ATOM 0 H GLN A 29 9.245 -5.577 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 29 9.213 -8.316 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.213 -5.694 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.360 -6.444 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.789 -8.350 1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.308 -8.105 -0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.551 -7.716 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.238 -6.468 0.675 1.00 0.00 H new ATOM 450 N LEU A 30 6.790 -6.226 -0.277 1.00 0.00 N ATOM 451 CA LEU A 30 5.420 -6.218 0.309 1.00 0.00 C ATOM 452 C LEU A 30 4.650 -7.444 -0.197 1.00 0.00 C ATOM 453 O LEU A 30 3.990 -8.130 0.559 1.00 0.00 O ATOM 454 CB LEU A 30 4.689 -4.935 -0.097 1.00 0.00 C ATOM 455 CG LEU A 30 4.949 -3.850 0.951 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.448 -3.772 1.245 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.466 -2.498 0.417 1.00 0.00 C ATOM 0 H LEU A 30 7.103 -5.341 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 30 5.486 -6.254 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.033 -4.601 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.619 -5.124 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 30 4.410 -4.095 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.633 -2.999 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.795 -4.733 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.986 -3.528 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.651 -1.725 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.005 -2.255 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.398 -2.551 0.206 1.00 0.00 H new ATOM 469 N ASP A 31 4.735 -7.739 -1.466 1.00 0.00 N ATOM 470 CA ASP A 31 4.013 -8.931 -1.998 1.00 0.00 C ATOM 471 C ASP A 31 4.486 -10.175 -1.247 1.00 0.00 C ATOM 472 O ASP A 31 3.708 -11.043 -0.901 1.00 0.00 O ATOM 473 CB ASP A 31 4.318 -9.097 -3.490 1.00 0.00 C ATOM 474 CG ASP A 31 3.722 -10.414 -3.992 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.386 -11.430 -3.865 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.610 -10.386 -4.492 1.00 0.00 O ATOM 0 H ASP A 31 5.270 -7.210 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 31 2.940 -8.798 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.902 -8.260 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.395 -9.088 -3.655 1.00 0.00 H new ATOM 481 N THR A 32 5.763 -10.267 -1.000 1.00 0.00 N ATOM 482 CA THR A 32 6.306 -11.452 -0.280 1.00 0.00 C ATOM 483 C THR A 32 5.720 -11.535 1.135 1.00 0.00 C ATOM 484 O THR A 32 5.475 -12.613 1.642 1.00 0.00 O ATOM 485 CB THR A 32 7.833 -11.344 -0.197 1.00 0.00 C ATOM 486 OG1 THR A 32 8.290 -10.365 -1.122 1.00 0.00 O ATOM 487 CG2 THR A 32 8.457 -12.697 -0.536 1.00 0.00 C ATOM 0 H THR A 32 6.457 -9.569 -1.267 1.00 0.00 H new ATOM 0 HA THR A 32 6.029 -12.353 -0.827 1.00 0.00 H new ATOM 0 HB THR A 32 8.123 -11.052 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.266 -10.416 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.543 -12.622 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.106 -13.447 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.167 -12.988 -1.546 1.00 0.00 H new ATOM 495 N ILE A 33 5.497 -10.422 1.788 1.00 0.00 N ATOM 496 CA ILE A 33 4.935 -10.492 3.170 1.00 0.00 C ATOM 497 C ILE A 33 3.501 -11.028 3.120 1.00 0.00 C ATOM 498 O ILE A 33 3.065 -11.731 4.009 1.00 0.00 O ATOM 499 CB ILE A 33 4.958 -9.110 3.840 1.00 0.00 C ATOM 500 CG1 ILE A 33 4.492 -9.257 5.292 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.028 -8.138 3.108 1.00 0.00 C ATOM 502 CD1 ILE A 33 5.465 -8.531 6.223 1.00 0.00 C ATOM 0 H ILE A 33 5.676 -9.483 1.431 1.00 0.00 H new ATOM 0 HA ILE A 33 5.553 -11.168 3.761 1.00 0.00 H new ATOM 0 HB ILE A 33 5.973 -8.714 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.489 -8.845 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.435 -10.312 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.059 -7.165 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.353 -8.033 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.009 -8.523 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.130 -8.638 7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.460 -8.963 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.499 -7.474 5.961 1.00 0.00 H new ATOM 514 N PHE A 34 2.763 -10.715 2.088 1.00 0.00 N ATOM 515 CA PHE A 34 1.367 -11.229 2.001 1.00 0.00 C ATOM 516 C PHE A 34 1.389 -12.639 1.402 1.00 0.00 C ATOM 517 O PHE A 34 1.165 -13.619 2.085 1.00 0.00 O ATOM 518 CB PHE A 34 0.526 -10.324 1.098 1.00 0.00 C ATOM 519 CG PHE A 34 0.995 -8.892 1.190 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.050 -8.244 2.430 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.369 -8.207 0.026 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.482 -6.914 2.505 1.00 0.00 C ATOM 523 CE2 PHE A 34 1.802 -6.880 0.102 1.00 0.00 C ATOM 524 CZ PHE A 34 1.859 -6.234 1.340 1.00 0.00 C ATOM 0 H PHE A 34 3.064 -10.131 1.308 1.00 0.00 H new ATOM 0 HA PHE A 34 0.932 -11.246 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.594 -10.668 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.523 -10.387 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.760 -8.769 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.323 -8.705 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.524 -6.413 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.092 -6.354 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.194 -5.209 1.398 1.00 0.00 H new ATOM 534 N GLY A 35 1.660 -12.747 0.126 1.00 0.00 N ATOM 535 CA GLY A 35 1.701 -14.089 -0.523 1.00 0.00 C ATOM 536 C GLY A 35 0.435 -14.309 -1.355 1.00 0.00 C ATOM 537 O GLY A 35 0.484 -14.848 -2.443 1.00 0.00 O ATOM 0 H GLY A 35 1.855 -11.961 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.582 -14.167 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.786 -14.866 0.236 1.00 0.00 H new ATOM 541 N LYS A 36 -0.701 -13.905 -0.854 1.00 0.00 N ATOM 542 CA LYS A 36 -1.966 -14.105 -1.617 1.00 0.00 C ATOM 543 C LYS A 36 -3.121 -13.442 -0.869 1.00 0.00 C ATOM 544 O LYS A 36 -3.660 -13.988 0.074 1.00 0.00 O ATOM 545 CB LYS A 36 -2.242 -15.599 -1.733 1.00 0.00 C ATOM 546 CG LYS A 36 -2.036 -16.234 -0.362 1.00 0.00 C ATOM 547 CD LYS A 36 -0.591 -16.716 -0.240 1.00 0.00 C ATOM 548 CE LYS A 36 -0.574 -18.164 0.252 1.00 0.00 C ATOM 549 NZ LYS A 36 -1.150 -18.231 1.624 1.00 0.00 N ATOM 0 H LYS A 36 -0.808 -13.445 0.050 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.871 -13.663 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.260 -15.771 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.574 -16.052 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.258 -15.511 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.723 -17.070 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.090 -16.643 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.042 -16.079 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.148 -18.796 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.447 -18.546 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.884 -19.133 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.783 -17.442 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.186 -18.165 1.569 1.00 0.00 H new ATOM 563 N TYR A 37 -3.496 -12.264 -1.268 1.00 0.00 N ATOM 564 CA TYR A 37 -4.604 -11.558 -0.566 1.00 0.00 C ATOM 565 C TYR A 37 -5.549 -10.914 -1.590 1.00 0.00 C ATOM 566 O TYR A 37 -6.695 -10.638 -1.296 1.00 0.00 O ATOM 567 CB TYR A 37 -4.018 -10.477 0.358 1.00 0.00 C ATOM 568 CG TYR A 37 -2.906 -9.746 -0.358 1.00 0.00 C ATOM 569 CD1 TYR A 37 -1.747 -10.431 -0.743 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.041 -8.389 -0.660 1.00 0.00 C ATOM 571 CE1 TYR A 37 -0.737 -9.766 -1.431 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.022 -7.719 -1.343 1.00 0.00 C ATOM 573 CZ TYR A 37 -0.870 -8.411 -1.732 1.00 0.00 C ATOM 574 OH TYR A 37 0.131 -7.762 -2.416 1.00 0.00 O ATOM 0 H TYR A 37 -3.084 -11.756 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.168 -12.276 0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.798 -9.775 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.638 -10.933 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.637 -11.479 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.934 -7.857 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.152 -10.300 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.124 -6.668 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 37 0.777 -7.393 -1.778 1.00 0.00 H new ATOM 584 N GLY A 38 -5.087 -10.675 -2.791 1.00 0.00 N ATOM 585 CA GLY A 38 -5.970 -10.055 -3.815 1.00 0.00 C ATOM 586 C GLY A 38 -5.207 -9.907 -5.131 1.00 0.00 C ATOM 587 O GLY A 38 -4.079 -10.340 -5.258 1.00 0.00 O ATOM 0 H GLY A 38 -4.138 -10.883 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.857 -10.670 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.313 -9.079 -3.471 1.00 0.00 H new ATOM 591 N SER A 39 -5.813 -9.296 -6.109 1.00 0.00 N ATOM 592 CA SER A 39 -5.121 -9.118 -7.414 1.00 0.00 C ATOM 593 C SER A 39 -4.330 -7.811 -7.390 1.00 0.00 C ATOM 594 O SER A 39 -4.700 -6.846 -8.029 1.00 0.00 O ATOM 595 CB SER A 39 -6.156 -9.066 -8.539 1.00 0.00 C ATOM 596 OG SER A 39 -5.564 -9.534 -9.743 1.00 0.00 O ATOM 0 H SER A 39 -6.757 -8.912 -6.061 1.00 0.00 H new ATOM 0 HA SER A 39 -4.443 -9.954 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.020 -9.679 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.517 -8.046 -8.670 1.00 0.00 H new ATOM 0 HG SER A 39 -6.225 -9.504 -10.466 1.00 0.00 H new ATOM 602 N ILE A 40 -3.247 -7.773 -6.650 1.00 0.00 N ATOM 603 CA ILE A 40 -2.423 -6.524 -6.580 1.00 0.00 C ATOM 604 C ILE A 40 -2.396 -5.864 -7.975 1.00 0.00 C ATOM 605 O ILE A 40 -2.230 -6.524 -8.981 1.00 0.00 O ATOM 606 CB ILE A 40 -0.984 -6.843 -6.116 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.717 -8.361 -6.153 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.739 -6.302 -4.704 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.112 -9.009 -4.820 1.00 0.00 C ATOM 0 H ILE A 40 -2.898 -8.552 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.867 -5.841 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.295 -6.353 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.282 -8.816 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.338 -8.546 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.280 -6.537 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.879 -5.221 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.443 -6.762 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.917 -10.080 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.528 -8.567 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.173 -8.841 -4.634 1.00 0.00 H new ATOM 621 N VAL A 41 -2.596 -4.567 -8.034 1.00 0.00 N ATOM 622 CA VAL A 41 -2.627 -3.853 -9.348 1.00 0.00 C ATOM 623 C VAL A 41 -1.314 -3.104 -9.621 1.00 0.00 C ATOM 624 O VAL A 41 -1.324 -1.943 -9.976 1.00 0.00 O ATOM 625 CB VAL A 41 -3.772 -2.848 -9.305 1.00 0.00 C ATOM 626 CG1 VAL A 41 -5.018 -3.535 -8.758 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.397 -1.688 -8.381 1.00 0.00 C ATOM 0 H VAL A 41 -2.740 -3.970 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.763 -4.585 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.964 -2.470 -10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.842 -2.822 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.287 -4.370 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.818 -3.905 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.215 -0.969 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.210 -2.069 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.498 -1.199 -8.757 1.00 0.00 H new ATOM 637 N GLN A 42 -0.196 -3.764 -9.451 1.00 0.00 N ATOM 638 CA GLN A 42 1.142 -3.121 -9.692 1.00 0.00 C ATOM 639 C GLN A 42 1.664 -2.446 -8.413 1.00 0.00 C ATOM 640 O GLN A 42 0.963 -1.704 -7.753 1.00 0.00 O ATOM 641 CB GLN A 42 1.036 -2.078 -10.806 1.00 0.00 C ATOM 642 CG GLN A 42 2.436 -1.740 -11.323 1.00 0.00 C ATOM 643 CD GLN A 42 2.720 -0.254 -11.096 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.633 0.231 -9.985 1.00 0.00 O ATOM 645 NE2 GLN A 42 3.061 0.492 -12.110 1.00 0.00 N ATOM 0 H GLN A 42 -0.149 -4.738 -9.150 1.00 0.00 H new ATOM 0 HA GLN A 42 1.841 -3.903 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.419 -2.460 -11.619 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.548 -1.178 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.181 -2.346 -10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.510 -1.977 -12.384 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.134 0.084 -13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.255 1.484 -11.971 1.00 0.00 H new ATOM 654 N LYS A 43 2.906 -2.697 -8.072 1.00 0.00 N ATOM 655 CA LYS A 43 3.512 -2.083 -6.848 1.00 0.00 C ATOM 656 C LYS A 43 4.382 -0.891 -7.279 1.00 0.00 C ATOM 657 O LYS A 43 4.637 -0.700 -8.451 1.00 0.00 O ATOM 658 CB LYS A 43 4.388 -3.130 -6.146 1.00 0.00 C ATOM 659 CG LYS A 43 3.826 -3.432 -4.749 1.00 0.00 C ATOM 660 CD LYS A 43 4.658 -4.539 -4.088 1.00 0.00 C ATOM 661 CE LYS A 43 4.070 -5.900 -4.435 1.00 0.00 C ATOM 662 NZ LYS A 43 4.957 -6.583 -5.418 1.00 0.00 N ATOM 0 H LYS A 43 3.532 -3.308 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 43 2.732 -1.745 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.422 -4.044 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.412 -2.764 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.847 -2.532 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.784 -3.742 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.692 -4.482 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.669 -4.402 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.971 -6.506 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.070 -5.781 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.397 -6.882 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.703 -5.927 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.391 -7.417 -4.973 1.00 0.00 H new ATOM 676 N ASN A 44 4.838 -0.090 -6.354 1.00 0.00 N ATOM 677 CA ASN A 44 5.684 1.079 -6.742 1.00 0.00 C ATOM 678 C ASN A 44 6.486 1.579 -5.537 1.00 0.00 C ATOM 679 O ASN A 44 6.188 1.260 -4.403 1.00 0.00 O ATOM 680 CB ASN A 44 4.785 2.207 -7.252 1.00 0.00 C ATOM 681 CG ASN A 44 5.462 2.904 -8.433 1.00 0.00 C ATOM 682 OD1 ASN A 44 6.673 2.927 -8.528 1.00 0.00 O ATOM 683 ND2 ASN A 44 4.726 3.477 -9.345 1.00 0.00 N ATOM 0 H ASN A 44 4.664 -0.192 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 44 6.376 0.770 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.819 1.806 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.594 2.924 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.167 3.944 -10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.709 3.458 -9.266 1.00 0.00 H new ATOM 690 N ILE A 45 7.499 2.372 -5.777 1.00 0.00 N ATOM 691 CA ILE A 45 8.320 2.909 -4.654 1.00 0.00 C ATOM 692 C ILE A 45 8.692 4.366 -4.959 1.00 0.00 C ATOM 693 O ILE A 45 9.511 4.643 -5.813 1.00 0.00 O ATOM 694 CB ILE A 45 9.589 2.052 -4.485 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.289 0.901 -3.520 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.737 2.896 -3.913 1.00 0.00 C ATOM 697 CD1 ILE A 45 10.594 0.206 -3.114 1.00 0.00 C ATOM 0 H ILE A 45 7.793 2.671 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 45 7.751 2.872 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 45 9.886 1.665 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.779 1.281 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.617 0.185 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.625 2.274 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.955 3.721 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.447 3.293 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.373 -0.611 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.087 -0.189 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.251 0.924 -2.623 1.00 0.00 H new ATOM 709 N LEU A 46 8.097 5.295 -4.263 1.00 0.00 N ATOM 710 CA LEU A 46 8.411 6.731 -4.504 1.00 0.00 C ATOM 711 C LEU A 46 9.504 7.176 -3.530 1.00 0.00 C ATOM 712 O LEU A 46 9.422 6.937 -2.340 1.00 0.00 O ATOM 713 CB LEU A 46 7.151 7.572 -4.274 1.00 0.00 C ATOM 714 CG LEU A 46 6.195 7.424 -5.462 1.00 0.00 C ATOM 715 CD1 LEU A 46 6.699 8.267 -6.635 1.00 0.00 C ATOM 716 CD2 LEU A 46 6.115 5.956 -5.891 1.00 0.00 C ATOM 0 H LEU A 46 7.404 5.120 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 46 8.756 6.865 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.655 7.255 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.422 8.620 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 46 5.204 7.766 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.018 8.160 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.746 9.314 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.693 7.928 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.433 5.861 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.106 5.608 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.749 5.353 -5.060 1.00 0.00 H new ATOM 728 N ARG A 47 10.529 7.817 -4.021 1.00 0.00 N ATOM 729 CA ARG A 47 11.625 8.268 -3.117 1.00 0.00 C ATOM 730 C ARG A 47 12.023 9.707 -3.458 1.00 0.00 C ATOM 731 O ARG A 47 11.955 10.591 -2.627 1.00 0.00 O ATOM 732 CB ARG A 47 12.837 7.343 -3.277 1.00 0.00 C ATOM 733 CG ARG A 47 13.037 6.990 -4.756 1.00 0.00 C ATOM 734 CD ARG A 47 13.779 5.656 -4.868 1.00 0.00 C ATOM 735 NE ARG A 47 14.263 5.475 -6.266 1.00 0.00 N ATOM 736 CZ ARG A 47 15.421 4.913 -6.487 1.00 0.00 C ATOM 737 NH1 ARG A 47 15.594 3.649 -6.216 1.00 0.00 N ATOM 738 NH2 ARG A 47 16.403 5.613 -6.983 1.00 0.00 N ATOM 0 H ARG A 47 10.655 8.048 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 47 11.277 8.231 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.731 7.830 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.690 6.434 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.072 6.925 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.604 7.776 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.620 5.636 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.118 4.835 -4.591 1.00 0.00 H new ATOM 0 HE ARG A 47 13.690 5.790 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.825 3.100 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.498 3.210 -6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.267 6.601 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.307 5.173 -7.155 1.00 0.00 H new ATOM 888 N GLY A 56 10.265 9.202 1.562 1.00 0.00 N ATOM 889 CA GLY A 56 10.116 7.762 1.912 1.00 0.00 C ATOM 890 C GLY A 56 8.640 7.364 1.836 1.00 0.00 C ATOM 891 O GLY A 56 7.939 7.354 2.827 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.704 7.149 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.501 7.580 2.915 1.00 0.00 H new ATOM 895 N VAL A 57 8.166 7.036 0.666 1.00 0.00 N ATOM 896 CA VAL A 57 6.736 6.637 0.524 1.00 0.00 C ATOM 897 C VAL A 57 6.621 5.567 -0.564 1.00 0.00 C ATOM 898 O VAL A 57 7.274 5.643 -1.585 1.00 0.00 O ATOM 899 CB VAL A 57 5.903 7.857 0.126 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.773 8.798 1.325 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.592 8.591 -1.027 1.00 0.00 C ATOM 0 H VAL A 57 8.707 7.027 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 57 6.369 6.241 1.471 1.00 0.00 H new ATOM 0 HB VAL A 57 4.912 7.533 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.180 9.668 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.283 8.275 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.764 9.123 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.999 9.460 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.583 8.916 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.685 7.920 -1.881 1.00 0.00 H new ATOM 911 N ALA A 58 5.801 4.572 -0.361 1.00 0.00 N ATOM 912 CA ALA A 58 5.661 3.510 -1.398 1.00 0.00 C ATOM 913 C ALA A 58 4.199 3.366 -1.806 1.00 0.00 C ATOM 914 O ALA A 58 3.315 4.011 -1.270 1.00 0.00 O ATOM 915 CB ALA A 58 6.150 2.169 -0.845 1.00 0.00 C ATOM 0 H ALA A 58 5.225 4.449 0.472 1.00 0.00 H new ATOM 0 HA ALA A 58 6.260 3.793 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.044 1.400 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.198 2.254 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.557 1.897 0.028 1.00 0.00 H new ATOM 921 N PHE A 59 3.938 2.511 -2.750 1.00 0.00 N ATOM 922 CA PHE A 59 2.541 2.304 -3.196 1.00 0.00 C ATOM 923 C PHE A 59 2.331 0.825 -3.515 1.00 0.00 C ATOM 924 O PHE A 59 2.822 0.323 -4.503 1.00 0.00 O ATOM 925 CB PHE A 59 2.274 3.144 -4.446 1.00 0.00 C ATOM 926 CG PHE A 59 2.030 4.576 -4.036 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.113 5.438 -3.828 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.721 5.043 -3.864 1.00 0.00 C ATOM 929 CE1 PHE A 59 2.887 6.766 -3.446 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.495 6.371 -3.482 1.00 0.00 C ATOM 931 CZ PHE A 59 1.579 7.232 -3.274 1.00 0.00 C ATOM 0 H PHE A 59 4.636 1.945 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 59 1.854 2.608 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.124 3.087 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.409 2.754 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.123 5.079 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.115 4.378 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.723 7.431 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.515 6.731 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.406 8.257 -2.981 1.00 0.00 H new ATOM 941 N VAL A 60 1.604 0.120 -2.692 1.00 0.00 N ATOM 942 CA VAL A 60 1.380 -1.321 -2.981 1.00 0.00 C ATOM 943 C VAL A 60 0.301 -1.428 -4.051 1.00 0.00 C ATOM 944 O VAL A 60 -0.220 -0.436 -4.521 1.00 0.00 O ATOM 945 CB VAL A 60 0.996 -2.072 -1.682 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.443 -2.621 -1.725 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.964 -3.243 -1.491 1.00 0.00 C ATOM 0 H VAL A 60 1.162 0.475 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 60 2.291 -1.789 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 60 1.056 -1.364 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.663 -3.139 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.143 -1.796 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.542 -3.317 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.707 -3.783 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.892 -3.917 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.983 -2.864 -1.413 1.00 0.00 H new ATOM 957 N ARG A 61 -0.002 -2.614 -4.476 1.00 0.00 N ATOM 958 CA ARG A 61 -0.996 -2.768 -5.556 1.00 0.00 C ATOM 959 C ARG A 61 -2.332 -3.319 -5.043 1.00 0.00 C ATOM 960 O ARG A 61 -2.403 -4.383 -4.466 1.00 0.00 O ATOM 961 CB ARG A 61 -0.432 -3.732 -6.597 1.00 0.00 C ATOM 962 CG ARG A 61 1.009 -4.169 -6.267 1.00 0.00 C ATOM 963 CD ARG A 61 1.490 -5.171 -7.328 1.00 0.00 C ATOM 964 NE ARG A 61 1.886 -6.450 -6.673 1.00 0.00 N ATOM 965 CZ ARG A 61 2.398 -7.416 -7.388 1.00 0.00 C ATOM 966 NH1 ARG A 61 2.249 -7.418 -8.684 1.00 0.00 N ATOM 967 NH2 ARG A 61 3.054 -8.384 -6.806 1.00 0.00 N ATOM 0 H ARG A 61 0.397 -3.483 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.187 -1.783 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.072 -4.612 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.450 -3.256 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.668 -3.301 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.046 -4.624 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.698 -5.354 -8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.336 -4.756 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 61 1.757 -6.571 -5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.733 -6.665 -9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.649 -8.172 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.167 -8.386 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.453 -9.138 -7.365 1.00 0.00 H new ATOM 981 N TYR A 62 -3.404 -2.613 -5.283 1.00 0.00 N ATOM 982 CA TYR A 62 -4.735 -3.123 -4.853 1.00 0.00 C ATOM 983 C TYR A 62 -5.842 -2.353 -5.575 1.00 0.00 C ATOM 984 O TYR A 62 -5.638 -1.244 -6.027 1.00 0.00 O ATOM 985 CB TYR A 62 -4.900 -2.962 -3.343 1.00 0.00 C ATOM 986 CG TYR A 62 -5.151 -4.313 -2.717 1.00 0.00 C ATOM 987 CD1 TYR A 62 -5.802 -5.316 -3.443 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.733 -4.562 -1.408 1.00 0.00 C ATOM 989 CE1 TYR A 62 -6.033 -6.559 -2.865 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.968 -5.813 -0.823 1.00 0.00 C ATOM 991 CZ TYR A 62 -5.619 -6.815 -1.557 1.00 0.00 C ATOM 992 OH TYR A 62 -5.863 -8.048 -0.986 1.00 0.00 O ATOM 0 H TYR A 62 -3.415 -1.709 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.804 -4.181 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.005 -2.512 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.730 -2.289 -3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.126 -5.124 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.228 -3.790 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -6.535 -7.330 -3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.649 -6.005 0.191 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.035 -8.572 -0.972 1.00 0.00 H new ATOM 1002 N ASN A 63 -7.025 -2.913 -5.672 1.00 0.00 N ATOM 1003 CA ASN A 63 -8.125 -2.169 -6.347 1.00 0.00 C ATOM 1004 C ASN A 63 -9.485 -2.524 -5.733 1.00 0.00 C ATOM 1005 O ASN A 63 -10.149 -1.684 -5.164 1.00 0.00 O ATOM 1006 CB ASN A 63 -8.155 -2.478 -7.840 1.00 0.00 C ATOM 1007 CG ASN A 63 -7.977 -3.983 -8.068 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -7.028 -4.573 -7.594 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -8.868 -4.639 -8.763 1.00 0.00 N ATOM 0 H ASN A 63 -7.270 -3.838 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.934 -1.106 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.100 -2.146 -8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.363 -1.929 -8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.765 -5.644 -8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.667 -4.146 -9.163 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.919 -3.752 -5.846 1.00 0.00 N ATOM 1017 CA LYS A 64 -11.243 -4.119 -5.270 1.00 0.00 C ATOM 1018 C LYS A 64 -11.313 -3.620 -3.829 1.00 0.00 C ATOM 1019 O LYS A 64 -10.786 -4.233 -2.933 1.00 0.00 O ATOM 1020 CB LYS A 64 -11.422 -5.639 -5.303 1.00 0.00 C ATOM 1021 CG LYS A 64 -12.760 -5.979 -5.965 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.700 -7.391 -6.554 1.00 0.00 C ATOM 1023 CE LYS A 64 -13.732 -7.525 -7.677 1.00 0.00 C ATOM 1024 NZ LYS A 64 -14.975 -6.792 -7.304 1.00 0.00 N ATOM 0 H LYS A 64 -9.417 -4.510 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.038 -3.659 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.603 -6.101 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.392 -6.042 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.566 -5.913 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.982 -5.256 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.701 -7.593 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.897 -8.129 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.327 -7.125 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.957 -8.577 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.783 -7.192 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.140 -6.886 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.871 -5.786 -7.547 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.949 -2.499 -3.614 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.059 -1.914 -2.239 1.00 0.00 C ATOM 1040 C ARG A 65 -12.064 -3.011 -1.162 1.00 0.00 C ATOM 1041 O ARG A 65 -11.526 -2.830 -0.087 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.356 -1.107 -2.143 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.541 -1.983 -2.562 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.645 -2.001 -4.089 1.00 0.00 C ATOM 1045 NE ARG A 65 -16.073 -1.852 -4.490 1.00 0.00 N ATOM 1046 CZ ARG A 65 -16.922 -2.811 -4.245 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -16.575 -4.056 -4.434 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -18.119 -2.529 -3.810 1.00 0.00 N ATOM 0 H ARG A 65 -12.406 -1.952 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.195 -1.273 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.498 -0.749 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.297 -0.227 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.410 -2.997 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.464 -1.598 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.050 -1.193 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.241 -2.934 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.386 -1.000 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.639 -4.279 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.240 -4.805 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.392 -1.557 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.782 -3.280 -3.619 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.657 -4.140 -1.432 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.680 -5.229 -0.412 1.00 0.00 C ATOM 1064 C GLU A 66 -11.257 -5.750 -0.191 1.00 0.00 C ATOM 1065 O GLU A 66 -10.684 -5.621 0.881 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.570 -6.372 -0.907 1.00 0.00 C ATOM 1067 CG GLU A 66 -15.038 -6.038 -0.631 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.932 -6.883 -1.540 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.397 -7.696 -2.273 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -17.138 -6.702 -1.487 1.00 0.00 O ATOM 0 H GLU A 66 -13.126 -4.357 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.075 -4.840 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.417 -6.529 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.298 -7.301 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.276 -6.233 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.220 -4.978 -0.807 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.671 -6.336 -1.197 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.288 -6.852 -1.035 1.00 0.00 C ATOM 1079 C GLU A 67 -8.384 -5.701 -0.575 1.00 0.00 C ATOM 1080 O GLU A 67 -7.373 -5.905 0.076 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.806 -7.428 -2.366 1.00 0.00 C ATOM 1082 CG GLU A 67 -8.791 -6.322 -3.424 1.00 0.00 C ATOM 1083 CD GLU A 67 -8.381 -6.903 -4.776 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.459 -8.111 -4.928 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -8.000 -6.131 -5.641 1.00 0.00 O ATOM 0 H GLU A 67 -11.088 -6.478 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.259 -7.645 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.808 -7.850 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.461 -8.240 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.778 -5.865 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.096 -5.535 -3.131 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.760 -4.482 -0.858 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.942 -3.341 -0.381 1.00 0.00 C ATOM 1094 C ALA A 68 -8.023 -3.368 1.138 1.00 0.00 C ATOM 1095 O ALA A 68 -7.033 -3.261 1.837 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.509 -2.024 -0.915 1.00 0.00 C ATOM 0 H ALA A 68 -9.591 -4.233 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.911 -3.419 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.900 -1.194 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.499 -2.039 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.533 -1.900 -0.563 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.210 -3.564 1.647 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.386 -3.665 3.115 1.00 0.00 C ATOM 1104 C GLN A 69 -8.332 -4.638 3.625 1.00 0.00 C ATOM 1105 O GLN A 69 -7.802 -4.495 4.708 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.783 -4.205 3.418 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.050 -4.150 4.922 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.415 -4.777 5.213 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -12.684 -5.889 4.802 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.296 -4.109 5.904 1.00 0.00 N ATOM 0 H GLN A 69 -10.067 -3.658 1.102 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.278 -2.693 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.532 -3.619 2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.870 -5.232 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.268 -4.684 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.029 -3.117 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.072 -3.176 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.209 -4.520 6.099 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.014 -5.626 2.828 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.968 -6.604 3.242 1.00 0.00 C ATOM 1121 C GLU A 70 -5.663 -5.847 3.460 1.00 0.00 C ATOM 1122 O GLU A 70 -5.045 -5.942 4.499 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.748 -7.648 2.144 1.00 0.00 C ATOM 1124 CG GLU A 70 -6.900 -9.051 2.736 1.00 0.00 C ATOM 1125 CD GLU A 70 -7.996 -9.806 1.982 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.884 -9.918 0.772 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -8.925 -10.264 2.627 1.00 0.00 O ATOM 0 H GLU A 70 -8.432 -5.796 1.913 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.287 -7.108 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.468 -7.502 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.755 -7.531 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.956 -9.592 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.151 -8.985 3.795 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.241 -5.085 2.485 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.974 -4.315 2.651 1.00 0.00 C ATOM 1136 C ALA A 71 -4.126 -3.350 3.829 1.00 0.00 C ATOM 1137 O ALA A 71 -3.170 -2.783 4.314 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.658 -3.541 1.375 1.00 0.00 C ATOM 0 H ALA A 71 -5.714 -4.963 1.589 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.153 -5.004 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.731 -2.983 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.546 -4.238 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.471 -2.848 1.159 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.318 -3.172 4.313 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.501 -2.276 5.481 1.00 0.00 C ATOM 1146 C ILE A 72 -5.120 -3.067 6.733 1.00 0.00 C ATOM 1147 O ILE A 72 -4.214 -2.711 7.461 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.965 -1.837 5.577 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.389 -1.188 4.257 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.123 -0.824 6.713 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.620 0.121 4.058 1.00 0.00 C ATOM 0 H ILE A 72 -6.169 -3.605 3.953 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.879 -1.386 5.381 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.591 -2.707 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.193 -1.867 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.462 -0.994 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.165 -0.512 6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.820 -1.283 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.496 0.046 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.923 0.582 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.839 0.800 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.550 -0.086 4.032 1.00 0.00 H new ATOM 1163 N SER A 73 -5.800 -4.154 6.971 1.00 0.00 N ATOM 1164 CA SER A 73 -5.495 -4.995 8.161 1.00 0.00 C ATOM 1165 C SER A 73 -4.220 -5.813 7.918 1.00 0.00 C ATOM 1166 O SER A 73 -3.837 -6.630 8.732 1.00 0.00 O ATOM 1167 CB SER A 73 -6.675 -5.941 8.413 1.00 0.00 C ATOM 1168 OG SER A 73 -6.227 -7.292 8.365 1.00 0.00 O ATOM 0 H SER A 73 -6.561 -4.498 6.386 1.00 0.00 H new ATOM 0 HA SER A 73 -5.338 -4.355 9.029 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.121 -5.730 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.450 -5.778 7.664 1.00 0.00 H new ATOM 0 HG SER A 73 -6.983 -7.893 8.528 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.562 -5.611 6.810 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.321 -6.390 6.534 1.00 0.00 C ATOM 1176 C ALA A 74 -1.201 -5.445 6.095 1.00 0.00 C ATOM 1177 O ALA A 74 -0.124 -5.441 6.655 1.00 0.00 O ATOM 1178 CB ALA A 74 -2.589 -7.404 5.417 1.00 0.00 C ATOM 0 H ALA A 74 -3.828 -4.943 6.086 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.020 -6.913 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.681 -7.973 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.382 -8.084 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.894 -6.877 4.513 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.446 -4.652 5.089 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.395 -3.716 4.600 1.00 0.00 C ATOM 1186 C LEU A 75 -0.319 -2.475 5.509 1.00 0.00 C ATOM 1187 O LEU A 75 0.615 -1.704 5.423 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.702 -3.312 3.149 1.00 0.00 C ATOM 1189 CG LEU A 75 0.088 -4.218 2.193 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.808 -5.345 1.670 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.595 -3.406 1.000 1.00 0.00 C ATOM 0 H LEU A 75 -2.331 -4.612 4.583 1.00 0.00 H new ATOM 0 HA LEU A 75 0.574 -4.215 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.771 -3.401 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.433 -2.268 2.985 1.00 0.00 H new ATOM 0 HG LEU A 75 0.931 -4.640 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.236 -5.980 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.170 -5.941 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.656 -4.917 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.154 -4.057 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.252 -2.975 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.245 -2.606 1.354 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.269 -2.275 6.400 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.186 -1.089 7.318 1.00 0.00 C ATOM 1205 C ASN A 76 -0.273 -1.433 8.504 1.00 0.00 C ATOM 1206 O ASN A 76 -0.574 -1.113 9.638 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.575 -0.738 7.869 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.598 0.730 8.303 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.652 1.321 8.429 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.472 1.349 8.540 1.00 0.00 N ATOM 0 H ASN A 76 -2.086 -2.872 6.529 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.791 -0.242 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.335 -0.915 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.815 -1.382 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.479 2.327 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.586 0.854 8.435 1.00 0.00 H new ATOM 1217 N ASN A 77 0.832 -2.085 8.251 1.00 0.00 N ATOM 1218 CA ASN A 77 1.773 -2.470 9.349 1.00 0.00 C ATOM 1219 C ASN A 77 2.604 -3.668 8.887 1.00 0.00 C ATOM 1220 O ASN A 77 2.710 -4.663 9.578 1.00 0.00 O ATOM 1221 CB ASN A 77 0.994 -2.860 10.611 1.00 0.00 C ATOM 1222 CG ASN A 77 -0.274 -3.625 10.223 1.00 0.00 C ATOM 1223 OD1 ASN A 77 -0.366 -4.162 9.137 1.00 0.00 O ATOM 1224 ND2 ASN A 77 -1.263 -3.692 11.070 1.00 0.00 N ATOM 0 H ASN A 77 1.128 -2.372 7.318 1.00 0.00 H new ATOM 0 HA ASN A 77 2.418 -1.622 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.618 -3.476 11.258 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.732 -1.967 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.114 -4.195 10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.185 -3.241 11.982 1.00 0.00 H new ATOM 1231 N VAL A 78 3.186 -3.590 7.721 1.00 0.00 N ATOM 1232 CA VAL A 78 3.997 -4.732 7.217 1.00 0.00 C ATOM 1233 C VAL A 78 5.386 -4.706 7.867 1.00 0.00 C ATOM 1234 O VAL A 78 6.328 -4.148 7.337 1.00 0.00 O ATOM 1235 CB VAL A 78 4.094 -4.651 5.678 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.431 -5.215 5.182 1.00 0.00 C ATOM 1237 CG2 VAL A 78 2.956 -5.471 5.070 1.00 0.00 C ATOM 0 H VAL A 78 3.134 -2.785 7.097 1.00 0.00 H new ATOM 0 HA VAL A 78 3.519 -5.675 7.481 1.00 0.00 H new ATOM 0 HB VAL A 78 4.023 -3.606 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.474 -5.146 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.251 -4.641 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.520 -6.259 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.013 -5.422 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.043 -6.509 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.999 -5.068 5.402 1.00 0.00 H new ATOM 1247 N ILE A 79 5.514 -5.321 9.013 1.00 0.00 N ATOM 1248 CA ILE A 79 6.831 -5.356 9.706 1.00 0.00 C ATOM 1249 C ILE A 79 6.651 -5.975 11.102 1.00 0.00 C ATOM 1250 O ILE A 79 5.717 -5.653 11.809 1.00 0.00 O ATOM 1251 CB ILE A 79 7.408 -3.927 9.790 1.00 0.00 C ATOM 1252 CG1 ILE A 79 8.839 -3.946 9.252 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.422 -3.406 11.235 1.00 0.00 C ATOM 1254 CD1 ILE A 79 8.985 -2.898 8.149 1.00 0.00 C ATOM 0 H ILE A 79 4.758 -5.802 9.500 1.00 0.00 H new ATOM 0 HA ILE A 79 7.537 -5.971 9.148 1.00 0.00 H new ATOM 0 HB ILE A 79 6.776 -3.264 9.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.544 -3.742 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.079 -4.935 8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.835 -2.397 11.254 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.405 -3.389 11.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.037 -4.061 11.852 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.005 -2.912 7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.291 -3.123 7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.763 -1.911 8.554 1.00 0.00 H new ATOM 1266 N PRO A 80 7.557 -6.850 11.444 1.00 0.00 N ATOM 1267 CA PRO A 80 7.466 -7.504 12.768 1.00 0.00 C ATOM 1268 C PRO A 80 7.123 -6.478 13.852 1.00 0.00 C ATOM 1269 O PRO A 80 7.874 -5.558 14.110 1.00 0.00 O ATOM 1270 CB PRO A 80 8.860 -8.089 13.001 1.00 0.00 C ATOM 1271 CG PRO A 80 9.822 -7.280 12.111 1.00 0.00 C ATOM 1272 CD PRO A 80 8.960 -6.617 11.023 1.00 0.00 C ATOM 0 HA PRO A 80 6.686 -8.264 12.804 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.144 -8.012 14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.886 -9.147 12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.353 -6.529 12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.576 -7.929 11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.176 -5.551 10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.156 -7.055 10.044 1.00 0.00 H new ATOM 1280 N GLU A 81 5.994 -6.632 14.491 1.00 0.00 N ATOM 1281 CA GLU A 81 5.607 -5.668 15.560 1.00 0.00 C ATOM 1282 C GLU A 81 6.810 -5.410 16.467 1.00 0.00 C ATOM 1283 O GLU A 81 7.627 -6.281 16.692 1.00 0.00 O ATOM 1284 CB GLU A 81 4.466 -6.259 16.392 1.00 0.00 C ATOM 1285 CG GLU A 81 4.941 -7.549 17.064 1.00 0.00 C ATOM 1286 CD GLU A 81 3.807 -8.575 17.062 1.00 0.00 C ATOM 1287 OE1 GLU A 81 3.000 -8.534 16.149 1.00 0.00 O ATOM 1288 OE2 GLU A 81 3.765 -9.384 17.974 1.00 0.00 O ATOM 0 H GLU A 81 5.325 -7.382 14.319 1.00 0.00 H new ATOM 0 HA GLU A 81 5.281 -4.733 15.106 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.142 -5.542 17.146 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.605 -6.463 15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.807 -7.948 16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.257 -7.343 18.087 1.00 0.00 H new ATOM 1295 N GLY A 82 6.927 -4.222 16.995 1.00 0.00 N ATOM 1296 CA GLY A 82 8.078 -3.917 17.891 1.00 0.00 C ATOM 1297 C GLY A 82 8.884 -2.754 17.315 1.00 0.00 C ATOM 1298 O GLY A 82 9.042 -1.726 17.944 1.00 0.00 O ATOM 0 H GLY A 82 6.276 -3.451 16.845 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.718 -3.664 18.888 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.714 -4.796 17.995 1.00 0.00 H new ATOM 1302 N GLY A 83 9.400 -2.907 16.127 1.00 0.00 N ATOM 1303 CA GLY A 83 10.198 -1.808 15.514 1.00 0.00 C ATOM 1304 C GLY A 83 9.319 -0.565 15.362 1.00 0.00 C ATOM 1305 O GLY A 83 8.694 -0.117 16.302 1.00 0.00 O ATOM 0 H GLY A 83 9.304 -3.745 15.554 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.063 -1.581 16.137 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.578 -2.119 14.541 1.00 0.00 H new ATOM 1309 N SER A 84 9.263 -0.005 14.186 1.00 0.00 N ATOM 1310 CA SER A 84 8.420 1.208 13.985 1.00 0.00 C ATOM 1311 C SER A 84 8.522 1.667 12.529 1.00 0.00 C ATOM 1312 O SER A 84 8.498 2.846 12.236 1.00 0.00 O ATOM 1313 CB SER A 84 8.909 2.324 14.909 1.00 0.00 C ATOM 1314 OG SER A 84 10.296 2.147 15.166 1.00 0.00 O ATOM 0 H SER A 84 9.762 -0.332 13.359 1.00 0.00 H new ATOM 0 HA SER A 84 7.381 0.972 14.217 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.734 3.296 14.448 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.349 2.309 15.844 1.00 0.00 H new ATOM 0 HG SER A 84 10.613 2.862 15.757 1.00 0.00 H new ATOM 1320 N GLN A 85 8.629 0.743 11.612 1.00 0.00 N ATOM 1321 CA GLN A 85 8.728 1.124 10.174 1.00 0.00 C ATOM 1322 C GLN A 85 7.701 0.325 9.364 1.00 0.00 C ATOM 1323 O GLN A 85 8.059 -0.560 8.617 1.00 0.00 O ATOM 1324 CB GLN A 85 10.134 0.809 9.661 1.00 0.00 C ATOM 1325 CG GLN A 85 11.152 1.042 10.780 1.00 0.00 C ATOM 1326 CD GLN A 85 12.564 0.796 10.244 1.00 0.00 C ATOM 1327 OE1 GLN A 85 13.039 1.520 9.392 1.00 0.00 O ATOM 1328 NE2 GLN A 85 13.260 -0.204 10.712 1.00 0.00 N ATOM 0 H GLN A 85 8.652 -0.260 11.797 1.00 0.00 H new ATOM 0 HA GLN A 85 8.530 2.190 10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.184 -0.225 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.369 1.440 8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.067 2.061 11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.948 0.374 11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.862 -0.812 11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.202 -0.377 10.362 1.00 0.00 H new ATOM 1337 N PRO A 86 6.453 0.666 9.544 1.00 0.00 N ATOM 1338 CA PRO A 86 5.398 -0.064 8.804 1.00 0.00 C ATOM 1339 C PRO A 86 4.923 0.741 7.591 1.00 0.00 C ATOM 1340 O PRO A 86 5.477 1.769 7.257 1.00 0.00 O ATOM 1341 CB PRO A 86 4.257 -0.205 9.810 1.00 0.00 C ATOM 1342 CG PRO A 86 4.456 0.912 10.850 1.00 0.00 C ATOM 1343 CD PRO A 86 5.925 1.347 10.752 1.00 0.00 C ATOM 0 HA PRO A 86 5.755 -1.022 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.290 -0.109 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.276 -1.186 10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.789 1.751 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.224 0.553 11.853 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.010 2.430 10.662 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.482 1.057 11.643 1.00 0.00 H new ATOM 1351 N LEU A 87 3.873 0.294 6.954 1.00 0.00 N ATOM 1352 CA LEU A 87 3.333 1.050 5.788 1.00 0.00 C ATOM 1353 C LEU A 87 1.927 1.527 6.131 1.00 0.00 C ATOM 1354 O LEU A 87 1.015 0.738 6.281 1.00 0.00 O ATOM 1355 CB LEU A 87 3.253 0.189 4.510 1.00 0.00 C ATOM 1356 CG LEU A 87 3.559 -1.286 4.789 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.640 -2.159 3.930 1.00 0.00 C ATOM 1358 CD2 LEU A 87 5.014 -1.575 4.421 1.00 0.00 C ATOM 0 H LEU A 87 3.368 -0.560 7.191 1.00 0.00 H new ATOM 0 HA LEU A 87 4.010 1.881 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.257 0.276 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.957 0.571 3.771 1.00 0.00 H new ATOM 0 HG LEU A 87 3.396 -1.504 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.852 -3.211 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.600 -1.947 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.813 -1.942 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.238 -2.624 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.171 -1.363 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.673 -0.945 5.019 1.00 0.00 H new ATOM 1370 N SER A 88 1.735 2.806 6.246 1.00 0.00 N ATOM 1371 CA SER A 88 0.377 3.311 6.565 1.00 0.00 C ATOM 1372 C SER A 88 -0.438 3.276 5.278 1.00 0.00 C ATOM 1373 O SER A 88 -0.270 4.098 4.401 1.00 0.00 O ATOM 1374 CB SER A 88 0.465 4.745 7.090 1.00 0.00 C ATOM 1375 OG SER A 88 -0.686 5.030 7.875 1.00 0.00 O ATOM 0 H SER A 88 2.454 3.520 6.134 1.00 0.00 H new ATOM 0 HA SER A 88 -0.092 2.696 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.367 4.871 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.534 5.445 6.258 1.00 0.00 H new ATOM 0 HG SER A 88 -0.632 5.948 8.214 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.289 2.297 5.152 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.095 2.148 3.907 1.00 0.00 C ATOM 1383 C VAL A 89 -3.275 3.121 3.881 1.00 0.00 C ATOM 1384 O VAL A 89 -3.776 3.554 4.901 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.619 0.714 3.823 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.453 -0.243 3.572 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.310 0.338 5.130 1.00 0.00 C ATOM 0 H VAL A 89 -1.463 1.587 5.864 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.454 2.373 3.054 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.334 0.642 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.827 -1.265 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.963 0.019 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.737 -0.166 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.681 -0.685 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.599 0.414 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.144 1.016 5.309 1.00 0.00 H new ATOM 1397 N ARG A 90 -3.710 3.458 2.696 1.00 0.00 N ATOM 1398 CA ARG A 90 -4.850 4.401 2.519 1.00 0.00 C ATOM 1399 C ARG A 90 -4.990 4.685 1.023 1.00 0.00 C ATOM 1400 O ARG A 90 -4.122 5.277 0.413 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.559 5.710 3.262 1.00 0.00 C ATOM 1402 CG ARG A 90 -5.849 6.518 3.409 1.00 0.00 C ATOM 1403 CD ARG A 90 -5.615 7.946 2.912 1.00 0.00 C ATOM 1404 NE ARG A 90 -4.560 8.594 3.741 1.00 0.00 N ATOM 1405 CZ ARG A 90 -4.858 9.095 4.911 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -6.072 8.988 5.380 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -3.939 9.704 5.611 1.00 0.00 N ATOM 0 H ARG A 90 -3.312 3.110 1.824 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.768 3.969 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.139 5.496 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.815 6.291 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.651 6.050 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.165 6.532 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.313 7.933 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.541 8.519 2.970 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.602 8.647 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.790 8.513 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.302 9.380 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.991 9.788 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.169 10.096 6.524 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.060 4.255 0.417 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.225 4.499 -1.042 1.00 0.00 C ATOM 1423 C LEU A 91 -6.029 5.994 -1.323 1.00 0.00 C ATOM 1424 O LEU A 91 -6.523 6.841 -0.605 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.629 4.054 -1.480 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.056 4.812 -2.743 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -7.086 4.494 -3.882 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -9.469 4.386 -3.140 1.00 0.00 C ATOM 0 H LEU A 91 -6.823 3.748 0.865 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.485 3.928 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.635 2.981 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.343 4.238 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.043 5.884 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.390 5.033 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.079 4.800 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.097 3.422 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.773 4.925 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.484 3.314 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.160 4.615 -2.328 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.313 6.322 -2.363 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.087 7.758 -2.689 1.00 0.00 C ATOM 1442 C ALA A 92 -5.322 7.986 -4.184 1.00 0.00 C ATOM 1443 O ALA A 92 -5.035 7.136 -5.004 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.649 8.143 -2.334 1.00 0.00 C ATOM 0 H ALA A 92 -4.875 5.658 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.780 8.373 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.484 9.194 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.482 7.982 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.956 7.528 -2.907 1.00 0.00 H new ATOM 1450 N GLU A 93 -5.843 9.127 -4.545 1.00 0.00 N ATOM 1451 CA GLU A 93 -6.099 9.412 -5.985 1.00 0.00 C ATOM 1452 C GLU A 93 -4.796 9.848 -6.661 1.00 0.00 C ATOM 1453 O GLU A 93 -3.998 10.562 -6.087 1.00 0.00 O ATOM 1454 CB GLU A 93 -7.137 10.530 -6.103 1.00 0.00 C ATOM 1455 CG GLU A 93 -6.553 11.829 -5.543 1.00 0.00 C ATOM 1456 CD GLU A 93 -7.681 12.699 -4.983 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -8.347 13.349 -5.772 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -7.860 12.698 -3.776 1.00 0.00 O ATOM 0 H GLU A 93 -6.103 9.876 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.475 8.513 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.423 10.667 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.041 10.260 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.829 11.606 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.019 12.367 -6.326 1.00 0.00 H new ATOM 1465 N GLU A 94 -4.576 9.424 -7.877 1.00 0.00 N ATOM 1466 CA GLU A 94 -3.325 9.815 -8.589 1.00 0.00 C ATOM 1467 C GLU A 94 -3.315 9.195 -9.987 1.00 0.00 C ATOM 1468 O GLU A 94 -3.190 9.882 -10.982 1.00 0.00 O ATOM 1469 CB GLU A 94 -2.113 9.317 -7.801 1.00 0.00 C ATOM 1470 CG GLU A 94 -0.918 10.235 -8.067 1.00 0.00 C ATOM 1471 CD GLU A 94 -1.186 11.614 -7.463 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -1.922 11.680 -6.493 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -0.653 12.581 -7.982 1.00 0.00 O ATOM 0 H GLU A 94 -5.208 8.824 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.282 10.901 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.341 9.299 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.872 8.295 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.014 9.807 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.746 10.324 -9.140 1.00 0.00 H new ATOM 1480 N HIS A 95 -3.443 7.901 -10.070 1.00 0.00 N ATOM 1481 CA HIS A 95 -3.440 7.235 -11.404 1.00 0.00 C ATOM 1482 C HIS A 95 -4.092 5.854 -11.292 1.00 0.00 C ATOM 1483 O HIS A 95 -5.276 5.696 -11.512 1.00 0.00 O ATOM 1484 CB HIS A 95 -1.997 7.081 -11.892 1.00 0.00 C ATOM 1485 CG HIS A 95 -1.978 6.253 -13.146 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -1.203 5.110 -13.267 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -2.635 6.387 -14.344 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -1.410 4.607 -14.497 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -2.275 5.347 -15.196 1.00 0.00 N ATOM 0 H HIS A 95 -3.550 7.274 -9.272 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.002 7.842 -12.113 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.560 8.061 -12.084 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.390 6.607 -11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.327 7.180 -14.588 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.935 3.713 -14.874 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.601 5.185 -16.149 1.00 0.00 H new ATOM 1497 N GLY A 96 -3.328 4.850 -10.953 1.00 0.00 N ATOM 1498 CA GLY A 96 -3.909 3.482 -10.831 1.00 0.00 C ATOM 1499 C GLY A 96 -2.793 2.441 -10.934 1.00 0.00 C ATOM 1500 O GLY A 96 -1.899 2.393 -10.111 1.00 0.00 O ATOM 0 H GLY A 96 -2.330 4.918 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.429 3.380 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.647 3.318 -11.616 1.00 0.00 H new ATOM 1504 N LYS A 97 -2.836 1.605 -11.936 1.00 0.00 N ATOM 1505 CA LYS A 97 -1.776 0.569 -12.087 1.00 0.00 C ATOM 1506 C LYS A 97 -0.887 0.914 -13.284 1.00 0.00 C ATOM 1507 O LYS A 97 -1.380 1.554 -14.198 1.00 0.00 O ATOM 1508 CB LYS A 97 -2.422 -0.801 -12.307 1.00 0.00 C ATOM 1509 CG LYS A 97 -3.011 -0.871 -13.718 1.00 0.00 C ATOM 1510 CD LYS A 97 -2.007 -1.537 -14.661 1.00 0.00 C ATOM 1511 CE LYS A 97 -2.344 -3.021 -14.805 1.00 0.00 C ATOM 1512 NZ LYS A 97 -1.326 -3.681 -15.672 1.00 0.00 N ATOM 1513 OXT LYS A 97 0.272 0.535 -13.264 1.00 0.00 O ATOM 0 H LYS A 97 -3.559 1.595 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.169 0.541 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.681 -1.589 -12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.204 -0.968 -11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.944 -1.435 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.249 0.131 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.032 -1.052 -15.637 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.995 -1.420 -14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.365 -3.497 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.337 -3.139 -15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.555 -4.691 -15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.327 -3.233 -16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.385 -3.580 -15.241 1.00 0.00 H new