USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 180:sc= 0.943 USER MOD Set 1.2: A 70 SER OG : rot 81:sc= 1.1 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.0607 X(o=0.63,f=0.65) USER MOD Set 2.2: A 14 ASN : amide:sc= 1.46 K(o=0.63,f=-0.16) USER MOD Set 2.3: A 26 GLN : amide:sc= -0.77 K(o=0.63,f=1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.54) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= 1.19 (180deg=-0.375) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 179:sc= 0 (180deg=-0.00281) USER MOD Single : A 40 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.7!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 71:sc= 0.144 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -157:sc= -0.102 (180deg=-1.07) USER MOD Single : A 51 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.22) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -172:sc= 0 (180deg=-0.17) USER MOD Single : A 78 THR OG1 : rot 41:sc= 0.35 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 84 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 15.625 -10.207 -3.944 1.00 0.00 N ATOM 146 CA GLU A 11 14.649 -10.446 -2.889 1.00 0.00 C ATOM 147 C GLU A 11 13.399 -9.543 -3.010 1.00 0.00 C ATOM 148 O GLU A 11 13.475 -8.311 -3.081 1.00 0.00 O ATOM 149 CB GLU A 11 15.400 -10.262 -1.543 1.00 0.00 C ATOM 150 CG GLU A 11 14.587 -10.388 -0.230 1.00 0.00 C ATOM 151 CD GLU A 11 14.003 -11.759 0.092 1.00 0.00 C ATOM 152 OE1 GLU A 11 14.724 -12.777 -0.030 1.00 0.00 O ATOM 153 OE2 GLU A 11 12.825 -11.798 0.538 1.00 0.00 O ATOM 0 HA GLU A 11 14.246 -11.456 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.206 -10.995 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.866 -9.277 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.231 -10.091 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.767 -9.671 -0.269 1.00 0.00 H new ATOM 160 N HIS A 12 12.189 -10.143 -3.108 1.00 0.00 N ATOM 161 CA HIS A 12 10.971 -9.409 -3.422 1.00 0.00 C ATOM 162 C HIS A 12 9.758 -10.103 -2.819 1.00 0.00 C ATOM 163 O HIS A 12 9.797 -11.297 -2.536 1.00 0.00 O ATOM 164 CB HIS A 12 10.801 -9.169 -4.961 1.00 0.00 C ATOM 165 CG HIS A 12 9.888 -10.081 -5.756 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.510 -9.994 -5.725 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.175 -11.031 -6.689 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.034 -10.892 -6.618 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.003 -11.534 -7.237 1.00 0.00 N ATOM 0 H HIS A 12 12.045 -11.143 -2.970 1.00 0.00 H new ATOM 0 HA HIS A 12 11.056 -8.421 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.443 -8.148 -5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.792 -9.222 -5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.171 -11.347 -6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.983 -11.062 -6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.912 -12.246 -7.962 1.00 0.00 H new ATOM 177 N ILE A 13 8.641 -9.369 -2.612 1.00 0.00 N ATOM 178 CA ILE A 13 7.366 -9.965 -2.216 1.00 0.00 C ATOM 179 C ILE A 13 6.240 -9.328 -3.011 1.00 0.00 C ATOM 180 O ILE A 13 6.427 -8.283 -3.632 1.00 0.00 O ATOM 181 CB ILE A 13 7.048 -9.856 -0.719 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.069 -8.398 -0.203 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.028 -10.761 0.056 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.583 -8.264 1.246 1.00 0.00 C ATOM 0 H ILE A 13 8.608 -8.355 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 13 7.457 -11.030 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 13 6.026 -10.196 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.084 -8.008 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.443 -7.782 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.817 -10.696 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.910 -11.793 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.051 -10.434 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.622 -7.217 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.557 -8.625 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.224 -8.854 1.901 1.00 0.00 H new ATOM 196 N ASN A 14 5.043 -9.947 -3.041 1.00 0.00 N ATOM 197 CA ASN A 14 3.835 -9.319 -3.554 1.00 0.00 C ATOM 198 C ASN A 14 2.906 -8.886 -2.431 1.00 0.00 C ATOM 199 O ASN A 14 2.850 -9.487 -1.362 1.00 0.00 O ATOM 200 CB ASN A 14 3.010 -10.250 -4.476 1.00 0.00 C ATOM 201 CG ASN A 14 3.726 -10.547 -5.789 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.403 -9.958 -6.823 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.686 -11.493 -5.781 1.00 0.00 N ATOM 0 H ASN A 14 4.899 -10.900 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 14 4.195 -8.461 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.807 -11.186 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.046 -9.787 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.167 -11.739 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.932 -11.963 -4.910 1.00 0.00 H new ATOM 210 N LEU A 15 2.127 -7.817 -2.685 1.00 0.00 N ATOM 211 CA LEU A 15 1.024 -7.389 -1.840 1.00 0.00 C ATOM 212 C LEU A 15 -0.257 -7.464 -2.664 1.00 0.00 C ATOM 213 O LEU A 15 -0.268 -7.149 -3.854 1.00 0.00 O ATOM 214 CB LEU A 15 1.167 -5.924 -1.337 1.00 0.00 C ATOM 215 CG LEU A 15 2.098 -5.697 -0.126 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.587 -5.928 -0.422 1.00 0.00 C ATOM 217 CD2 LEU A 15 1.900 -4.279 0.430 1.00 0.00 C ATOM 0 H LEU A 15 2.260 -7.223 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 15 1.012 -8.043 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.529 -5.313 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.175 -5.554 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 15 1.813 -6.447 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.170 -5.747 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.737 -6.956 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.912 -5.245 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.560 -4.127 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.135 -3.549 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.864 -4.153 0.746 1.00 0.00 H new ATOM 229 N LYS A 16 -1.375 -7.869 -2.031 1.00 0.00 N ATOM 230 CA LYS A 16 -2.715 -7.747 -2.564 1.00 0.00 C ATOM 231 C LYS A 16 -3.432 -6.589 -1.890 1.00 0.00 C ATOM 232 O LYS A 16 -3.402 -6.434 -0.672 1.00 0.00 O ATOM 233 CB LYS A 16 -3.577 -9.011 -2.324 1.00 0.00 C ATOM 234 CG LYS A 16 -3.082 -10.268 -3.053 1.00 0.00 C ATOM 235 CD LYS A 16 -4.121 -11.401 -2.977 1.00 0.00 C ATOM 236 CE LYS A 16 -3.736 -12.640 -3.790 1.00 0.00 C ATOM 237 NZ LYS A 16 -4.851 -13.598 -3.804 1.00 0.00 N ATOM 0 H LYS A 16 -1.353 -8.301 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.601 -7.593 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.608 -9.216 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.600 -8.803 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.876 -10.029 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.143 -10.602 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.257 -11.689 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.081 -11.027 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.481 -12.351 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.850 -13.107 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.582 -14.436 -4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.075 -13.884 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.686 -13.152 -4.235 1.00 0.00 H new ATOM 251 N VAL A 17 -4.122 -5.755 -2.685 1.00 0.00 N ATOM 252 CA VAL A 17 -4.908 -4.640 -2.192 1.00 0.00 C ATOM 253 C VAL A 17 -6.379 -4.973 -2.344 1.00 0.00 C ATOM 254 O VAL A 17 -6.904 -5.097 -3.453 1.00 0.00 O ATOM 255 CB VAL A 17 -4.601 -3.355 -2.945 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.421 -2.187 -2.369 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.099 -3.050 -2.820 1.00 0.00 C ATOM 0 H VAL A 17 -4.142 -5.848 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.654 -4.479 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.868 -3.479 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.190 -1.274 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.484 -2.408 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.170 -2.050 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.869 -2.130 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.838 -2.931 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.524 -3.872 -3.246 1.00 0.00 H new ATOM 267 N LEU A 18 -7.094 -5.128 -1.218 1.00 0.00 N ATOM 268 CA LEU A 18 -8.507 -5.440 -1.217 1.00 0.00 C ATOM 269 C LEU A 18 -9.312 -4.148 -1.274 1.00 0.00 C ATOM 270 O LEU A 18 -9.615 -3.525 -0.258 1.00 0.00 O ATOM 271 CB LEU A 18 -8.928 -6.279 0.020 1.00 0.00 C ATOM 272 CG LEU A 18 -8.439 -7.748 0.034 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.952 -7.901 0.397 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.275 -8.568 1.028 1.00 0.00 C ATOM 0 H LEU A 18 -6.693 -5.037 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.712 -6.048 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.555 -5.783 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.016 -6.277 0.084 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.563 -8.116 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.682 -8.957 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.343 -7.363 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.776 -7.491 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.925 -9.600 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.170 -8.145 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.323 -8.541 0.731 1.00 0.00 H new ATOM 286 N GLY A 19 -9.676 -3.705 -2.499 1.00 0.00 N ATOM 287 CA GLY A 19 -10.518 -2.532 -2.716 1.00 0.00 C ATOM 288 C GLY A 19 -11.973 -2.847 -2.505 1.00 0.00 C ATOM 289 O GLY A 19 -12.538 -3.726 -3.151 1.00 0.00 O ATOM 0 H GLY A 19 -9.386 -4.163 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.215 -1.736 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.369 -2.159 -3.729 1.00 0.00 H new ATOM 293 N GLN A 20 -12.634 -2.138 -1.570 1.00 0.00 N ATOM 294 CA GLN A 20 -13.981 -2.467 -1.128 1.00 0.00 C ATOM 295 C GLN A 20 -15.095 -2.274 -2.163 1.00 0.00 C ATOM 296 O GLN A 20 -16.166 -2.870 -2.058 1.00 0.00 O ATOM 297 CB GLN A 20 -14.289 -1.724 0.195 1.00 0.00 C ATOM 298 CG GLN A 20 -15.487 -2.322 0.969 1.00 0.00 C ATOM 299 CD GLN A 20 -15.507 -1.856 2.422 1.00 0.00 C ATOM 300 OE1 GLN A 20 -14.476 -1.847 3.101 1.00 0.00 O ATOM 301 NE2 GLN A 20 -16.701 -1.512 2.947 1.00 0.00 N ATOM 0 H GLN A 20 -12.238 -1.321 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.981 -3.545 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.405 -1.749 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.494 -0.676 -0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.417 -2.032 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.435 -3.410 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.538 -1.528 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.767 -1.236 3.927 1.00 0.00 H new ATOM 310 N ASP A 21 -14.848 -1.502 -3.242 1.00 0.00 N ATOM 311 CA ASP A 21 -15.733 -1.392 -4.390 1.00 0.00 C ATOM 312 C ASP A 21 -15.556 -2.545 -5.392 1.00 0.00 C ATOM 313 O ASP A 21 -16.082 -2.526 -6.507 1.00 0.00 O ATOM 314 CB ASP A 21 -15.573 0.000 -5.069 1.00 0.00 C ATOM 315 CG ASP A 21 -14.187 0.333 -5.596 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.191 -0.368 -5.297 1.00 0.00 O ATOM 317 OD2 ASP A 21 -14.101 1.359 -6.327 1.00 0.00 O ATOM 0 H ASP A 21 -14.007 -0.931 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.755 -1.477 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.278 0.060 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.860 0.767 -4.350 1.00 0.00 H new ATOM 322 N ASN A 22 -14.799 -3.587 -4.982 1.00 0.00 N ATOM 323 CA ASN A 22 -14.493 -4.820 -5.686 1.00 0.00 C ATOM 324 C ASN A 22 -13.378 -4.650 -6.708 1.00 0.00 C ATOM 325 O ASN A 22 -13.051 -5.576 -7.452 1.00 0.00 O ATOM 326 CB ASN A 22 -15.724 -5.561 -6.283 1.00 0.00 C ATOM 327 CG ASN A 22 -16.789 -5.795 -5.219 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.893 -5.242 -5.271 1.00 0.00 O ATOM 329 ND2 ASN A 22 -16.491 -6.668 -4.230 1.00 0.00 N ATOM 0 H ASN A 22 -14.353 -3.569 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.124 -5.484 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.144 -4.975 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.409 -6.516 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.183 -6.880 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.575 -7.115 -4.203 1.00 0.00 H new ATOM 336 N ALA A 23 -12.719 -3.475 -6.736 1.00 0.00 N ATOM 337 CA ALA A 23 -11.586 -3.202 -7.593 1.00 0.00 C ATOM 338 C ALA A 23 -10.269 -3.679 -6.981 1.00 0.00 C ATOM 339 O ALA A 23 -9.402 -2.899 -6.577 1.00 0.00 O ATOM 340 CB ALA A 23 -11.536 -1.696 -7.872 1.00 0.00 C ATOM 0 H ALA A 23 -12.977 -2.684 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.713 -3.755 -8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.686 -1.474 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.457 -1.387 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.429 -1.155 -6.932 1.00 0.00 H new ATOM 346 N VAL A 24 -10.097 -5.013 -6.914 1.00 0.00 N ATOM 347 CA VAL A 24 -8.956 -5.686 -6.318 1.00 0.00 C ATOM 348 C VAL A 24 -7.746 -5.648 -7.245 1.00 0.00 C ATOM 349 O VAL A 24 -7.853 -5.857 -8.457 1.00 0.00 O ATOM 350 CB VAL A 24 -9.309 -7.132 -5.960 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.142 -7.844 -5.245 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.557 -7.143 -5.050 1.00 0.00 C ATOM 0 H VAL A 24 -10.783 -5.666 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.696 -5.154 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.511 -7.670 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.431 -8.868 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.269 -7.856 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.900 -7.312 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.811 -8.171 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.348 -6.583 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.394 -6.683 -5.575 1.00 0.00 H new ATOM 362 N VAL A 25 -6.544 -5.362 -6.711 1.00 0.00 N ATOM 363 CA VAL A 25 -5.324 -5.283 -7.497 1.00 0.00 C ATOM 364 C VAL A 25 -4.181 -5.890 -6.696 1.00 0.00 C ATOM 365 O VAL A 25 -4.263 -6.036 -5.475 1.00 0.00 O ATOM 366 CB VAL A 25 -5.049 -3.848 -7.962 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.728 -2.909 -6.781 1.00 0.00 C ATOM 368 CG2 VAL A 25 -3.959 -3.784 -9.053 1.00 0.00 C ATOM 0 H VAL A 25 -6.404 -5.180 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.433 -5.862 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.972 -3.489 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.540 -1.903 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.573 -2.887 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.844 -3.272 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.801 -2.747 -9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.029 -4.196 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.277 -4.364 -9.919 1.00 0.00 H new ATOM 378 N GLN A 26 -3.081 -6.312 -7.345 1.00 0.00 N ATOM 379 CA GLN A 26 -1.926 -6.834 -6.647 1.00 0.00 C ATOM 380 C GLN A 26 -0.659 -6.436 -7.376 1.00 0.00 C ATOM 381 O GLN A 26 -0.666 -6.216 -8.589 1.00 0.00 O ATOM 382 CB GLN A 26 -1.998 -8.375 -6.469 1.00 0.00 C ATOM 383 CG GLN A 26 -1.859 -9.218 -7.767 1.00 0.00 C ATOM 384 CD GLN A 26 -0.610 -10.109 -7.783 1.00 0.00 C ATOM 385 OE1 GLN A 26 -0.707 -11.322 -7.959 1.00 0.00 O ATOM 386 NE2 GLN A 26 0.584 -9.503 -7.604 1.00 0.00 N ATOM 0 H GLN A 26 -2.982 -6.295 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.916 -6.400 -5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.212 -8.678 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.950 -8.622 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.744 -9.844 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.829 -8.547 -8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.627 -8.494 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.442 -10.054 -7.612 1.00 0.00 H new ATOM 395 N PHE A 27 0.470 -6.337 -6.656 1.00 0.00 N ATOM 396 CA PHE A 27 1.720 -5.883 -7.239 1.00 0.00 C ATOM 397 C PHE A 27 2.916 -6.437 -6.489 1.00 0.00 C ATOM 398 O PHE A 27 2.836 -6.753 -5.301 1.00 0.00 O ATOM 399 CB PHE A 27 1.808 -4.329 -7.328 1.00 0.00 C ATOM 400 CG PHE A 27 1.257 -3.636 -6.102 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.929 -3.671 -4.868 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.038 -2.942 -6.187 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.385 -3.043 -3.739 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.499 -2.297 -5.067 1.00 0.00 C ATOM 405 CZ PHE A 27 0.172 -2.354 -3.841 1.00 0.00 C ATOM 0 H PHE A 27 0.531 -6.569 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 27 1.739 -6.270 -8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.849 -4.037 -7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.261 -3.989 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.874 -4.187 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.491 -2.906 -7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.902 -3.091 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.430 -1.756 -5.149 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.246 -1.866 -2.973 1.00 0.00 H new ATOM 415 N LYS A 28 4.073 -6.557 -7.173 1.00 0.00 N ATOM 416 CA LYS A 28 5.324 -6.964 -6.563 1.00 0.00 C ATOM 417 C LYS A 28 6.180 -5.769 -6.180 1.00 0.00 C ATOM 418 O LYS A 28 6.383 -4.831 -6.954 1.00 0.00 O ATOM 419 CB LYS A 28 6.131 -7.976 -7.419 1.00 0.00 C ATOM 420 CG LYS A 28 6.160 -7.753 -8.941 1.00 0.00 C ATOM 421 CD LYS A 28 6.950 -8.877 -9.643 1.00 0.00 C ATOM 422 CE LYS A 28 6.560 -9.115 -11.110 1.00 0.00 C ATOM 423 NZ LYS A 28 7.298 -10.261 -11.661 1.00 0.00 N ATOM 0 H LYS A 28 4.149 -6.369 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 28 5.044 -7.490 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.160 -7.976 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.728 -8.971 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.142 -7.721 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.616 -6.788 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.013 -8.639 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.807 -9.804 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.488 -9.297 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.772 -8.222 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.022 -10.407 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.320 -10.073 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.075 -11.115 -11.110 1.00 0.00 H new ATOM 437 N ILE A 29 6.707 -5.777 -4.941 1.00 0.00 N ATOM 438 CA ILE A 29 7.583 -4.751 -4.408 1.00 0.00 C ATOM 439 C ILE A 29 8.975 -5.333 -4.205 1.00 0.00 C ATOM 440 O ILE A 29 9.159 -6.500 -3.854 1.00 0.00 O ATOM 441 CB ILE A 29 7.032 -4.111 -3.129 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.837 -2.851 -2.708 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.928 -5.150 -1.989 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.192 -2.049 -1.571 1.00 0.00 C ATOM 0 H ILE A 29 6.521 -6.526 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 29 7.642 -3.939 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 29 6.022 -3.764 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.837 -3.157 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.955 -2.201 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.534 -4.669 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.260 -5.956 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.916 -5.558 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.815 -1.186 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.203 -1.710 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.099 -2.681 -0.688 1.00 0.00 H new ATOM 456 N LYS A 30 10.019 -4.515 -4.438 1.00 0.00 N ATOM 457 CA LYS A 30 11.407 -4.865 -4.227 1.00 0.00 C ATOM 458 C LYS A 30 11.712 -4.718 -2.738 1.00 0.00 C ATOM 459 O LYS A 30 11.431 -3.681 -2.147 1.00 0.00 O ATOM 460 CB LYS A 30 12.269 -3.896 -5.072 1.00 0.00 C ATOM 461 CG LYS A 30 13.660 -4.400 -5.479 1.00 0.00 C ATOM 462 CD LYS A 30 13.608 -5.554 -6.501 1.00 0.00 C ATOM 463 CE LYS A 30 14.832 -5.614 -7.430 1.00 0.00 C ATOM 464 NZ LYS A 30 14.750 -4.596 -8.495 1.00 0.00 N ATOM 0 H LYS A 30 9.899 -3.565 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 30 11.622 -5.890 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.716 -3.649 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.392 -2.970 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.231 -3.573 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.194 -4.734 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.524 -6.499 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.708 -5.450 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.741 -5.461 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.903 -6.606 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.590 -4.663 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.895 -4.758 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.707 -3.649 -8.067 1.00 0.00 H new ATOM 478 N LYS A 31 12.237 -5.751 -2.050 1.00 0.00 N ATOM 479 CA LYS A 31 12.062 -5.826 -0.602 1.00 0.00 C ATOM 480 C LYS A 31 12.930 -4.886 0.236 1.00 0.00 C ATOM 481 O LYS A 31 12.727 -4.740 1.437 1.00 0.00 O ATOM 482 CB LYS A 31 12.221 -7.282 -0.129 1.00 0.00 C ATOM 483 CG LYS A 31 11.402 -7.679 1.116 1.00 0.00 C ATOM 484 CD LYS A 31 11.529 -9.196 1.301 1.00 0.00 C ATOM 485 CE LYS A 31 10.723 -9.882 2.403 1.00 0.00 C ATOM 486 NZ LYS A 31 10.888 -11.341 2.234 1.00 0.00 N ATOM 0 H LYS A 31 12.767 -6.517 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 31 11.048 -5.467 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.942 -7.943 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.275 -7.462 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.771 -7.155 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.357 -7.396 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.258 -9.666 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.581 -9.418 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.074 -9.568 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.671 -9.605 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.803 -11.809 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.152 -11.702 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.826 -11.540 1.831 1.00 0.00 H new ATOM 500 N HIS A 32 13.890 -4.171 -0.381 1.00 0.00 N ATOM 501 CA HIS A 32 14.592 -3.065 0.254 1.00 0.00 C ATOM 502 C HIS A 32 13.696 -1.863 0.535 1.00 0.00 C ATOM 503 O HIS A 32 13.729 -1.295 1.625 1.00 0.00 O ATOM 504 CB HIS A 32 15.753 -2.531 -0.623 1.00 0.00 C ATOM 505 CG HIS A 32 16.930 -3.446 -0.755 1.00 0.00 C ATOM 506 ND1 HIS A 32 18.024 -3.114 -1.524 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.244 -4.626 -0.146 1.00 0.00 C ATOM 508 CE1 HIS A 32 18.940 -4.099 -1.354 1.00 0.00 C ATOM 509 NE2 HIS A 32 18.515 -5.032 -0.523 1.00 0.00 N ATOM 0 H HIS A 32 14.194 -4.354 -1.337 1.00 0.00 H new ATOM 0 HA HIS A 32 14.958 -3.491 1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.365 -2.319 -1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.095 -1.584 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.597 -5.165 0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 32 19.904 -4.118 -1.841 1.00 0.00 H new ATOM 0 HE2 HIS A 32 19.013 -5.870 -0.223 1.00 0.00 H new ATOM 517 N THR A 33 12.895 -1.431 -0.460 1.00 0.00 N ATOM 518 CA THR A 33 12.256 -0.117 -0.470 1.00 0.00 C ATOM 519 C THR A 33 11.081 0.004 0.496 1.00 0.00 C ATOM 520 O THR A 33 10.292 -0.938 0.600 1.00 0.00 O ATOM 521 CB THR A 33 11.730 0.286 -1.850 1.00 0.00 C ATOM 522 OG1 THR A 33 10.940 -0.741 -2.438 1.00 0.00 O ATOM 523 CG2 THR A 33 12.911 0.523 -2.800 1.00 0.00 C ATOM 0 H THR A 33 12.677 -1.995 -1.281 1.00 0.00 H new ATOM 0 HA THR A 33 13.062 0.547 -0.158 1.00 0.00 H new ATOM 0 HB THR A 33 11.127 1.183 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.621 -0.446 -3.317 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.536 0.810 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.541 1.320 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.496 -0.392 -2.888 1.00 0.00 H new ATOM 531 N PRO A 34 10.877 1.124 1.203 1.00 0.00 N ATOM 532 CA PRO A 34 9.645 1.368 1.947 1.00 0.00 C ATOM 533 C PRO A 34 8.476 1.642 1.012 1.00 0.00 C ATOM 534 O PRO A 34 8.651 1.759 -0.201 1.00 0.00 O ATOM 535 CB PRO A 34 9.998 2.606 2.788 1.00 0.00 C ATOM 536 CG PRO A 34 10.955 3.399 1.894 1.00 0.00 C ATOM 537 CD PRO A 34 11.762 2.299 1.203 1.00 0.00 C ATOM 0 HA PRO A 34 9.327 0.516 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.110 3.187 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.470 2.327 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.418 4.019 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.593 4.065 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.035 2.588 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.690 2.095 1.737 1.00 0.00 H new ATOM 545 N LEU A 35 7.250 1.736 1.554 1.00 0.00 N ATOM 546 CA LEU A 35 6.039 1.673 0.758 1.00 0.00 C ATOM 547 C LEU A 35 5.760 2.947 -0.037 1.00 0.00 C ATOM 548 O LEU A 35 5.154 2.889 -1.105 1.00 0.00 O ATOM 549 CB LEU A 35 4.797 1.332 1.628 1.00 0.00 C ATOM 550 CG LEU A 35 4.772 -0.053 2.328 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.945 -1.214 1.336 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.746 -0.199 3.510 1.00 0.00 C ATOM 0 H LEU A 35 7.084 1.857 2.553 1.00 0.00 H new ATOM 0 HA LEU A 35 6.218 0.871 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.704 2.099 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.912 1.405 0.995 1.00 0.00 H new ATOM 0 HG LEU A 35 3.772 -0.108 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.920 -2.161 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.136 -1.192 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.901 -1.114 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.656 -1.199 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.767 -0.043 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.506 0.541 4.273 1.00 0.00 H new ATOM 564 N ARG A 36 6.212 4.122 0.450 1.00 0.00 N ATOM 565 CA ARG A 36 5.906 5.446 -0.083 1.00 0.00 C ATOM 566 C ARG A 36 6.047 5.646 -1.593 1.00 0.00 C ATOM 567 O ARG A 36 5.153 6.182 -2.249 1.00 0.00 O ATOM 568 CB ARG A 36 6.736 6.527 0.648 1.00 0.00 C ATOM 569 CG ARG A 36 6.235 7.955 0.349 1.00 0.00 C ATOM 570 CD ARG A 36 6.865 9.037 1.226 1.00 0.00 C ATOM 571 NE ARG A 36 6.235 10.338 0.825 1.00 0.00 N ATOM 572 CZ ARG A 36 5.166 10.863 1.430 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.480 10.245 2.380 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.729 12.062 1.065 1.00 0.00 N ATOM 0 H ARG A 36 6.827 4.164 1.262 1.00 0.00 H new ATOM 0 HA ARG A 36 4.837 5.545 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.695 6.348 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.781 6.442 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.437 8.187 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.153 7.983 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.689 8.831 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.945 9.070 1.084 1.00 0.00 H new ATOM 0 HE ARG A 36 6.647 10.851 0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.760 9.314 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.671 10.700 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.209 12.577 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.913 12.469 1.523 1.00 0.00 H new ATOM 588 N LYS A 37 7.169 5.188 -2.199 1.00 0.00 N ATOM 589 CA LYS A 37 7.406 5.290 -3.637 1.00 0.00 C ATOM 590 C LYS A 37 6.384 4.508 -4.448 1.00 0.00 C ATOM 591 O LYS A 37 5.964 4.918 -5.524 1.00 0.00 O ATOM 592 CB LYS A 37 8.845 4.825 -4.002 1.00 0.00 C ATOM 593 CG LYS A 37 9.402 5.352 -5.348 1.00 0.00 C ATOM 594 CD LYS A 37 9.511 4.355 -6.532 1.00 0.00 C ATOM 595 CE LYS A 37 8.292 4.304 -7.472 1.00 0.00 C ATOM 596 NZ LYS A 37 8.637 3.734 -8.793 1.00 0.00 N ATOM 0 H LYS A 37 7.931 4.738 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 37 7.298 6.343 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.520 5.135 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.859 3.735 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.772 6.182 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.396 5.759 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.391 4.613 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.679 3.356 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.505 3.706 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.893 5.310 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.790 3.717 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.370 4.319 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.994 2.765 -8.670 1.00 0.00 H new ATOM 610 N LEU A 38 5.923 3.359 -3.923 1.00 0.00 N ATOM 611 CA LEU A 38 4.877 2.566 -4.533 1.00 0.00 C ATOM 612 C LEU A 38 3.509 3.208 -4.313 1.00 0.00 C ATOM 613 O LEU A 38 2.755 3.394 -5.265 1.00 0.00 O ATOM 614 CB LEU A 38 4.950 1.107 -4.012 1.00 0.00 C ATOM 615 CG LEU A 38 4.182 0.065 -4.856 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.800 -1.329 -4.676 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.689 -0.002 -4.514 1.00 0.00 C ATOM 0 H LEU A 38 6.280 2.963 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 38 5.028 2.533 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.997 0.809 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.562 1.082 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 38 4.269 0.389 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.248 -2.052 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.841 -1.310 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.750 -1.616 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.206 -0.752 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.568 -0.272 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.231 0.971 -4.693 1.00 0.00 H new ATOM 629 N MET A 39 3.182 3.596 -3.059 1.00 0.00 N ATOM 630 CA MET A 39 1.941 4.257 -2.661 1.00 0.00 C ATOM 631 C MET A 39 1.580 5.466 -3.509 1.00 0.00 C ATOM 632 O MET A 39 0.575 5.477 -4.217 1.00 0.00 O ATOM 633 CB MET A 39 2.007 4.727 -1.180 1.00 0.00 C ATOM 634 CG MET A 39 2.009 3.593 -0.133 1.00 0.00 C ATOM 635 SD MET A 39 0.444 3.365 0.778 1.00 0.00 S ATOM 636 CE MET A 39 -0.620 2.874 -0.609 1.00 0.00 C ATOM 0 H MET A 39 3.811 3.445 -2.270 1.00 0.00 H new ATOM 0 HA MET A 39 1.172 3.498 -2.805 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.907 5.327 -1.045 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.157 5.380 -0.984 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.257 2.658 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.804 3.788 0.587 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.626 2.672 -0.242 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.656 3.679 -1.343 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.217 1.975 -1.076 1.00 0.00 H new ATOM 646 N ASN A 40 2.423 6.515 -3.483 1.00 0.00 N ATOM 647 CA ASN A 40 2.131 7.763 -4.167 1.00 0.00 C ATOM 648 C ASN A 40 2.239 7.643 -5.681 1.00 0.00 C ATOM 649 O ASN A 40 1.522 8.317 -6.417 1.00 0.00 O ATOM 650 CB ASN A 40 3.008 8.914 -3.623 1.00 0.00 C ATOM 651 CG ASN A 40 2.605 9.171 -2.177 1.00 0.00 C ATOM 652 OD1 ASN A 40 1.462 8.950 -1.772 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.543 9.671 -1.349 1.00 0.00 N ATOM 0 H ASN A 40 3.315 6.510 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 40 1.089 8.003 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.064 8.649 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.870 9.814 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.310 9.871 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.486 9.850 -1.695 1.00 0.00 H new ATOM 660 N ALA A 41 3.070 6.712 -6.195 1.00 0.00 N ATOM 661 CA ALA A 41 3.044 6.352 -7.599 1.00 0.00 C ATOM 662 C ALA A 41 1.718 5.724 -8.021 1.00 0.00 C ATOM 663 O ALA A 41 1.147 6.103 -9.035 1.00 0.00 O ATOM 664 CB ALA A 41 4.204 5.404 -7.956 1.00 0.00 C ATOM 0 H ALA A 41 3.763 6.204 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 41 3.161 7.285 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.156 5.153 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.154 5.894 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.125 4.493 -7.363 1.00 0.00 H new ATOM 670 N TYR A 42 1.150 4.778 -7.247 1.00 0.00 N ATOM 671 CA TYR A 42 -0.173 4.237 -7.537 1.00 0.00 C ATOM 672 C TYR A 42 -1.277 5.289 -7.477 1.00 0.00 C ATOM 673 O TYR A 42 -2.126 5.339 -8.364 1.00 0.00 O ATOM 674 CB TYR A 42 -0.518 3.027 -6.624 1.00 0.00 C ATOM 675 CG TYR A 42 -0.228 1.745 -7.357 1.00 0.00 C ATOM 676 CD1 TYR A 42 1.068 1.209 -7.393 1.00 0.00 C ATOM 677 CD2 TYR A 42 -1.255 1.087 -8.057 1.00 0.00 C ATOM 678 CE1 TYR A 42 1.334 0.024 -8.096 1.00 0.00 C ATOM 679 CE2 TYR A 42 -0.991 -0.093 -8.767 1.00 0.00 C ATOM 680 CZ TYR A 42 0.302 -0.623 -8.787 1.00 0.00 C ATOM 681 OH TYR A 42 0.552 -1.797 -9.521 1.00 0.00 O ATOM 0 H TYR A 42 1.594 4.380 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.125 3.885 -8.568 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.067 3.073 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.569 3.064 -6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.869 1.714 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.255 1.494 -8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.332 -0.388 -8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.787 -0.593 -9.299 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.280 -2.108 -9.934 1.00 0.00 H new ATOM 691 N CYS A 43 -1.261 6.197 -6.478 1.00 0.00 N ATOM 692 CA CYS A 43 -2.152 7.352 -6.414 1.00 0.00 C ATOM 693 C CYS A 43 -2.106 8.234 -7.661 1.00 0.00 C ATOM 694 O CYS A 43 -3.115 8.444 -8.336 1.00 0.00 O ATOM 695 CB CYS A 43 -1.852 8.247 -5.178 1.00 0.00 C ATOM 696 SG CYS A 43 -2.127 7.383 -3.593 1.00 0.00 S ATOM 0 H CYS A 43 -0.618 6.139 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.149 6.919 -6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.818 8.589 -5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.483 9.135 -5.217 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.200 6.488 -3.420 1.00 0.00 H new ATOM 702 N ASP A 44 -0.916 8.746 -8.019 1.00 0.00 N ATOM 703 CA ASP A 44 -0.736 9.664 -9.122 1.00 0.00 C ATOM 704 C ASP A 44 -0.791 9.009 -10.514 1.00 0.00 C ATOM 705 O ASP A 44 -1.150 9.661 -11.496 1.00 0.00 O ATOM 706 CB ASP A 44 0.593 10.428 -8.929 1.00 0.00 C ATOM 707 CG ASP A 44 0.500 11.487 -7.842 1.00 0.00 C ATOM 708 OD1 ASP A 44 -0.605 11.852 -7.379 1.00 0.00 O ATOM 709 OD2 ASP A 44 1.583 12.042 -7.503 1.00 0.00 O ATOM 0 H ASP A 44 -0.048 8.521 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.584 10.349 -9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.382 9.720 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.877 10.900 -9.869 1.00 0.00 H new ATOM 714 N ARG A 45 -0.469 7.707 -10.668 1.00 0.00 N ATOM 715 CA ARG A 45 -0.637 7.000 -11.935 1.00 0.00 C ATOM 716 C ARG A 45 -2.061 6.498 -12.164 1.00 0.00 C ATOM 717 O ARG A 45 -2.452 6.224 -13.301 1.00 0.00 O ATOM 718 CB ARG A 45 0.385 5.848 -12.128 1.00 0.00 C ATOM 719 CG ARG A 45 1.871 6.295 -12.115 1.00 0.00 C ATOM 720 CD ARG A 45 2.320 7.281 -13.205 1.00 0.00 C ATOM 721 NE ARG A 45 2.438 6.545 -14.508 1.00 0.00 N ATOM 722 CZ ARG A 45 1.546 6.582 -15.509 1.00 0.00 C ATOM 723 NH1 ARG A 45 0.449 7.320 -15.460 1.00 0.00 N ATOM 724 NH2 ARG A 45 1.789 5.859 -16.596 1.00 0.00 N ATOM 0 H ARG A 45 -0.089 7.129 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.433 7.753 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.234 5.110 -11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.177 5.350 -13.075 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.079 6.747 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.492 5.403 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.601 8.095 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.277 7.729 -12.937 1.00 0.00 H new ATOM 0 HE ARG A 45 3.268 5.967 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.255 7.891 -14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.202 7.318 -16.245 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.637 5.295 -16.654 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.128 5.868 -17.373 1.00 0.00 H new ATOM 738 N ALA A 46 -2.881 6.372 -11.102 1.00 0.00 N ATOM 739 CA ALA A 46 -4.307 6.123 -11.206 1.00 0.00 C ATOM 740 C ALA A 46 -5.117 7.411 -11.355 1.00 0.00 C ATOM 741 O ALA A 46 -6.057 7.479 -12.148 1.00 0.00 O ATOM 742 CB ALA A 46 -4.793 5.357 -9.962 1.00 0.00 C ATOM 0 H ALA A 46 -2.553 6.444 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.465 5.529 -12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.864 5.172 -10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.265 4.406 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.595 5.950 -9.069 1.00 0.00 H new ATOM 748 N GLY A 47 -4.779 8.460 -10.578 1.00 0.00 N ATOM 749 CA GLY A 47 -5.433 9.769 -10.602 1.00 0.00 C ATOM 750 C GLY A 47 -6.329 9.999 -9.418 1.00 0.00 C ATOM 751 O GLY A 47 -7.428 10.530 -9.555 1.00 0.00 O ATOM 0 H GLY A 47 -4.020 8.410 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.672 10.549 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.018 9.860 -11.517 1.00 0.00 H new ATOM 755 N LEU A 48 -5.879 9.614 -8.211 1.00 0.00 N ATOM 756 CA LEU A 48 -6.689 9.685 -7.009 1.00 0.00 C ATOM 757 C LEU A 48 -5.901 10.237 -5.827 1.00 0.00 C ATOM 758 O LEU A 48 -4.694 10.469 -5.909 1.00 0.00 O ATOM 759 CB LEU A 48 -7.370 8.318 -6.719 1.00 0.00 C ATOM 760 CG LEU A 48 -6.446 7.080 -6.617 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.758 6.962 -5.250 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.256 5.803 -6.894 1.00 0.00 C ATOM 0 H LEU A 48 -4.941 9.246 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.494 10.400 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.922 8.406 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.102 8.131 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.663 7.205 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.123 6.076 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.148 7.848 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.513 6.878 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.602 4.934 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.059 5.715 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.683 5.853 -7.896 1.00 0.00 H new ATOM 774 N SER A 49 -6.577 10.514 -4.694 1.00 0.00 N ATOM 775 CA SER A 49 -5.982 11.219 -3.559 1.00 0.00 C ATOM 776 C SER A 49 -5.977 10.368 -2.305 1.00 0.00 C ATOM 777 O SER A 49 -6.933 9.651 -2.016 1.00 0.00 O ATOM 778 CB SER A 49 -6.764 12.505 -3.178 1.00 0.00 C ATOM 779 OG SER A 49 -6.878 13.396 -4.289 1.00 0.00 O ATOM 0 H SER A 49 -7.552 10.252 -4.548 1.00 0.00 H new ATOM 0 HA SER A 49 -4.971 11.459 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.759 12.236 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.258 13.010 -2.355 1.00 0.00 H new ATOM 0 HG SER A 49 -7.377 14.195 -4.018 1.00 0.00 H new ATOM 785 N MET A 50 -4.920 10.471 -1.472 1.00 0.00 N ATOM 786 CA MET A 50 -4.795 9.740 -0.216 1.00 0.00 C ATOM 787 C MET A 50 -5.823 10.168 0.836 1.00 0.00 C ATOM 788 O MET A 50 -6.232 9.386 1.691 1.00 0.00 O ATOM 789 CB MET A 50 -3.353 9.877 0.337 1.00 0.00 C ATOM 790 CG MET A 50 -2.932 8.818 1.383 1.00 0.00 C ATOM 791 SD MET A 50 -2.075 7.346 0.720 1.00 0.00 S ATOM 792 CE MET A 50 -3.487 6.425 0.048 1.00 0.00 C ATOM 0 H MET A 50 -4.123 11.077 -1.666 1.00 0.00 H new ATOM 0 HA MET A 50 -5.004 8.693 -0.436 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.657 9.831 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.248 10.865 0.785 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.281 9.296 2.115 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.823 8.487 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.233 5.367 -0.019 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.348 6.550 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.729 6.804 -0.945 1.00 0.00 H new ATOM 802 N GLN A 51 -6.312 11.425 0.759 1.00 0.00 N ATOM 803 CA GLN A 51 -7.455 11.932 1.510 1.00 0.00 C ATOM 804 C GLN A 51 -8.722 11.071 1.478 1.00 0.00 C ATOM 805 O GLN A 51 -9.324 10.820 2.519 1.00 0.00 O ATOM 806 CB GLN A 51 -7.838 13.354 1.018 1.00 0.00 C ATOM 807 CG GLN A 51 -6.937 14.482 1.573 1.00 0.00 C ATOM 808 CD GLN A 51 -7.153 14.684 3.076 1.00 0.00 C ATOM 809 OE1 GLN A 51 -8.295 14.775 3.535 1.00 0.00 O ATOM 810 NE2 GLN A 51 -6.052 14.756 3.852 1.00 0.00 N ATOM 0 H GLN A 51 -5.899 12.130 0.148 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.104 11.924 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.795 13.373 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.871 13.558 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.891 14.240 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.150 15.412 1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.126 14.676 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.146 14.890 4.859 1.00 0.00 H new ATOM 819 N VAL A 52 -9.184 10.622 0.293 1.00 0.00 N ATOM 820 CA VAL A 52 -10.414 9.842 0.176 1.00 0.00 C ATOM 821 C VAL A 52 -10.177 8.364 0.439 1.00 0.00 C ATOM 822 O VAL A 52 -11.020 7.674 1.009 1.00 0.00 O ATOM 823 CB VAL A 52 -11.145 10.055 -1.147 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.653 11.510 -1.205 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.267 9.731 -2.372 1.00 0.00 C ATOM 0 H VAL A 52 -8.714 10.792 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.074 10.222 0.956 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.985 9.361 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.177 11.675 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.334 11.691 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.807 12.194 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.839 9.901 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.388 10.375 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.953 8.688 -2.329 1.00 0.00 H new ATOM 835 N VAL A 53 -8.989 7.842 0.079 1.00 0.00 N ATOM 836 CA VAL A 53 -8.599 6.466 0.337 1.00 0.00 C ATOM 837 C VAL A 53 -8.352 6.227 1.822 1.00 0.00 C ATOM 838 O VAL A 53 -7.524 6.872 2.464 1.00 0.00 O ATOM 839 CB VAL A 53 -7.348 6.102 -0.458 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.852 4.679 -0.134 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.679 6.190 -1.959 1.00 0.00 C ATOM 0 H VAL A 53 -8.272 8.382 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.424 5.828 0.018 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.556 6.800 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.960 4.462 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.613 4.610 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.632 3.958 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.795 5.933 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.485 5.495 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.992 7.205 -2.204 1.00 0.00 H new ATOM 851 N ARG A 54 -9.089 5.293 2.446 1.00 0.00 N ATOM 852 CA ARG A 54 -8.913 4.952 3.847 1.00 0.00 C ATOM 853 C ARG A 54 -8.406 3.518 3.935 1.00 0.00 C ATOM 854 O ARG A 54 -9.152 2.550 3.797 1.00 0.00 O ATOM 855 CB ARG A 54 -10.229 5.150 4.643 1.00 0.00 C ATOM 856 CG ARG A 54 -10.917 6.528 4.483 1.00 0.00 C ATOM 857 CD ARG A 54 -10.295 7.723 5.227 1.00 0.00 C ATOM 858 NE ARG A 54 -9.049 8.151 4.518 1.00 0.00 N ATOM 859 CZ ARG A 54 -8.162 9.002 5.046 1.00 0.00 C ATOM 860 NH1 ARG A 54 -8.468 9.762 6.088 1.00 0.00 N ATOM 861 NH2 ARG A 54 -6.960 9.096 4.493 1.00 0.00 N ATOM 0 H ARG A 54 -9.823 4.758 1.982 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.179 5.619 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.934 4.376 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.018 4.992 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.943 6.770 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.951 6.428 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.005 8.549 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.065 7.446 6.256 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.867 7.776 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.397 9.706 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.774 10.403 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.726 8.525 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.269 9.739 4.880 1.00 0.00 H new ATOM 875 N PHE A 55 -7.086 3.347 4.128 1.00 0.00 N ATOM 876 CA PHE A 55 -6.428 2.053 4.121 1.00 0.00 C ATOM 877 C PHE A 55 -6.132 1.571 5.536 1.00 0.00 C ATOM 878 O PHE A 55 -5.830 2.358 6.430 1.00 0.00 O ATOM 879 CB PHE A 55 -5.129 2.087 3.255 1.00 0.00 C ATOM 880 CG PHE A 55 -4.117 3.100 3.740 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.195 4.448 3.348 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.084 2.705 4.608 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.277 5.387 3.836 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.162 3.639 5.094 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.262 4.982 4.710 1.00 0.00 C ATOM 0 H PHE A 55 -6.447 4.124 4.295 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.114 1.338 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.673 1.097 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.394 2.314 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.970 4.762 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.001 1.669 4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.353 6.422 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.375 3.325 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.555 5.706 5.089 1.00 0.00 H new ATOM 895 N ARG A 56 -6.214 0.251 5.781 1.00 0.00 N ATOM 896 CA ARG A 56 -5.806 -0.316 7.054 1.00 0.00 C ATOM 897 C ARG A 56 -5.085 -1.637 6.823 1.00 0.00 C ATOM 898 O ARG A 56 -5.392 -2.389 5.903 1.00 0.00 O ATOM 899 CB ARG A 56 -6.978 -0.569 8.044 1.00 0.00 C ATOM 900 CG ARG A 56 -7.693 0.681 8.614 1.00 0.00 C ATOM 901 CD ARG A 56 -8.904 1.215 7.828 1.00 0.00 C ATOM 902 NE ARG A 56 -9.889 0.096 7.773 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.221 0.196 7.749 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.876 1.341 7.831 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.908 -0.938 7.650 1.00 0.00 N ATOM 0 H ARG A 56 -6.560 -0.432 5.107 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.153 0.428 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.722 -1.185 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.595 -1.153 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.022 0.450 9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.960 1.484 8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.333 2.088 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.611 1.526 6.825 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.504 -0.848 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.362 2.218 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.896 1.348 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.416 -1.830 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.928 -0.916 7.628 1.00 0.00 H new ATOM 919 N PHE A 57 -4.102 -1.958 7.681 1.00 0.00 N ATOM 920 CA PHE A 57 -3.410 -3.232 7.680 1.00 0.00 C ATOM 921 C PHE A 57 -3.470 -3.742 9.106 1.00 0.00 C ATOM 922 O PHE A 57 -3.401 -2.955 10.046 1.00 0.00 O ATOM 923 CB PHE A 57 -1.936 -3.083 7.221 1.00 0.00 C ATOM 924 CG PHE A 57 -1.233 -4.412 7.197 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.539 -5.347 6.200 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.306 -4.756 8.198 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.919 -6.599 6.192 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.324 -6.006 8.186 1.00 0.00 C ATOM 929 CZ PHE A 57 0.016 -6.927 7.178 1.00 0.00 C ATOM 0 H PHE A 57 -3.769 -1.319 8.403 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.880 -3.924 6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.906 -2.636 6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.411 -2.404 7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.258 -5.099 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.079 -4.049 8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.163 -7.316 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.044 -6.258 8.950 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.501 -7.892 7.162 1.00 0.00 H new ATOM 939 N ASP A 58 -3.649 -5.068 9.314 1.00 0.00 N ATOM 940 CA ASP A 58 -3.756 -5.664 10.643 1.00 0.00 C ATOM 941 C ASP A 58 -5.007 -5.151 11.392 1.00 0.00 C ATOM 942 O ASP A 58 -5.107 -5.143 12.617 1.00 0.00 O ATOM 943 CB ASP A 58 -2.408 -5.425 11.393 1.00 0.00 C ATOM 944 CG ASP A 58 -2.030 -6.505 12.369 1.00 0.00 C ATOM 945 OD1 ASP A 58 -2.588 -6.564 13.488 1.00 0.00 O ATOM 946 OD2 ASP A 58 -1.089 -7.281 12.051 1.00 0.00 O ATOM 0 H ASP A 58 -3.722 -5.746 8.555 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.910 -6.741 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.611 -5.325 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.469 -4.477 11.927 1.00 0.00 H new ATOM 951 N GLY A 59 -6.008 -4.656 10.626 1.00 0.00 N ATOM 952 CA GLY A 59 -7.177 -3.950 11.141 1.00 0.00 C ATOM 953 C GLY A 59 -6.956 -2.472 11.387 1.00 0.00 C ATOM 954 O GLY A 59 -7.912 -1.712 11.509 1.00 0.00 O ATOM 0 H GLY A 59 -6.013 -4.745 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.999 -4.070 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.488 -4.419 12.075 1.00 0.00 H new ATOM 958 N GLN A 60 -5.688 -2.036 11.485 1.00 0.00 N ATOM 959 CA GLN A 60 -5.257 -0.785 12.080 1.00 0.00 C ATOM 960 C GLN A 60 -4.662 0.200 11.063 1.00 0.00 C ATOM 961 O GLN A 60 -4.304 -0.186 9.948 1.00 0.00 O ATOM 962 CB GLN A 60 -4.148 -1.124 13.115 1.00 0.00 C ATOM 963 CG GLN A 60 -4.632 -2.031 14.272 1.00 0.00 C ATOM 964 CD GLN A 60 -3.452 -2.454 15.150 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.859 -1.637 15.854 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.097 -3.760 15.108 1.00 0.00 N ATOM 0 H GLN A 60 -4.905 -2.584 11.129 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.131 -0.307 12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.322 -1.616 12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.757 -0.196 13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.369 -1.500 14.874 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.127 -2.914 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.611 -4.409 14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.315 -4.094 15.672 1.00 0.00 H new ATOM 975 N PRO A 61 -4.501 1.482 11.376 1.00 0.00 N ATOM 976 CA PRO A 61 -3.705 2.393 10.555 1.00 0.00 C ATOM 977 C PRO A 61 -2.204 2.093 10.620 1.00 0.00 C ATOM 978 O PRO A 61 -1.594 2.196 11.687 1.00 0.00 O ATOM 979 CB PRO A 61 -4.053 3.784 11.111 1.00 0.00 C ATOM 980 CG PRO A 61 -4.465 3.528 12.566 1.00 0.00 C ATOM 981 CD PRO A 61 -5.158 2.169 12.495 1.00 0.00 C ATOM 0 HA PRO A 61 -3.935 2.299 9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.199 4.459 11.054 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.862 4.246 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.602 3.506 13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.135 4.303 12.938 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.041 1.614 13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.229 2.277 12.321 1.00 0.00 H new ATOM 989 N ILE A 62 -1.599 1.727 9.473 1.00 0.00 N ATOM 990 CA ILE A 62 -0.194 1.371 9.333 1.00 0.00 C ATOM 991 C ILE A 62 0.673 2.557 8.908 1.00 0.00 C ATOM 992 O ILE A 62 0.256 3.426 8.144 1.00 0.00 O ATOM 993 CB ILE A 62 -0.026 0.189 8.367 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.449 -0.273 8.224 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.670 0.509 6.995 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.628 -1.616 7.505 1.00 0.00 C ATOM 0 H ILE A 62 -2.106 1.673 8.590 1.00 0.00 H new ATOM 0 HA ILE A 62 0.157 1.067 10.319 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.556 -0.658 8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.005 0.492 7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.892 -0.345 9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.540 -0.341 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.734 0.706 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.190 1.388 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.689 -1.861 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.104 -2.397 8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.219 -1.546 6.497 1.00 0.00 H new ATOM 1008 N ASN A 63 1.925 2.629 9.408 1.00 0.00 N ATOM 1009 CA ASN A 63 2.897 3.635 9.015 1.00 0.00 C ATOM 1010 C ASN A 63 3.858 3.120 7.947 1.00 0.00 C ATOM 1011 O ASN A 63 4.578 2.144 8.134 1.00 0.00 O ATOM 1012 CB ASN A 63 3.735 4.090 10.232 1.00 0.00 C ATOM 1013 CG ASN A 63 2.803 4.754 11.234 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.030 5.655 10.883 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.881 4.333 12.509 1.00 0.00 N ATOM 0 H ASN A 63 2.280 1.974 10.105 1.00 0.00 H new ATOM 0 HA ASN A 63 2.326 4.470 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.236 3.236 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.513 4.786 9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.291 4.759 13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.530 3.588 12.761 1.00 0.00 H new ATOM 1022 N GLU A 64 3.940 3.811 6.791 1.00 0.00 N ATOM 1023 CA GLU A 64 4.729 3.395 5.637 1.00 0.00 C ATOM 1024 C GLU A 64 6.251 3.504 5.773 1.00 0.00 C ATOM 1025 O GLU A 64 7.003 3.141 4.867 1.00 0.00 O ATOM 1026 CB GLU A 64 4.302 4.232 4.408 1.00 0.00 C ATOM 1027 CG GLU A 64 4.656 5.740 4.496 1.00 0.00 C ATOM 1028 CD GLU A 64 4.230 6.511 3.260 1.00 0.00 C ATOM 1029 OE1 GLU A 64 3.556 5.945 2.366 1.00 0.00 O ATOM 1030 OE2 GLU A 64 4.522 7.735 3.218 1.00 0.00 O ATOM 0 H GLU A 64 3.445 4.690 6.641 1.00 0.00 H new ATOM 0 HA GLU A 64 4.520 2.330 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.773 3.813 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.225 4.133 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.175 6.172 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.731 5.850 4.636 1.00 0.00 H new ATOM 1037 N ASN A 65 6.739 4.025 6.917 1.00 0.00 N ATOM 1038 CA ASN A 65 8.145 4.265 7.185 1.00 0.00 C ATOM 1039 C ASN A 65 8.838 3.017 7.732 1.00 0.00 C ATOM 1040 O ASN A 65 10.059 2.874 7.642 1.00 0.00 O ATOM 1041 CB ASN A 65 8.267 5.451 8.177 1.00 0.00 C ATOM 1042 CG ASN A 65 9.622 6.143 8.058 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.870 6.896 7.113 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.520 5.912 9.037 1.00 0.00 N ATOM 0 H ASN A 65 6.136 4.294 7.694 1.00 0.00 H new ATOM 0 HA ASN A 65 8.647 4.515 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.472 6.171 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.130 5.090 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.433 6.365 9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.286 5.284 9.806 1.00 0.00 H new ATOM 1051 N ASP A 66 8.076 2.072 8.318 1.00 0.00 N ATOM 1052 CA ASP A 66 8.587 0.793 8.765 1.00 0.00 C ATOM 1053 C ASP A 66 8.910 -0.083 7.554 1.00 0.00 C ATOM 1054 O ASP A 66 8.083 -0.343 6.684 1.00 0.00 O ATOM 1055 CB ASP A 66 7.567 0.081 9.697 1.00 0.00 C ATOM 1056 CG ASP A 66 7.589 0.645 11.097 1.00 0.00 C ATOM 1057 OD1 ASP A 66 7.504 1.885 11.284 1.00 0.00 O ATOM 1058 OD2 ASP A 66 7.736 -0.149 12.065 1.00 0.00 O ATOM 0 H ASP A 66 7.078 2.193 8.489 1.00 0.00 H new ATOM 0 HA ASP A 66 9.499 0.962 9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.564 0.182 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.791 -0.985 9.732 1.00 0.00 H new ATOM 1063 N THR A 67 10.174 -0.534 7.436 1.00 0.00 N ATOM 1064 CA THR A 67 10.628 -1.243 6.246 1.00 0.00 C ATOM 1065 C THR A 67 10.179 -2.699 6.267 1.00 0.00 C ATOM 1066 O THR A 67 10.097 -3.275 7.354 1.00 0.00 O ATOM 1067 CB THR A 67 12.146 -1.178 6.043 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.881 -1.753 7.120 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.583 0.290 5.941 1.00 0.00 C ATOM 0 H THR A 67 10.889 -0.415 8.153 1.00 0.00 H new ATOM 0 HA THR A 67 10.165 -0.728 5.404 1.00 0.00 H new ATOM 0 HB THR A 67 12.356 -1.742 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.841 -1.684 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.662 0.339 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.082 0.761 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.316 0.814 6.859 1.00 0.00 H new ATOM 1077 N PRO A 68 9.876 -3.391 5.166 1.00 0.00 N ATOM 1078 CA PRO A 68 9.311 -4.738 5.246 1.00 0.00 C ATOM 1079 C PRO A 68 10.316 -5.770 5.732 1.00 0.00 C ATOM 1080 O PRO A 68 9.899 -6.840 6.170 1.00 0.00 O ATOM 1081 CB PRO A 68 8.797 -5.018 3.819 1.00 0.00 C ATOM 1082 CG PRO A 68 9.574 -4.046 2.926 1.00 0.00 C ATOM 1083 CD PRO A 68 9.747 -2.822 3.822 1.00 0.00 C ATOM 0 HA PRO A 68 8.512 -4.806 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.979 -6.053 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.723 -4.850 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.534 -4.460 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.024 -3.806 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.629 -2.245 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.891 -2.150 3.752 1.00 0.00 H new ATOM 1091 N THR A 69 11.634 -5.473 5.721 1.00 0.00 N ATOM 1092 CA THR A 69 12.632 -6.313 6.383 1.00 0.00 C ATOM 1093 C THR A 69 12.674 -6.095 7.891 1.00 0.00 C ATOM 1094 O THR A 69 13.022 -6.992 8.655 1.00 0.00 O ATOM 1095 CB THR A 69 14.030 -6.209 5.771 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.749 -7.416 5.960 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.885 -5.057 6.318 1.00 0.00 C ATOM 0 H THR A 69 12.023 -4.653 5.257 1.00 0.00 H new ATOM 0 HA THR A 69 12.295 -7.334 6.205 1.00 0.00 H new ATOM 0 HB THR A 69 13.852 -6.008 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.640 -7.332 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.858 -5.061 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.385 -4.108 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.020 -5.182 7.392 1.00 0.00 H new ATOM 1105 N SER A 70 12.247 -4.910 8.384 1.00 0.00 N ATOM 1106 CA SER A 70 12.034 -4.662 9.813 1.00 0.00 C ATOM 1107 C SER A 70 10.795 -5.383 10.300 1.00 0.00 C ATOM 1108 O SER A 70 10.780 -5.977 11.374 1.00 0.00 O ATOM 1109 CB SER A 70 11.812 -3.169 10.188 1.00 0.00 C ATOM 1110 OG SER A 70 12.940 -2.364 9.849 1.00 0.00 O ATOM 0 H SER A 70 12.043 -4.103 7.795 1.00 0.00 H new ATOM 0 HA SER A 70 12.954 -5.017 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.929 -2.792 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.616 -3.088 11.257 1.00 0.00 H new ATOM 0 HG SER A 70 12.908 -2.141 8.895 1.00 0.00 H new ATOM 1116 N LEU A 71 9.717 -5.351 9.487 1.00 0.00 N ATOM 1117 CA LEU A 71 8.458 -6.021 9.765 1.00 0.00 C ATOM 1118 C LEU A 71 8.554 -7.547 9.739 1.00 0.00 C ATOM 1119 O LEU A 71 7.878 -8.221 10.514 1.00 0.00 O ATOM 1120 CB LEU A 71 7.356 -5.579 8.761 1.00 0.00 C ATOM 1121 CG LEU A 71 7.029 -4.070 8.753 1.00 0.00 C ATOM 1122 CD1 LEU A 71 6.018 -3.739 7.646 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.483 -3.592 10.104 1.00 0.00 C ATOM 0 H LEU A 71 9.713 -4.843 8.602 1.00 0.00 H new ATOM 0 HA LEU A 71 8.196 -5.721 10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.665 -5.871 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.443 -6.130 8.986 1.00 0.00 H new ATOM 0 HG LEU A 71 7.965 -3.545 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.802 -2.671 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.436 -4.013 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.097 -4.297 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.267 -2.525 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.569 -4.136 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.225 -3.775 10.881 1.00 0.00 H new ATOM 1135 N GLU A 72 9.392 -8.117 8.841 1.00 0.00 N ATOM 1136 CA GLU A 72 9.659 -9.548 8.728 1.00 0.00 C ATOM 1137 C GLU A 72 8.469 -10.359 8.233 1.00 0.00 C ATOM 1138 O GLU A 72 8.155 -11.440 8.729 1.00 0.00 O ATOM 1139 CB GLU A 72 10.317 -10.164 9.997 1.00 0.00 C ATOM 1140 CG GLU A 72 11.747 -9.619 10.221 1.00 0.00 C ATOM 1141 CD GLU A 72 12.400 -10.082 11.508 1.00 0.00 C ATOM 1142 OE1 GLU A 72 12.491 -11.312 11.764 1.00 0.00 O ATOM 1143 OE2 GLU A 72 12.916 -9.197 12.242 1.00 0.00 O ATOM 0 H GLU A 72 9.912 -7.565 8.159 1.00 0.00 H new ATOM 0 HA GLU A 72 10.410 -9.620 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.702 -9.943 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.352 -11.249 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.373 -9.921 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.712 -8.530 10.217 1.00 0.00 H new ATOM 1150 N MET A 73 7.782 -9.856 7.189 1.00 0.00 N ATOM 1151 CA MET A 73 6.642 -10.530 6.588 1.00 0.00 C ATOM 1152 C MET A 73 7.027 -11.358 5.364 1.00 0.00 C ATOM 1153 O MET A 73 8.200 -11.505 5.012 1.00 0.00 O ATOM 1154 CB MET A 73 5.504 -9.526 6.295 1.00 0.00 C ATOM 1155 CG MET A 73 5.103 -8.751 7.570 1.00 0.00 C ATOM 1156 SD MET A 73 3.522 -7.865 7.474 1.00 0.00 S ATOM 1157 CE MET A 73 3.935 -6.752 6.105 1.00 0.00 C ATOM 0 H MET A 73 8.013 -8.967 6.746 1.00 0.00 H new ATOM 0 HA MET A 73 6.265 -11.249 7.316 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.824 -8.824 5.525 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.638 -10.058 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.057 -9.453 8.403 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.890 -8.033 7.801 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.138 -6.019 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.870 -6.237 6.324 1.00 0.00 H new ATOM 0 HE3 MET A 73 4.045 -7.330 5.187 1.00 0.00 H new ATOM 1167 N GLU A 74 6.029 -11.978 4.716 1.00 0.00 N ATOM 1168 CA GLU A 74 6.213 -13.071 3.780 1.00 0.00 C ATOM 1169 C GLU A 74 5.690 -12.773 2.378 1.00 0.00 C ATOM 1170 O GLU A 74 5.270 -11.663 2.057 1.00 0.00 O ATOM 1171 CB GLU A 74 5.540 -14.327 4.375 1.00 0.00 C ATOM 1172 CG GLU A 74 4.055 -14.133 4.768 1.00 0.00 C ATOM 1173 CD GLU A 74 3.479 -15.368 5.429 1.00 0.00 C ATOM 1174 OE1 GLU A 74 4.157 -16.426 5.496 1.00 0.00 O ATOM 1175 OE2 GLU A 74 2.310 -15.296 5.876 1.00 0.00 O ATOM 0 H GLU A 74 5.050 -11.718 4.839 1.00 0.00 H new ATOM 0 HA GLU A 74 7.283 -13.231 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.608 -15.138 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.099 -14.640 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.967 -13.284 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.473 -13.892 3.879 1.00 0.00 H new ATOM 1182 N GLU A 75 5.757 -13.761 1.464 1.00 0.00 N ATOM 1183 CA GLU A 75 5.438 -13.571 0.063 1.00 0.00 C ATOM 1184 C GLU A 75 3.943 -13.704 -0.239 1.00 0.00 C ATOM 1185 O GLU A 75 3.441 -14.764 -0.616 1.00 0.00 O ATOM 1186 CB GLU A 75 6.294 -14.524 -0.812 1.00 0.00 C ATOM 1187 CG GLU A 75 6.625 -13.989 -2.229 1.00 0.00 C ATOM 1188 CD GLU A 75 5.425 -13.902 -3.143 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.010 -14.956 -3.691 1.00 0.00 O ATOM 1190 OE2 GLU A 75 4.883 -12.789 -3.358 1.00 0.00 O ATOM 0 H GLU A 75 6.037 -14.714 1.694 1.00 0.00 H new ATOM 0 HA GLU A 75 5.691 -12.542 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.228 -14.731 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.767 -15.473 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.073 -13.000 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.372 -14.637 -2.687 1.00 0.00 H new ATOM 1197 N GLY A 76 3.195 -12.594 -0.096 1.00 0.00 N ATOM 1198 CA GLY A 76 1.781 -12.518 -0.454 1.00 0.00 C ATOM 1199 C GLY A 76 0.973 -11.869 0.627 1.00 0.00 C ATOM 1200 O GLY A 76 0.112 -12.497 1.236 1.00 0.00 O ATOM 0 H GLY A 76 3.567 -11.720 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.669 -11.955 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.398 -13.521 -0.643 1.00 0.00 H new ATOM 1204 N ASP A 77 1.226 -10.582 0.892 1.00 0.00 N ATOM 1205 CA ASP A 77 0.619 -9.871 2.000 1.00 0.00 C ATOM 1206 C ASP A 77 -0.709 -9.202 1.594 1.00 0.00 C ATOM 1207 O ASP A 77 -1.001 -9.042 0.408 1.00 0.00 O ATOM 1208 CB ASP A 77 1.698 -8.907 2.549 1.00 0.00 C ATOM 1209 CG ASP A 77 1.260 -8.286 3.846 1.00 0.00 C ATOM 1210 OD1 ASP A 77 0.761 -9.041 4.718 1.00 0.00 O ATOM 1211 OD2 ASP A 77 1.406 -7.049 3.975 1.00 0.00 O ATOM 0 H ASP A 77 1.862 -10.011 0.336 1.00 0.00 H new ATOM 0 HA ASP A 77 0.316 -10.545 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.632 -9.449 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.897 -8.125 1.817 1.00 0.00 H new ATOM 1216 N THR A 78 -1.582 -8.844 2.561 1.00 0.00 N ATOM 1217 CA THR A 78 -2.963 -8.415 2.284 1.00 0.00 C ATOM 1218 C THR A 78 -3.377 -7.152 3.023 1.00 0.00 C ATOM 1219 O THR A 78 -3.516 -7.153 4.245 1.00 0.00 O ATOM 1220 CB THR A 78 -4.030 -9.465 2.616 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.929 -9.942 3.953 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.866 -10.685 1.696 1.00 0.00 C ATOM 0 H THR A 78 -1.346 -8.846 3.553 1.00 0.00 H new ATOM 0 HA THR A 78 -2.927 -8.239 1.209 1.00 0.00 H new ATOM 0 HB THR A 78 -4.994 -8.975 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.735 -9.193 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.627 -11.427 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.978 -10.375 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.877 -11.119 1.841 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.641 -6.042 2.301 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.076 -4.774 2.892 1.00 0.00 C ATOM 1232 C ILE A 79 -5.503 -4.414 2.471 1.00 0.00 C ATOM 1233 O ILE A 79 -5.889 -4.606 1.313 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.075 -3.652 2.580 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.348 -2.375 3.407 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.004 -3.362 1.062 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.225 -1.334 3.326 1.00 0.00 C ATOM 0 H ILE A 79 -3.555 -6.008 1.285 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.096 -4.897 3.975 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.091 -4.008 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.277 -1.921 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.498 -2.654 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.286 -2.563 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.689 -4.262 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.987 -3.057 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.488 -0.467 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.298 -1.769 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.089 -1.025 2.290 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.353 -3.899 3.395 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.717 -3.503 3.072 1.00 0.00 C ATOM 1251 C GLU A 80 -7.808 -2.023 2.727 1.00 0.00 C ATOM 1252 O GLU A 80 -7.174 -1.164 3.346 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.770 -3.850 4.169 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.539 -3.202 5.566 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.790 -3.037 6.416 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.928 -3.224 5.919 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.654 -2.618 7.599 1.00 0.00 O ATOM 0 H GLU A 80 -6.100 -3.754 4.372 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.970 -4.102 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.754 -3.548 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.794 -4.933 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.822 -3.810 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.083 -2.222 5.424 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.598 -1.687 1.690 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.792 -0.320 1.241 1.00 0.00 C ATOM 1266 C VAL A 81 -10.268 0.014 1.142 1.00 0.00 C ATOM 1267 O VAL A 81 -11.020 -0.530 0.328 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.097 -0.048 -0.094 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.521 1.309 -0.692 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.576 -0.051 0.146 1.00 0.00 C ATOM 0 H VAL A 81 -9.119 -2.373 1.144 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.334 0.327 1.989 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.383 -0.824 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.006 1.466 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.598 1.312 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.259 2.109 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.059 0.141 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.320 0.726 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.271 -1.022 0.536 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.716 0.977 1.965 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.012 1.596 1.840 1.00 0.00 C ATOM 1282 C TYR A 82 -11.891 2.800 0.906 1.00 0.00 C ATOM 1283 O TYR A 82 -11.087 3.710 1.117 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.529 1.992 3.251 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.928 2.546 3.241 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.177 3.894 2.918 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -15.007 1.715 3.574 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.487 4.394 2.906 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -16.314 2.215 3.578 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.551 3.550 3.240 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.871 4.022 3.270 1.00 0.00 O ATOM 0 H TYR A 82 -10.166 1.341 2.743 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.738 0.907 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.497 1.117 3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.856 2.733 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.352 4.548 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.828 0.681 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.673 5.424 2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.139 1.570 3.842 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.474 3.292 3.522 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.700 2.813 -0.163 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.790 3.892 -1.118 1.00 0.00 C ATOM 1303 C GLN A 83 -14.269 4.099 -1.384 1.00 0.00 C ATOM 1304 O GLN A 83 -15.018 3.132 -1.502 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.032 3.519 -2.424 1.00 0.00 C ATOM 1306 CG GLN A 83 -12.280 4.414 -3.668 1.00 0.00 C ATOM 1307 CD GLN A 83 -12.003 5.894 -3.401 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -11.000 6.267 -2.790 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -12.926 6.770 -3.855 1.00 0.00 N ATOM 0 H GLN A 83 -13.326 2.038 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.333 4.806 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.963 3.528 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.296 2.495 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.646 4.073 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.313 4.296 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.746 6.432 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.802 7.770 -3.695 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.731 5.362 -1.454 1.00 0.00 N ATOM 1319 CA GLN A 84 -16.100 5.655 -1.830 1.00 0.00 C ATOM 1320 C GLN A 84 -16.147 6.993 -2.548 1.00 0.00 C ATOM 1321 O GLN A 84 -16.359 7.054 -3.757 1.00 0.00 O ATOM 1322 CB GLN A 84 -17.052 5.623 -0.600 1.00 0.00 C ATOM 1323 CG GLN A 84 -18.554 5.387 -0.919 1.00 0.00 C ATOM 1324 CD GLN A 84 -19.212 6.463 -1.786 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -19.581 7.552 -1.343 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -19.389 6.148 -3.090 1.00 0.00 N ATOM 0 H GLN A 84 -14.165 6.186 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.455 4.880 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.715 4.838 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -16.957 6.568 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.656 4.425 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.102 5.315 0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -19.078 5.243 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -19.833 6.816 -3.720 1.00 0.00 H new