USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 856 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 131 ASN : amide:sc= 0 K(o=-0.019,f=-1.1) USER MOD Set 1.2: A 134 MET CE :methyl 151:sc= -0.0193 (180deg=-0.305) USER MOD Set 2.1: A 17 TYR OH : rot -130:sc= 1.07 USER MOD Set 2.2: A 123 THR OG1 : rot 108:sc= 0.825 USER MOD Set 3.1: A 121 MET CE :methyl -172:sc= -0.898 (180deg=-1.11) USER MOD Set 3.2: A 129 THR OG1 : rot 79:sc= 1.11 USER MOD Set 4.1: A 101 HIS : +bothHN:sc= 0.36 K(o=1.1,f=-5.9!) USER MOD Set 4.2: A 107 GLN : amide:sc= 0.74 K(o=1.1,f=-2.7!) USER MOD Set 5.1: A 31 HIS : no HE2:sc= 0.911 K(o=0.91,f=-3.6!) USER MOD Set 5.2: A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.0876 X(o=0.088,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 136:sc= 2.06 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00529 K(o=-0.0053,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0853 K(o=-0.085,f=-1.5) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 96 THR OG1 : rot -100:sc= -0.266 USER MOD Single : A 100 GLN : amide:sc= 1.19 K(o=1.2,f=-0.91) USER MOD Single : A 114 MET CE :methyl -176:sc= -1.7 (180deg=-1.82) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 130 TYR OH : rot 65:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.687 -1.413 -7.550 1.00 0.00 N ATOM 154 CA LEU A 11 13.605 -0.465 -7.764 1.00 0.00 C ATOM 155 C LEU A 11 12.425 -1.163 -8.424 1.00 0.00 C ATOM 156 O LEU A 11 12.262 -1.109 -9.645 1.00 0.00 O ATOM 157 CB LEU A 11 14.061 0.716 -8.631 1.00 0.00 C ATOM 158 CG LEU A 11 14.973 1.733 -7.936 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.465 2.770 -8.928 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.239 2.410 -6.786 1.00 0.00 C ATOM 0 HA LEU A 11 13.302 -0.076 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.583 0.323 -9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.177 1.238 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 11 15.835 1.201 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.111 3.484 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.025 2.277 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.612 3.295 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.902 3.129 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.360 2.928 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.929 1.659 -6.060 1.00 0.00 H new ATOM 172 N ASN A 12 11.632 -1.860 -7.621 1.00 0.00 N ATOM 173 CA ASN A 12 10.440 -2.526 -8.128 1.00 0.00 C ATOM 174 C ASN A 12 9.437 -1.502 -8.635 1.00 0.00 C ATOM 175 O ASN A 12 8.754 -0.841 -7.856 1.00 0.00 O ATOM 176 CB ASN A 12 9.788 -3.414 -7.062 1.00 0.00 C ATOM 177 CG ASN A 12 10.617 -4.638 -6.727 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.556 -5.654 -7.421 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.373 -4.563 -5.644 1.00 0.00 N ATOM 0 H ASN A 12 11.791 -1.979 -6.621 1.00 0.00 H new ATOM 0 HA ASN A 12 10.750 -3.167 -8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.630 -2.829 -6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.806 -3.731 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.933 -5.365 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.396 -3.703 -5.096 1.00 0.00 H new ATOM 186 N THR A 13 9.384 -1.356 -9.945 1.00 0.00 N ATOM 187 CA THR A 13 8.481 -0.414 -10.576 1.00 0.00 C ATOM 188 C THR A 13 7.379 -1.169 -11.310 1.00 0.00 C ATOM 189 O THR A 13 7.615 -2.263 -11.825 1.00 0.00 O ATOM 190 CB THR A 13 9.248 0.479 -11.574 1.00 0.00 C ATOM 191 OG1 THR A 13 10.498 0.882 -10.998 1.00 0.00 O ATOM 192 CG2 THR A 13 8.439 1.715 -11.945 1.00 0.00 C ATOM 0 H THR A 13 9.962 -1.884 -10.598 1.00 0.00 H new ATOM 0 HA THR A 13 8.039 0.217 -9.805 1.00 0.00 H new ATOM 0 HB THR A 13 9.424 -0.100 -12.481 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.984 1.448 -11.634 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.006 2.323 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.499 1.410 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.232 2.297 -11.047 1.00 0.00 H new ATOM 200 N VAL A 14 6.180 -0.601 -11.336 1.00 0.00 N ATOM 201 CA VAL A 14 5.075 -1.200 -12.067 1.00 0.00 C ATOM 202 C VAL A 14 5.349 -1.124 -13.564 1.00 0.00 C ATOM 203 O VAL A 14 5.340 -0.039 -14.150 1.00 0.00 O ATOM 204 CB VAL A 14 3.734 -0.501 -11.751 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.584 -1.190 -12.471 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.483 -0.465 -10.249 1.00 0.00 C ATOM 0 H VAL A 14 5.950 0.271 -10.860 1.00 0.00 H new ATOM 0 HA VAL A 14 4.993 -2.241 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 14 3.795 0.526 -12.110 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.650 -0.681 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.754 -1.154 -13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.523 -2.229 -12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.533 0.032 -10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.448 -1.483 -9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.288 0.082 -9.759 1.00 0.00 H new ATOM 216 N THR A 15 5.615 -2.271 -14.169 1.00 0.00 N ATOM 217 CA THR A 15 5.974 -2.331 -15.572 1.00 0.00 C ATOM 218 C THR A 15 4.771 -2.068 -16.470 1.00 0.00 C ATOM 219 O THR A 15 4.864 -1.313 -17.438 1.00 0.00 O ATOM 220 CB THR A 15 6.586 -3.697 -15.915 1.00 0.00 C ATOM 221 OG1 THR A 15 6.527 -4.557 -14.767 1.00 0.00 O ATOM 222 CG2 THR A 15 8.030 -3.545 -16.369 1.00 0.00 C ATOM 0 H THR A 15 5.588 -3.178 -13.704 1.00 0.00 H new ATOM 0 HA THR A 15 6.712 -1.550 -15.752 1.00 0.00 H new ATOM 0 HB THR A 15 6.012 -4.137 -16.731 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.225 -5.448 -15.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.442 -4.526 -16.606 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.068 -2.911 -17.255 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.616 -3.089 -15.571 1.00 0.00 H new ATOM 230 N ALA A 16 3.640 -2.682 -16.148 1.00 0.00 N ATOM 231 CA ALA A 16 2.436 -2.500 -16.942 1.00 0.00 C ATOM 232 C ALA A 16 1.203 -2.374 -16.059 1.00 0.00 C ATOM 233 O ALA A 16 0.847 -3.296 -15.323 1.00 0.00 O ATOM 234 CB ALA A 16 2.271 -3.642 -17.935 1.00 0.00 C ATOM 0 H ALA A 16 3.533 -3.306 -15.348 1.00 0.00 H new ATOM 0 HA ALA A 16 2.542 -1.569 -17.499 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.364 -3.488 -18.520 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.132 -3.671 -18.602 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.198 -4.586 -17.395 1.00 0.00 H new ATOM 240 N TYR A 17 0.563 -1.217 -16.126 1.00 0.00 N ATOM 241 CA TYR A 17 -0.680 -0.989 -15.412 1.00 0.00 C ATOM 242 C TYR A 17 -1.673 -0.268 -16.310 1.00 0.00 C ATOM 243 O TYR A 17 -1.297 0.595 -17.105 1.00 0.00 O ATOM 244 CB TYR A 17 -0.443 -0.177 -14.131 1.00 0.00 C ATOM 245 CG TYR A 17 -1.722 0.185 -13.404 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.393 -0.752 -12.625 1.00 0.00 C ATOM 247 CD2 TYR A 17 -2.267 1.459 -13.511 1.00 0.00 C ATOM 248 CE1 TYR A 17 -3.569 -0.428 -11.976 1.00 0.00 C ATOM 249 CE2 TYR A 17 -3.443 1.787 -12.870 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.090 0.843 -12.103 1.00 0.00 C ATOM 251 OH TYR A 17 -5.267 1.169 -11.468 1.00 0.00 O ATOM 0 H TYR A 17 0.887 -0.418 -16.671 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.090 -1.958 -15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.198 -0.749 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.094 0.737 -14.383 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.988 -1.748 -12.526 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.761 2.205 -14.106 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.077 -1.166 -11.373 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.855 2.780 -12.969 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.878 1.591 -12.108 1.00 0.00 H new ATOM 261 N GLY A 18 -2.933 -0.643 -16.187 1.00 0.00 N ATOM 262 CA GLY A 18 -3.985 0.019 -16.919 1.00 0.00 C ATOM 263 C GLY A 18 -5.297 -0.059 -16.177 1.00 0.00 C ATOM 264 O GLY A 18 -5.608 0.802 -15.354 1.00 0.00 O ATOM 0 H GLY A 18 -3.248 -1.404 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.717 1.063 -17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.092 -0.439 -17.902 1.00 0.00 H new ATOM 268 N ASP A 19 -6.055 -1.105 -16.447 1.00 0.00 N ATOM 269 CA ASP A 19 -7.306 -1.336 -15.748 1.00 0.00 C ATOM 270 C ASP A 19 -7.512 -2.829 -15.546 1.00 0.00 C ATOM 271 O ASP A 19 -7.246 -3.624 -16.447 1.00 0.00 O ATOM 272 CB ASP A 19 -8.474 -0.731 -16.528 1.00 0.00 C ATOM 273 CG ASP A 19 -9.766 -0.760 -15.742 1.00 0.00 C ATOM 274 OD1 ASP A 19 -9.748 -0.364 -14.558 1.00 0.00 O ATOM 275 OD2 ASP A 19 -10.802 -1.178 -16.302 1.00 0.00 O ATOM 0 H ASP A 19 -5.826 -1.810 -17.147 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.264 -0.851 -14.773 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.236 0.299 -16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.607 -1.278 -17.461 1.00 0.00 H new ATOM 280 N GLY A 20 -7.958 -3.207 -14.359 1.00 0.00 N ATOM 281 CA GLY A 20 -8.143 -4.610 -14.050 1.00 0.00 C ATOM 282 C GLY A 20 -7.043 -5.154 -13.155 1.00 0.00 C ATOM 283 O GLY A 20 -7.137 -5.079 -11.930 1.00 0.00 O ATOM 0 H GLY A 20 -8.196 -2.566 -13.602 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.107 -4.748 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.171 -5.183 -14.977 1.00 0.00 H new ATOM 287 N TYR A 21 -5.990 -5.683 -13.768 1.00 0.00 N ATOM 288 CA TYR A 21 -4.902 -6.298 -13.015 1.00 0.00 C ATOM 289 C TYR A 21 -3.622 -5.470 -13.129 1.00 0.00 C ATOM 290 O TYR A 21 -3.588 -4.457 -13.831 1.00 0.00 O ATOM 291 CB TYR A 21 -4.652 -7.731 -13.506 1.00 0.00 C ATOM 292 CG TYR A 21 -4.196 -7.827 -14.946 1.00 0.00 C ATOM 293 CD1 TYR A 21 -5.115 -7.907 -15.984 1.00 0.00 C ATOM 294 CD2 TYR A 21 -2.843 -7.846 -15.264 1.00 0.00 C ATOM 295 CE1 TYR A 21 -4.699 -8.002 -17.298 1.00 0.00 C ATOM 296 CE2 TYR A 21 -2.420 -7.938 -16.576 1.00 0.00 C ATOM 297 CZ TYR A 21 -3.350 -8.017 -17.588 1.00 0.00 C ATOM 298 OH TYR A 21 -2.932 -8.111 -18.895 1.00 0.00 O ATOM 0 H TYR A 21 -5.866 -5.699 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.195 -6.332 -11.966 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.900 -8.195 -12.868 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.569 -8.308 -13.389 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.172 -7.895 -15.761 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.110 -7.788 -14.473 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.426 -8.064 -18.094 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.365 -7.948 -16.807 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.953 -8.108 -18.926 1.00 0.00 H new ATOM 308 N ILE A 22 -2.575 -5.915 -12.440 1.00 0.00 N ATOM 309 CA ILE A 22 -1.315 -5.186 -12.398 1.00 0.00 C ATOM 310 C ILE A 22 -0.150 -6.112 -12.747 1.00 0.00 C ATOM 311 O ILE A 22 -0.095 -7.250 -12.280 1.00 0.00 O ATOM 312 CB ILE A 22 -1.080 -4.578 -10.997 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.297 -3.753 -10.570 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.173 -3.712 -10.987 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.225 -3.254 -9.145 1.00 0.00 C ATOM 0 H ILE A 22 -2.577 -6.781 -11.901 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.370 -4.381 -13.131 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.938 -5.393 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.399 -2.899 -11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.195 -4.359 -10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.319 -3.294 -9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.037 -4.319 -11.256 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.061 -2.902 -11.707 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.122 -2.678 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.155 -4.103 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.346 -2.620 -9.025 1.00 0.00 H new ATOM 327 N GLU A 23 0.767 -5.629 -13.575 1.00 0.00 N ATOM 328 CA GLU A 23 1.942 -6.402 -13.949 1.00 0.00 C ATOM 329 C GLU A 23 3.200 -5.725 -13.418 1.00 0.00 C ATOM 330 O GLU A 23 3.481 -4.567 -13.743 1.00 0.00 O ATOM 331 CB GLU A 23 2.000 -6.561 -15.475 1.00 0.00 C ATOM 332 CG GLU A 23 3.100 -7.490 -15.978 1.00 0.00 C ATOM 333 CD GLU A 23 4.418 -6.784 -16.230 1.00 0.00 C ATOM 334 OE1 GLU A 23 4.608 -6.258 -17.343 1.00 0.00 O ATOM 335 OE2 GLU A 23 5.273 -6.760 -15.326 1.00 0.00 O ATOM 0 H GLU A 23 0.719 -4.703 -14.001 1.00 0.00 H new ATOM 0 HA GLU A 23 1.878 -7.396 -13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.038 -6.937 -15.824 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.140 -5.578 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.256 -8.284 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.769 -7.966 -16.901 1.00 0.00 H new ATOM 342 N VAL A 24 3.942 -6.446 -12.587 1.00 0.00 N ATOM 343 CA VAL A 24 5.173 -5.930 -12.010 1.00 0.00 C ATOM 344 C VAL A 24 6.310 -6.930 -12.205 1.00 0.00 C ATOM 345 O VAL A 24 6.245 -8.059 -11.713 1.00 0.00 O ATOM 346 CB VAL A 24 5.019 -5.619 -10.502 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.315 -5.061 -9.930 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.871 -4.648 -10.261 1.00 0.00 C ATOM 0 H VAL A 24 3.709 -7.396 -12.297 1.00 0.00 H new ATOM 0 HA VAL A 24 5.405 -4.999 -12.528 1.00 0.00 H new ATOM 0 HB VAL A 24 4.790 -6.553 -9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.183 -4.850 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.114 -5.792 -10.058 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.577 -4.141 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.784 -4.446 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.065 -3.716 -10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.941 -5.086 -10.624 1.00 0.00 H new ATOM 358 N ASN A 25 7.332 -6.506 -12.945 1.00 0.00 N ATOM 359 CA ASN A 25 8.534 -7.309 -13.177 1.00 0.00 C ATOM 360 C ASN A 25 8.189 -8.576 -13.967 1.00 0.00 C ATOM 361 O ASN A 25 8.537 -9.691 -13.570 1.00 0.00 O ATOM 362 CB ASN A 25 9.213 -7.660 -11.843 1.00 0.00 C ATOM 363 CG ASN A 25 10.683 -8.023 -11.994 1.00 0.00 C ATOM 364 OD1 ASN A 25 11.119 -8.520 -13.031 1.00 0.00 O ATOM 365 ND2 ASN A 25 11.461 -7.772 -10.949 1.00 0.00 N ATOM 0 H ASN A 25 7.352 -5.594 -13.402 1.00 0.00 H new ATOM 0 HA ASN A 25 9.235 -6.721 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.123 -6.813 -11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.685 -8.495 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.456 -7.992 -10.990 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.064 -7.359 -10.105 1.00 0.00 H new ATOM 372 N GLN A 26 7.460 -8.374 -15.067 1.00 0.00 N ATOM 373 CA GLN A 26 7.146 -9.432 -16.035 1.00 0.00 C ATOM 374 C GLN A 26 6.201 -10.480 -15.456 1.00 0.00 C ATOM 375 O GLN A 26 6.082 -11.584 -15.989 1.00 0.00 O ATOM 376 CB GLN A 26 8.423 -10.097 -16.564 1.00 0.00 C ATOM 377 CG GLN A 26 9.326 -9.148 -17.335 1.00 0.00 C ATOM 378 CD GLN A 26 10.386 -9.864 -18.149 1.00 0.00 C ATOM 379 OE1 GLN A 26 10.845 -10.952 -17.793 1.00 0.00 O ATOM 380 NE2 GLN A 26 10.780 -9.257 -19.257 1.00 0.00 N ATOM 0 H GLN A 26 7.067 -7.466 -15.314 1.00 0.00 H new ATOM 0 HA GLN A 26 6.633 -8.952 -16.869 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.980 -10.515 -15.725 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.148 -10.930 -17.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.717 -8.537 -18.001 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.812 -8.469 -16.634 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.376 -8.357 -19.517 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.488 -9.689 -19.851 1.00 0.00 H new ATOM 389 N VAL A 27 5.514 -10.129 -14.380 1.00 0.00 N ATOM 390 CA VAL A 27 4.542 -11.024 -13.776 1.00 0.00 C ATOM 391 C VAL A 27 3.216 -10.303 -13.587 1.00 0.00 C ATOM 392 O VAL A 27 3.148 -9.272 -12.917 1.00 0.00 O ATOM 393 CB VAL A 27 5.028 -11.587 -12.419 1.00 0.00 C ATOM 394 CG1 VAL A 27 3.968 -12.481 -11.792 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.332 -12.355 -12.592 1.00 0.00 C ATOM 0 H VAL A 27 5.612 -9.230 -13.908 1.00 0.00 H new ATOM 0 HA VAL A 27 4.413 -11.867 -14.455 1.00 0.00 H new ATOM 0 HB VAL A 27 5.207 -10.745 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.333 -12.865 -10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.058 -11.905 -11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.753 -13.315 -12.461 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.657 -12.743 -11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.177 -13.184 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.097 -11.689 -12.991 1.00 0.00 H new ATOM 405 N ARG A 28 2.171 -10.839 -14.197 1.00 0.00 N ATOM 406 CA ARG A 28 0.849 -10.244 -14.102 1.00 0.00 C ATOM 407 C ARG A 28 0.126 -10.797 -12.884 1.00 0.00 C ATOM 408 O ARG A 28 -0.230 -11.975 -12.840 1.00 0.00 O ATOM 409 CB ARG A 28 0.047 -10.525 -15.376 1.00 0.00 C ATOM 410 CG ARG A 28 0.753 -10.084 -16.647 1.00 0.00 C ATOM 411 CD ARG A 28 -0.067 -10.398 -17.890 1.00 0.00 C ATOM 412 NE ARG A 28 -0.383 -11.820 -17.996 1.00 0.00 N ATOM 413 CZ ARG A 28 0.018 -12.598 -19.001 1.00 0.00 C ATOM 414 NH1 ARG A 28 0.775 -12.102 -19.970 1.00 0.00 N ATOM 415 NH2 ARG A 28 -0.337 -13.874 -19.039 1.00 0.00 N ATOM 0 H ARG A 28 2.214 -11.686 -14.764 1.00 0.00 H new ATOM 0 HA ARG A 28 0.950 -9.164 -13.993 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.160 -11.593 -15.437 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.915 -10.017 -15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.947 -9.012 -16.601 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.721 -10.581 -16.716 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.992 -9.822 -17.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.484 -10.083 -18.776 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.944 -12.243 -17.257 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.053 -11.121 -19.948 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.079 -12.702 -20.737 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.919 -14.264 -18.298 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.028 -14.467 -19.810 1.00 0.00 H new ATOM 429 N PHE A 29 -0.072 -9.947 -11.892 1.00 0.00 N ATOM 430 CA PHE A 29 -0.668 -10.367 -10.636 1.00 0.00 C ATOM 431 C PHE A 29 -2.181 -10.206 -10.669 1.00 0.00 C ATOM 432 O PHE A 29 -2.697 -9.093 -10.763 1.00 0.00 O ATOM 433 CB PHE A 29 -0.089 -9.560 -9.470 1.00 0.00 C ATOM 434 CG PHE A 29 1.389 -9.747 -9.275 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.874 -10.840 -8.577 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.292 -8.829 -9.788 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.233 -11.016 -8.392 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.652 -8.999 -9.605 1.00 0.00 C ATOM 439 CZ PHE A 29 4.122 -10.094 -8.906 1.00 0.00 C ATOM 0 H PHE A 29 0.172 -8.958 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.433 -11.422 -10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.293 -8.502 -9.637 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.605 -9.844 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.182 -11.564 -8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.930 -7.972 -10.336 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.598 -11.873 -7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.346 -8.276 -10.008 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.184 -10.228 -8.762 1.00 0.00 H new ATOM 449 N SER A 30 -2.886 -11.324 -10.600 1.00 0.00 N ATOM 450 CA SER A 30 -4.339 -11.312 -10.525 1.00 0.00 C ATOM 451 C SER A 30 -4.792 -11.341 -9.065 1.00 0.00 C ATOM 452 O SER A 30 -5.865 -11.849 -8.738 1.00 0.00 O ATOM 453 CB SER A 30 -4.905 -12.512 -11.282 1.00 0.00 C ATOM 454 OG SER A 30 -4.379 -12.572 -12.597 1.00 0.00 O ATOM 0 H SER A 30 -2.473 -12.257 -10.594 1.00 0.00 H new ATOM 0 HA SER A 30 -4.713 -10.397 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.665 -13.431 -10.747 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.992 -12.442 -11.323 1.00 0.00 H new ATOM 0 HG SER A 30 -4.753 -13.348 -13.064 1.00 0.00 H new ATOM 460 N HIS A 31 -3.959 -10.789 -8.192 1.00 0.00 N ATOM 461 CA HIS A 31 -4.263 -10.711 -6.770 1.00 0.00 C ATOM 462 C HIS A 31 -3.548 -9.514 -6.162 1.00 0.00 C ATOM 463 O HIS A 31 -2.670 -8.933 -6.799 1.00 0.00 O ATOM 464 CB HIS A 31 -3.867 -12.001 -6.027 1.00 0.00 C ATOM 465 CG HIS A 31 -2.407 -12.355 -6.102 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.418 -11.645 -5.455 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.776 -13.371 -6.738 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.249 -12.209 -5.691 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.434 -13.260 -6.465 1.00 0.00 N ATOM 0 H HIS A 31 -3.058 -10.385 -8.448 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.341 -10.591 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.147 -11.899 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.448 -12.829 -6.433 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -1.567 -10.814 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.243 -14.130 -7.348 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.703 -11.866 -5.313 1.00 0.00 H new ATOM 478 N ALA A 32 -3.914 -9.163 -4.940 1.00 0.00 N ATOM 479 CA ALA A 32 -3.320 -8.018 -4.261 1.00 0.00 C ATOM 480 C ALA A 32 -1.835 -8.239 -4.003 1.00 0.00 C ATOM 481 O ALA A 32 -1.390 -9.375 -3.792 1.00 0.00 O ATOM 482 CB ALA A 32 -4.049 -7.741 -2.959 1.00 0.00 C ATOM 0 H ALA A 32 -4.622 -9.655 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.421 -7.150 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.595 -6.883 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.097 -7.526 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.980 -8.614 -2.310 1.00 0.00 H new ATOM 488 N ILE A 33 -1.075 -7.155 -4.035 1.00 0.00 N ATOM 489 CA ILE A 33 0.366 -7.213 -3.836 1.00 0.00 C ATOM 490 C ILE A 33 0.851 -6.036 -3.003 1.00 0.00 C ATOM 491 O ILE A 33 0.311 -4.931 -3.097 1.00 0.00 O ATOM 492 CB ILE A 33 1.133 -7.221 -5.177 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.621 -6.105 -6.099 1.00 0.00 C ATOM 494 CG2 ILE A 33 1.018 -8.581 -5.849 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.360 -6.008 -7.418 1.00 0.00 C ATOM 0 H ILE A 33 -1.436 -6.215 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 33 0.567 -8.145 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 33 2.187 -7.032 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.438 -6.270 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.702 -5.151 -5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.564 -8.568 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.439 -9.346 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.031 -8.805 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.939 -5.197 -8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.415 -5.811 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.258 -6.947 -7.962 1.00 0.00 H new ATOM 507 N ALA A 34 1.857 -6.288 -2.186 1.00 0.00 N ATOM 508 CA ALA A 34 2.492 -5.252 -1.391 1.00 0.00 C ATOM 509 C ALA A 34 4.002 -5.368 -1.521 1.00 0.00 C ATOM 510 O ALA A 34 4.572 -6.425 -1.250 1.00 0.00 O ATOM 511 CB ALA A 34 2.070 -5.362 0.067 1.00 0.00 C ATOM 0 H ALA A 34 2.257 -7.217 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 34 2.176 -4.276 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.556 -4.577 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.988 -5.251 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.363 -6.336 0.458 1.00 0.00 H new ATOM 517 N PHE A 35 4.651 -4.300 -1.957 1.00 0.00 N ATOM 518 CA PHE A 35 6.088 -4.346 -2.188 1.00 0.00 C ATOM 519 C PHE A 35 6.736 -2.977 -2.021 1.00 0.00 C ATOM 520 O PHE A 35 6.064 -1.940 -2.047 1.00 0.00 O ATOM 521 CB PHE A 35 6.392 -4.914 -3.583 1.00 0.00 C ATOM 522 CG PHE A 35 5.810 -4.127 -4.728 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.501 -4.330 -5.134 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.581 -3.196 -5.407 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.971 -3.617 -6.193 1.00 0.00 C ATOM 526 CE2 PHE A 35 6.054 -2.481 -6.465 1.00 0.00 C ATOM 527 CZ PHE A 35 4.749 -2.692 -6.859 1.00 0.00 C ATOM 0 H PHE A 35 4.213 -3.401 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 35 6.517 -5.006 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.473 -4.967 -3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.014 -5.935 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.888 -5.053 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.604 -3.028 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.949 -3.784 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.664 -1.756 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.337 -2.134 -7.687 1.00 0.00 H new ATOM 537 N ALA A 36 8.050 -2.994 -1.849 1.00 0.00 N ATOM 538 CA ALA A 36 8.838 -1.780 -1.705 1.00 0.00 C ATOM 539 C ALA A 36 9.890 -1.719 -2.810 1.00 0.00 C ATOM 540 O ALA A 36 10.289 -2.758 -3.336 1.00 0.00 O ATOM 541 CB ALA A 36 9.490 -1.742 -0.330 1.00 0.00 C ATOM 0 H ALA A 36 8.600 -3.852 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 36 8.188 -0.910 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.078 -0.830 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.718 -1.761 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.141 -2.608 -0.212 1.00 0.00 H new ATOM 547 N PRO A 37 10.360 -0.510 -3.174 1.00 0.00 N ATOM 548 CA PRO A 37 11.332 -0.332 -4.256 1.00 0.00 C ATOM 549 C PRO A 37 12.576 -1.193 -4.054 1.00 0.00 C ATOM 550 O PRO A 37 12.903 -2.033 -4.892 1.00 0.00 O ATOM 551 CB PRO A 37 11.691 1.161 -4.199 1.00 0.00 C ATOM 552 CG PRO A 37 11.150 1.657 -2.899 1.00 0.00 C ATOM 553 CD PRO A 37 9.982 0.774 -2.570 1.00 0.00 C ATOM 0 HA PRO A 37 10.923 -0.636 -5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.770 1.307 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.252 1.702 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.908 1.608 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.841 2.699 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.833 0.686 -1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.053 1.160 -2.990 1.00 0.00 H new ATOM 561 N GLU A 38 13.239 -1.002 -2.922 1.00 0.00 N ATOM 562 CA GLU A 38 14.433 -1.766 -2.585 1.00 0.00 C ATOM 563 C GLU A 38 14.076 -2.947 -1.687 1.00 0.00 C ATOM 564 O GLU A 38 14.903 -3.418 -0.906 1.00 0.00 O ATOM 565 CB GLU A 38 15.451 -0.863 -1.882 1.00 0.00 C ATOM 566 CG GLU A 38 15.986 0.252 -2.766 1.00 0.00 C ATOM 567 CD GLU A 38 16.935 1.178 -2.035 1.00 0.00 C ATOM 568 OE1 GLU A 38 18.076 0.766 -1.745 1.00 0.00 O ATOM 569 OE2 GLU A 38 16.536 2.320 -1.735 1.00 0.00 O ATOM 0 H GLU A 38 12.967 -0.318 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 38 14.872 -2.150 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.987 -0.424 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.285 -1.472 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.500 -0.185 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.150 0.832 -3.157 1.00 0.00 H new ATOM 576 N GLY A 39 12.849 -3.432 -1.817 1.00 0.00 N ATOM 577 CA GLY A 39 12.389 -4.523 -0.983 1.00 0.00 C ATOM 578 C GLY A 39 11.814 -5.664 -1.796 1.00 0.00 C ATOM 579 O GLY A 39 11.909 -5.660 -3.023 1.00 0.00 O ATOM 0 H GLY A 39 12.162 -3.088 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.219 -4.891 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.631 -4.154 -0.291 1.00 0.00 H new ATOM 583 N PRO A 40 11.217 -6.665 -1.134 1.00 0.00 N ATOM 584 CA PRO A 40 10.624 -7.815 -1.807 1.00 0.00 C ATOM 585 C PRO A 40 9.174 -7.569 -2.222 1.00 0.00 C ATOM 586 O PRO A 40 8.582 -6.544 -1.876 1.00 0.00 O ATOM 587 CB PRO A 40 10.696 -8.895 -0.730 1.00 0.00 C ATOM 588 CG PRO A 40 10.535 -8.154 0.556 1.00 0.00 C ATOM 589 CD PRO A 40 11.089 -6.766 0.332 1.00 0.00 C ATOM 0 HA PRO A 40 11.137 -8.066 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.910 -9.638 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.647 -9.427 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.486 -8.109 0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.069 -8.658 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.421 -6.001 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.052 -6.636 0.827 1.00 0.00 H new ATOM 597 N VAL A 41 8.609 -8.516 -2.959 1.00 0.00 N ATOM 598 CA VAL A 41 7.217 -8.435 -3.381 1.00 0.00 C ATOM 599 C VAL A 41 6.384 -9.466 -2.629 1.00 0.00 C ATOM 600 O VAL A 41 6.569 -10.672 -2.801 1.00 0.00 O ATOM 601 CB VAL A 41 7.063 -8.665 -4.902 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.611 -8.507 -5.330 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.957 -7.714 -5.684 1.00 0.00 C ATOM 0 H VAL A 41 9.096 -9.353 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 41 6.864 -7.430 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 41 7.374 -9.686 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.528 -8.673 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.995 -9.234 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.269 -7.500 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.833 -7.893 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.682 -6.685 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.998 -7.882 -5.407 1.00 0.00 H new ATOM 613 N ALA A 42 5.476 -8.995 -1.790 1.00 0.00 N ATOM 614 CA ALA A 42 4.660 -9.881 -0.979 1.00 0.00 C ATOM 615 C ALA A 42 3.231 -9.940 -1.498 1.00 0.00 C ATOM 616 O ALA A 42 2.627 -8.914 -1.813 1.00 0.00 O ATOM 617 CB ALA A 42 4.676 -9.434 0.475 1.00 0.00 C ATOM 0 H ALA A 42 5.286 -8.002 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 42 5.085 -10.883 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.060 -10.108 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.699 -9.452 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.280 -8.421 0.549 1.00 0.00 H new ATOM 623 N SER A 43 2.705 -11.150 -1.605 1.00 0.00 N ATOM 624 CA SER A 43 1.328 -11.348 -2.011 1.00 0.00 C ATOM 625 C SER A 43 0.387 -11.031 -0.852 1.00 0.00 C ATOM 626 O SER A 43 0.512 -11.601 0.234 1.00 0.00 O ATOM 627 CB SER A 43 1.129 -12.789 -2.486 1.00 0.00 C ATOM 628 OG SER A 43 1.953 -13.068 -3.605 1.00 0.00 O ATOM 0 H SER A 43 3.216 -12.012 -1.415 1.00 0.00 H new ATOM 0 HA SER A 43 1.098 -10.673 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.362 -13.479 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.083 -12.949 -2.750 1.00 0.00 H new ATOM 0 HG SER A 43 1.812 -13.994 -3.892 1.00 0.00 H new ATOM 634 N TRP A 44 -0.545 -10.123 -1.084 1.00 0.00 N ATOM 635 CA TRP A 44 -1.468 -9.692 -0.047 1.00 0.00 C ATOM 636 C TRP A 44 -2.790 -10.436 -0.200 1.00 0.00 C ATOM 637 O TRP A 44 -3.379 -10.447 -1.283 1.00 0.00 O ATOM 638 CB TRP A 44 -1.673 -8.175 -0.131 1.00 0.00 C ATOM 639 CG TRP A 44 -1.932 -7.519 1.192 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.353 -7.828 2.390 1.00 0.00 C ATOM 641 CD2 TRP A 44 -2.808 -6.413 1.445 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.830 -6.997 3.374 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.723 -6.120 2.819 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.661 -5.648 0.646 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.457 -5.094 3.409 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.388 -4.630 1.232 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.282 -4.360 2.601 1.00 0.00 C ATOM 0 H TRP A 44 -0.683 -9.668 -1.986 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.055 -9.924 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.789 -7.724 -0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.511 -7.969 -0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.626 -8.612 2.541 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.563 -7.028 4.358 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.751 -5.849 -0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.378 -4.885 4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.050 -4.032 0.623 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.863 -3.556 3.028 1.00 0.00 H new ATOM 658 N PRO A 45 -3.261 -11.089 0.871 1.00 0.00 N ATOM 659 CA PRO A 45 -4.454 -11.933 0.840 1.00 0.00 C ATOM 660 C PRO A 45 -5.753 -11.142 0.997 1.00 0.00 C ATOM 661 O PRO A 45 -6.829 -11.725 1.153 1.00 0.00 O ATOM 662 CB PRO A 45 -4.264 -12.875 2.038 1.00 0.00 C ATOM 663 CG PRO A 45 -3.005 -12.442 2.728 1.00 0.00 C ATOM 664 CD PRO A 45 -2.664 -11.078 2.207 1.00 0.00 C ATOM 0 HA PRO A 45 -4.550 -12.443 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.116 -12.818 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.188 -13.911 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.147 -12.417 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.195 -13.144 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.083 -10.289 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.587 -10.916 2.168 1.00 0.00 H new ATOM 672 N VAL A 46 -5.652 -9.824 0.960 1.00 0.00 N ATOM 673 CA VAL A 46 -6.824 -8.971 1.077 1.00 0.00 C ATOM 674 C VAL A 46 -7.368 -8.656 -0.309 1.00 0.00 C ATOM 675 O VAL A 46 -6.608 -8.375 -1.228 1.00 0.00 O ATOM 676 CB VAL A 46 -6.497 -7.659 1.820 1.00 0.00 C ATOM 677 CG1 VAL A 46 -7.746 -6.808 2.008 1.00 0.00 C ATOM 678 CG2 VAL A 46 -5.852 -7.960 3.162 1.00 0.00 C ATOM 0 H VAL A 46 -4.771 -9.321 0.850 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.576 -9.507 1.657 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.793 -7.091 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.485 -5.890 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.168 -6.560 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.481 -7.364 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.627 -7.025 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.536 -8.552 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.930 -8.519 3.005 1.00 0.00 H new ATOM 688 N GLN A 47 -8.681 -8.736 -0.461 1.00 0.00 N ATOM 689 CA GLN A 47 -9.307 -8.503 -1.755 1.00 0.00 C ATOM 690 C GLN A 47 -10.298 -7.348 -1.685 1.00 0.00 C ATOM 691 O GLN A 47 -10.266 -6.435 -2.510 1.00 0.00 O ATOM 692 CB GLN A 47 -10.012 -9.775 -2.230 1.00 0.00 C ATOM 693 CG GLN A 47 -9.069 -10.949 -2.433 1.00 0.00 C ATOM 694 CD GLN A 47 -9.792 -12.227 -2.807 1.00 0.00 C ATOM 695 OE1 GLN A 47 -10.938 -12.448 -2.413 1.00 0.00 O ATOM 696 NE2 GLN A 47 -9.123 -13.078 -3.567 1.00 0.00 N ATOM 0 H GLN A 47 -9.332 -8.959 0.292 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.528 -8.236 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.774 -10.053 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.528 -9.567 -3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.351 -10.701 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.500 -11.114 -1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.175 -12.854 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.555 -13.958 -3.849 1.00 0.00 H new ATOM 705 N ARG A 48 -11.170 -7.378 -0.688 1.00 0.00 N ATOM 706 CA ARG A 48 -12.213 -6.375 -0.572 1.00 0.00 C ATOM 707 C ARG A 48 -11.754 -5.230 0.326 1.00 0.00 C ATOM 708 O ARG A 48 -11.102 -5.457 1.347 1.00 0.00 O ATOM 709 CB ARG A 48 -13.501 -7.003 -0.030 1.00 0.00 C ATOM 710 CG ARG A 48 -13.851 -8.329 -0.689 1.00 0.00 C ATOM 711 CD ARG A 48 -15.308 -8.711 -0.464 1.00 0.00 C ATOM 712 NE ARG A 48 -15.636 -10.034 -1.017 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.482 -10.384 -2.301 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.003 -9.517 -3.180 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.818 -11.604 -2.708 1.00 0.00 N ATOM 0 H ARG A 48 -11.175 -8.084 0.048 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.418 -5.972 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.398 -7.156 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.326 -6.305 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.654 -8.265 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.205 -9.113 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.521 -8.705 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.952 -7.960 -0.922 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.008 -10.736 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.749 -8.576 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.889 -9.791 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.195 -12.278 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.699 -11.866 -3.687 1.00 0.00 H new ATOM 729 N PRO A 49 -12.086 -3.982 -0.046 1.00 0.00 N ATOM 730 CA PRO A 49 -11.689 -2.785 0.709 1.00 0.00 C ATOM 731 C PRO A 49 -12.359 -2.710 2.081 1.00 0.00 C ATOM 732 O PRO A 49 -12.005 -1.870 2.912 1.00 0.00 O ATOM 733 CB PRO A 49 -12.152 -1.617 -0.174 1.00 0.00 C ATOM 734 CG PRO A 49 -12.433 -2.219 -1.510 1.00 0.00 C ATOM 735 CD PRO A 49 -12.861 -3.632 -1.243 1.00 0.00 C ATOM 0 HA PRO A 49 -10.618 -2.780 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.042 -1.142 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.383 -0.848 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.215 -1.666 -2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.547 -2.193 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.934 -3.704 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.631 -4.290 -2.081 1.00 0.00 H new ATOM 743 N ALA A 50 -13.331 -3.581 2.304 1.00 0.00 N ATOM 744 CA ALA A 50 -14.014 -3.672 3.588 1.00 0.00 C ATOM 745 C ALA A 50 -13.390 -4.754 4.464 1.00 0.00 C ATOM 746 O ALA A 50 -13.887 -5.055 5.551 1.00 0.00 O ATOM 747 CB ALA A 50 -15.496 -3.946 3.381 1.00 0.00 C ATOM 0 H ALA A 50 -13.668 -4.242 1.605 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.903 -2.716 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.993 -4.011 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.938 -3.136 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.621 -4.887 2.845 1.00 0.00 H new ATOM 753 N ASP A 51 -12.302 -5.346 3.985 1.00 0.00 N ATOM 754 CA ASP A 51 -11.613 -6.399 4.726 1.00 0.00 C ATOM 755 C ASP A 51 -10.271 -5.912 5.248 1.00 0.00 C ATOM 756 O ASP A 51 -9.543 -6.655 5.907 1.00 0.00 O ATOM 757 CB ASP A 51 -11.399 -7.632 3.841 1.00 0.00 C ATOM 758 CG ASP A 51 -12.668 -8.431 3.628 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.611 -7.910 3.000 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.722 -9.594 4.075 1.00 0.00 O ATOM 0 H ASP A 51 -11.877 -5.116 3.087 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.243 -6.670 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.008 -7.316 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.644 -8.273 4.296 1.00 0.00 H new ATOM 765 N ILE A 52 -9.952 -4.656 4.964 1.00 0.00 N ATOM 766 CA ILE A 52 -8.671 -4.082 5.352 1.00 0.00 C ATOM 767 C ILE A 52 -8.641 -3.796 6.852 1.00 0.00 C ATOM 768 O ILE A 52 -9.529 -3.135 7.384 1.00 0.00 O ATOM 769 CB ILE A 52 -8.379 -2.778 4.576 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.435 -3.037 3.066 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.021 -2.214 4.973 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.231 -1.796 2.222 1.00 0.00 C ATOM 0 H ILE A 52 -10.566 -4.013 4.464 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.901 -4.813 5.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.142 -2.042 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.673 -3.771 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.401 -3.478 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.832 -1.296 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.015 -1.999 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.243 -2.943 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.284 -2.061 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.008 -1.067 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.254 -1.365 2.439 1.00 0.00 H new ATOM 784 N THR A 53 -7.621 -4.306 7.525 1.00 0.00 N ATOM 785 CA THR A 53 -7.483 -4.129 8.962 1.00 0.00 C ATOM 786 C THR A 53 -6.035 -3.753 9.298 1.00 0.00 C ATOM 787 O THR A 53 -5.124 -4.043 8.518 1.00 0.00 O ATOM 788 CB THR A 53 -7.898 -5.419 9.707 1.00 0.00 C ATOM 789 OG1 THR A 53 -9.165 -5.878 9.209 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.009 -5.187 11.208 1.00 0.00 C ATOM 0 H THR A 53 -6.872 -4.849 7.095 1.00 0.00 H new ATOM 0 HA THR A 53 -8.142 -3.324 9.287 1.00 0.00 H new ATOM 0 HB THR A 53 -7.127 -6.169 9.530 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.425 -6.696 9.681 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.302 -6.115 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.045 -4.859 11.598 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.759 -4.420 11.403 1.00 0.00 H new ATOM 798 N ALA A 54 -5.836 -3.107 10.449 1.00 0.00 N ATOM 799 CA ALA A 54 -4.524 -2.594 10.855 1.00 0.00 C ATOM 800 C ALA A 54 -3.425 -3.656 10.778 1.00 0.00 C ATOM 801 O ALA A 54 -2.365 -3.411 10.204 1.00 0.00 O ATOM 802 CB ALA A 54 -4.603 -2.029 12.265 1.00 0.00 C ATOM 0 H ALA A 54 -6.578 -2.925 11.125 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.256 -1.806 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.625 -1.650 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.330 -1.217 12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.911 -2.815 12.955 1.00 0.00 H new ATOM 808 N SER A 55 -3.684 -4.827 11.349 1.00 0.00 N ATOM 809 CA SER A 55 -2.705 -5.915 11.372 1.00 0.00 C ATOM 810 C SER A 55 -2.271 -6.301 9.957 1.00 0.00 C ATOM 811 O SER A 55 -1.100 -6.593 9.712 1.00 0.00 O ATOM 812 CB SER A 55 -3.306 -7.127 12.079 1.00 0.00 C ATOM 813 OG SER A 55 -3.887 -6.752 13.315 1.00 0.00 O ATOM 0 H SER A 55 -4.568 -5.051 11.806 1.00 0.00 H new ATOM 0 HA SER A 55 -1.823 -5.572 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.061 -7.588 11.442 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.532 -7.876 12.248 1.00 0.00 H new ATOM 0 HG SER A 55 -4.268 -7.543 13.751 1.00 0.00 H new ATOM 819 N LEU A 56 -3.219 -6.277 9.028 1.00 0.00 N ATOM 820 CA LEU A 56 -2.945 -6.637 7.641 1.00 0.00 C ATOM 821 C LEU A 56 -2.016 -5.613 6.998 1.00 0.00 C ATOM 822 O LEU A 56 -1.177 -5.955 6.163 1.00 0.00 O ATOM 823 CB LEU A 56 -4.254 -6.728 6.854 1.00 0.00 C ATOM 824 CG LEU A 56 -5.262 -7.740 7.397 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.578 -7.636 6.643 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.702 -9.152 7.302 1.00 0.00 C ATOM 0 H LEU A 56 -4.187 -6.011 9.210 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.453 -7.610 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.721 -5.743 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.023 -6.986 5.821 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.448 -7.514 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.285 -8.364 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.986 -6.632 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.408 -7.838 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.433 -9.860 7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.488 -9.389 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.784 -9.219 7.885 1.00 0.00 H new ATOM 838 N LEU A 57 -2.169 -4.359 7.405 1.00 0.00 N ATOM 839 CA LEU A 57 -1.327 -3.281 6.909 1.00 0.00 C ATOM 840 C LEU A 57 0.064 -3.360 7.529 1.00 0.00 C ATOM 841 O LEU A 57 1.059 -3.047 6.879 1.00 0.00 O ATOM 842 CB LEU A 57 -1.964 -1.924 7.212 1.00 0.00 C ATOM 843 CG LEU A 57 -3.303 -1.664 6.518 1.00 0.00 C ATOM 844 CD1 LEU A 57 -3.890 -0.337 6.971 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.132 -1.682 5.006 1.00 0.00 C ATOM 0 H LEU A 57 -2.873 -4.064 8.081 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.232 -3.389 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.109 -1.841 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.265 -1.139 6.923 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.995 -2.459 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.842 -0.169 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.049 -0.359 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.201 0.470 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.094 -1.495 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.424 -0.908 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.755 -2.656 4.694 1.00 0.00 H new ATOM 857 N GLN A 58 0.126 -3.787 8.786 1.00 0.00 N ATOM 858 CA GLN A 58 1.403 -3.980 9.468 1.00 0.00 C ATOM 859 C GLN A 58 2.226 -5.047 8.759 1.00 0.00 C ATOM 860 O GLN A 58 3.437 -4.899 8.578 1.00 0.00 O ATOM 861 CB GLN A 58 1.181 -4.376 10.929 1.00 0.00 C ATOM 862 CG GLN A 58 0.539 -3.282 11.771 1.00 0.00 C ATOM 863 CD GLN A 58 0.265 -3.731 13.194 1.00 0.00 C ATOM 864 OE1 GLN A 58 0.002 -4.903 13.445 1.00 0.00 O ATOM 865 NE2 GLN A 58 0.329 -2.800 14.135 1.00 0.00 N ATOM 0 H GLN A 58 -0.692 -4.006 9.354 1.00 0.00 H new ATOM 0 HA GLN A 58 1.949 -3.037 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.551 -5.265 10.963 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.139 -4.647 11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.193 -2.410 11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.396 -2.971 11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.551 -1.836 13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.156 -3.047 15.109 1.00 0.00 H new ATOM 874 N GLN A 59 1.560 -6.120 8.351 1.00 0.00 N ATOM 875 CA GLN A 59 2.216 -7.193 7.615 1.00 0.00 C ATOM 876 C GLN A 59 2.664 -6.711 6.237 1.00 0.00 C ATOM 877 O GLN A 59 3.766 -7.026 5.792 1.00 0.00 O ATOM 878 CB GLN A 59 1.282 -8.394 7.469 1.00 0.00 C ATOM 879 CG GLN A 59 0.900 -9.036 8.792 1.00 0.00 C ATOM 880 CD GLN A 59 -0.004 -10.240 8.612 1.00 0.00 C ATOM 881 OE1 GLN A 59 -0.797 -10.305 7.672 1.00 0.00 O ATOM 882 NE2 GLN A 59 0.119 -11.211 9.505 1.00 0.00 N ATOM 0 H GLN A 59 0.565 -6.270 8.518 1.00 0.00 H new ATOM 0 HA GLN A 59 3.097 -7.498 8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.375 -8.077 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.762 -9.142 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.804 -9.340 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.398 -8.299 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.788 -11.119 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.455 -12.051 9.428 1.00 0.00 H new ATOM 891 N ALA A 60 1.810 -5.932 5.579 1.00 0.00 N ATOM 892 CA ALA A 60 2.106 -5.417 4.244 1.00 0.00 C ATOM 893 C ALA A 60 3.263 -4.424 4.276 1.00 0.00 C ATOM 894 O ALA A 60 3.985 -4.266 3.295 1.00 0.00 O ATOM 895 CB ALA A 60 0.872 -4.764 3.644 1.00 0.00 C ATOM 0 H ALA A 60 0.905 -5.642 5.949 1.00 0.00 H new ATOM 0 HA ALA A 60 2.402 -6.260 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.108 -4.385 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.070 -5.499 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.551 -3.939 4.280 1.00 0.00 H new ATOM 901 N ALA A 61 3.433 -3.759 5.413 1.00 0.00 N ATOM 902 CA ALA A 61 4.511 -2.794 5.584 1.00 0.00 C ATOM 903 C ALA A 61 5.834 -3.494 5.886 1.00 0.00 C ATOM 904 O ALA A 61 6.879 -2.849 5.986 1.00 0.00 O ATOM 905 CB ALA A 61 4.164 -1.811 6.692 1.00 0.00 C ATOM 0 H ALA A 61 2.836 -3.872 6.232 1.00 0.00 H new ATOM 0 HA ALA A 61 4.628 -2.245 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.977 -1.095 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.248 -1.280 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.018 -2.353 7.627 1.00 0.00 H new ATOM 911 N GLY A 62 5.783 -4.813 6.037 1.00 0.00 N ATOM 912 CA GLY A 62 6.983 -5.578 6.316 1.00 0.00 C ATOM 913 C GLY A 62 7.405 -5.488 7.769 1.00 0.00 C ATOM 914 O GLY A 62 8.544 -5.804 8.115 1.00 0.00 O ATOM 0 H GLY A 62 4.929 -5.367 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.813 -6.622 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.794 -5.219 5.683 1.00 0.00 H new ATOM 918 N LEU A 63 6.484 -5.068 8.625 1.00 0.00 N ATOM 919 CA LEU A 63 6.772 -4.931 10.047 1.00 0.00 C ATOM 920 C LEU A 63 6.541 -6.249 10.772 1.00 0.00 C ATOM 921 O LEU A 63 6.900 -6.401 11.939 1.00 0.00 O ATOM 922 CB LEU A 63 5.908 -3.829 10.658 1.00 0.00 C ATOM 923 CG LEU A 63 6.172 -2.426 10.113 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.190 -1.434 10.707 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.604 -2.006 10.409 1.00 0.00 C ATOM 0 H LEU A 63 5.532 -4.816 8.361 1.00 0.00 H new ATOM 0 HA LEU A 63 7.821 -4.657 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.859 -4.076 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.066 -3.820 11.736 1.00 0.00 H new ATOM 0 HG LEU A 63 6.033 -2.440 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.392 -0.440 10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.173 -1.729 10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.299 -1.419 11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.778 -1.005 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.768 -2.006 11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.293 -2.706 9.937 1.00 0.00 H new ATOM 1274 N ALA A 88 9.928 1.953 11.180 1.00 0.00 N ATOM 1275 CA ALA A 88 8.823 1.589 10.308 1.00 0.00 C ATOM 1276 C ALA A 88 8.855 2.415 9.027 1.00 0.00 C ATOM 1277 O ALA A 88 9.459 3.489 8.997 1.00 0.00 O ATOM 1278 CB ALA A 88 7.503 1.786 11.042 1.00 0.00 C ATOM 0 HA ALA A 88 8.921 0.539 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.677 1.512 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.484 1.156 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.402 2.831 11.335 1.00 0.00 H new ATOM 1284 N PRO A 89 8.225 1.919 7.944 1.00 0.00 N ATOM 1285 CA PRO A 89 8.132 2.654 6.681 1.00 0.00 C ATOM 1286 C PRO A 89 7.584 4.064 6.875 1.00 0.00 C ATOM 1287 O PRO A 89 6.627 4.275 7.623 1.00 0.00 O ATOM 1288 CB PRO A 89 7.167 1.812 5.846 1.00 0.00 C ATOM 1289 CG PRO A 89 7.308 0.435 6.389 1.00 0.00 C ATOM 1290 CD PRO A 89 7.570 0.600 7.860 1.00 0.00 C ATOM 0 HA PRO A 89 9.108 2.789 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.143 2.173 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.422 1.849 4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.404 -0.148 6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.127 -0.095 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.646 0.572 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.211 -0.193 8.245 1.00 0.00 H new ATOM 1298 N GLU A 90 8.196 5.019 6.192 1.00 0.00 N ATOM 1299 CA GLU A 90 7.835 6.421 6.337 1.00 0.00 C ATOM 1300 C GLU A 90 6.450 6.686 5.756 1.00 0.00 C ATOM 1301 O GLU A 90 5.644 7.418 6.338 1.00 0.00 O ATOM 1302 CB GLU A 90 8.872 7.294 5.634 1.00 0.00 C ATOM 1303 CG GLU A 90 10.294 7.061 6.120 1.00 0.00 C ATOM 1304 CD GLU A 90 11.303 7.919 5.388 1.00 0.00 C ATOM 1305 OE1 GLU A 90 11.470 9.097 5.767 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.926 7.424 4.423 1.00 0.00 O ATOM 0 H GLU A 90 8.950 4.847 5.527 1.00 0.00 H new ATOM 0 HA GLU A 90 7.813 6.667 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.828 7.104 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.613 8.342 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.349 7.272 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.552 6.010 5.989 1.00 0.00 H new ATOM 1313 N VAL A 91 6.177 6.083 4.611 1.00 0.00 N ATOM 1314 CA VAL A 91 4.905 6.272 3.938 1.00 0.00 C ATOM 1315 C VAL A 91 4.408 4.959 3.328 1.00 0.00 C ATOM 1316 O VAL A 91 5.183 4.182 2.763 1.00 0.00 O ATOM 1317 CB VAL A 91 5.007 7.378 2.856 1.00 0.00 C ATOM 1318 CG1 VAL A 91 6.166 7.113 1.911 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.700 7.515 2.085 1.00 0.00 C ATOM 0 H VAL A 91 6.822 5.457 4.128 1.00 0.00 H new ATOM 0 HA VAL A 91 4.178 6.595 4.683 1.00 0.00 H new ATOM 0 HB VAL A 91 5.197 8.323 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.214 7.904 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.098 7.091 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.019 6.153 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.801 8.298 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.466 6.570 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.897 7.776 2.774 1.00 0.00 H new ATOM 1329 N LEU A 92 3.116 4.708 3.477 1.00 0.00 N ATOM 1330 CA LEU A 92 2.494 3.501 2.961 1.00 0.00 C ATOM 1331 C LEU A 92 1.370 3.875 2.005 1.00 0.00 C ATOM 1332 O LEU A 92 0.406 4.532 2.394 1.00 0.00 O ATOM 1333 CB LEU A 92 1.947 2.651 4.115 1.00 0.00 C ATOM 1334 CG LEU A 92 1.256 1.345 3.706 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.245 0.388 3.062 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.596 0.695 4.912 1.00 0.00 C ATOM 0 H LEU A 92 2.471 5.335 3.958 1.00 0.00 H new ATOM 0 HA LEU A 92 3.241 2.916 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.770 2.410 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.238 3.254 4.682 1.00 0.00 H new ATOM 0 HG LEU A 92 0.486 1.582 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.731 -0.531 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.673 0.851 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.041 0.157 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.110 -0.231 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.352 0.476 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.147 1.374 5.330 1.00 0.00 H new ATOM 1348 N LEU A 93 1.497 3.464 0.757 1.00 0.00 N ATOM 1349 CA LEU A 93 0.506 3.792 -0.253 1.00 0.00 C ATOM 1350 C LEU A 93 -0.454 2.630 -0.450 1.00 0.00 C ATOM 1351 O LEU A 93 -0.044 1.531 -0.820 1.00 0.00 O ATOM 1352 CB LEU A 93 1.187 4.140 -1.579 1.00 0.00 C ATOM 1353 CG LEU A 93 2.140 5.336 -1.532 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.767 5.565 -2.895 1.00 0.00 C ATOM 1355 CD2 LEU A 93 1.411 6.587 -1.066 1.00 0.00 C ATOM 0 H LEU A 93 2.277 2.902 0.417 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.058 4.660 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.742 3.267 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.416 4.340 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 93 2.932 5.116 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.442 6.419 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.325 4.677 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.984 5.763 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.107 7.425 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.598 6.812 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.005 6.421 -0.068 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.726 2.872 -0.191 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.741 1.845 -0.351 1.00 0.00 C ATOM 1369 C VAL A 94 -3.637 2.166 -1.537 1.00 0.00 C ATOM 1370 O VAL A 94 -4.352 3.171 -1.538 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.601 1.688 0.923 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.663 0.613 0.732 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.720 1.361 2.119 1.00 0.00 C ATOM 0 H VAL A 94 -2.082 3.772 0.132 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.224 0.902 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.108 2.634 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.255 0.521 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.314 0.888 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.181 -0.340 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.340 1.253 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.186 0.429 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.001 2.166 2.273 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.581 1.319 -2.549 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.419 1.489 -3.712 1.00 0.00 C ATOM 1385 C GLY A 95 -5.599 0.551 -3.672 1.00 0.00 C ATOM 1386 O GLY A 95 -5.449 -0.650 -3.879 1.00 0.00 O ATOM 0 H GLY A 95 -2.963 0.508 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.771 2.519 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.836 1.306 -4.614 1.00 0.00 H new ATOM 1390 N THR A 96 -6.771 1.095 -3.403 1.00 0.00 N ATOM 1391 CA THR A 96 -7.967 0.285 -3.233 1.00 0.00 C ATOM 1392 C THR A 96 -8.522 -0.214 -4.565 1.00 0.00 C ATOM 1393 O THR A 96 -9.123 -1.290 -4.628 1.00 0.00 O ATOM 1394 CB THR A 96 -9.043 1.074 -2.473 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.092 2.423 -2.958 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.752 1.069 -0.980 1.00 0.00 C ATOM 0 H THR A 96 -6.923 2.098 -3.297 1.00 0.00 H new ATOM 0 HA THR A 96 -7.682 -0.591 -2.651 1.00 0.00 H new ATOM 0 HB THR A 96 -10.009 0.597 -2.640 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.604 3.010 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.524 1.633 -0.457 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.742 0.042 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.781 1.529 -0.797 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.328 0.572 -5.621 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.759 0.167 -6.952 1.00 0.00 C ATOM 1406 C GLY A 97 -10.260 0.260 -7.147 1.00 0.00 C ATOM 1407 O GLY A 97 -10.736 1.017 -7.987 1.00 0.00 O ATOM 0 H GLY A 97 -7.878 1.486 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.263 0.793 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.438 -0.859 -7.135 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.997 -0.509 -6.359 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.450 -0.570 -6.461 1.00 0.00 C ATOM 1413 C ARG A 98 -13.087 0.700 -5.911 1.00 0.00 C ATOM 1414 O ARG A 98 -13.543 1.563 -6.660 1.00 0.00 O ATOM 1415 CB ARG A 98 -12.975 -1.774 -5.677 1.00 0.00 C ATOM 1416 CG ARG A 98 -12.381 -3.097 -6.117 1.00 0.00 C ATOM 1417 CD ARG A 98 -12.619 -4.180 -5.078 1.00 0.00 C ATOM 1418 NE ARG A 98 -12.143 -5.489 -5.521 1.00 0.00 N ATOM 1419 CZ ARG A 98 -10.861 -5.827 -5.649 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -9.896 -4.947 -5.403 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -10.547 -7.055 -6.023 1.00 0.00 N ATOM 0 H ARG A 98 -10.607 -1.108 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.713 -0.669 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.764 -1.626 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.059 -1.820 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.822 -3.398 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.310 -2.980 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.115 -3.908 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.685 -4.239 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.843 -6.195 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.133 -3.999 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.919 -5.220 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.284 -7.735 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.568 -7.323 -6.124 1.00 0.00 H new ATOM 1435 N ARG A 99 -13.099 0.802 -4.590 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.705 1.927 -3.899 1.00 0.00 C ATOM 1437 C ARG A 99 -12.760 2.409 -2.810 1.00 0.00 C ATOM 1438 O ARG A 99 -12.161 1.596 -2.102 1.00 0.00 O ATOM 1439 CB ARG A 99 -15.049 1.515 -3.293 1.00 0.00 C ATOM 1440 CG ARG A 99 -16.078 1.091 -4.329 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.240 0.347 -3.694 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.241 -0.049 -4.685 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.234 -1.214 -5.333 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -17.249 -2.085 -5.138 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -19.208 -1.508 -6.182 1.00 0.00 N ATOM 0 H ARG A 99 -12.688 0.106 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.884 2.736 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.887 0.693 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -15.449 2.349 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.452 1.971 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.602 0.455 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.867 -0.539 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.707 0.979 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.992 0.609 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.493 -1.864 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.249 -2.975 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.965 -0.842 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.201 -2.400 -6.677 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.616 3.717 -2.688 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.671 4.288 -1.741 1.00 0.00 C ATOM 1461 C GLN A 100 -12.177 4.156 -0.309 1.00 0.00 C ATOM 1462 O GLN A 100 -13.140 4.810 0.082 1.00 0.00 O ATOM 1463 CB GLN A 100 -11.410 5.761 -2.060 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.393 6.408 -1.134 1.00 0.00 C ATOM 1465 CD GLN A 100 -10.275 7.902 -1.349 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -11.235 8.564 -1.742 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -9.098 8.447 -1.093 1.00 0.00 N ATOM 0 H GLN A 100 -13.140 4.404 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.738 3.731 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.059 5.846 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.349 6.311 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.676 6.215 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.419 5.944 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.326 7.865 -0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.962 9.450 -1.220 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.531 3.288 0.457 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.813 3.169 1.879 1.00 0.00 C ATOM 1478 C HIS A 101 -11.252 4.382 2.611 1.00 0.00 C ATOM 1479 O HIS A 101 -10.038 4.519 2.751 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.201 1.875 2.449 1.00 0.00 C ATOM 1481 CG HIS A 101 -11.457 1.654 3.919 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.042 0.509 4.419 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -11.185 2.431 4.999 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -12.120 0.597 5.736 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -11.606 1.751 6.110 1.00 0.00 N ATOM 0 H HIS A 101 -10.807 2.655 0.116 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.893 3.126 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.597 1.025 1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.124 1.893 2.280 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -12.364 -0.281 3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.722 3.406 4.984 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.535 -0.151 6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.534 2.084 7.071 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.133 5.257 3.063 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.721 6.420 3.829 1.00 0.00 C ATOM 1496 C LEU A 102 -11.215 5.985 5.194 1.00 0.00 C ATOM 1497 O LEU A 102 -11.988 5.532 6.043 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.882 7.401 3.974 1.00 0.00 C ATOM 1499 CG LEU A 102 -13.420 7.954 2.653 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -14.615 8.852 2.908 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -12.338 8.712 1.900 1.00 0.00 C ATOM 0 H LEU A 102 -13.139 5.184 2.913 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.913 6.925 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.696 6.904 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.559 8.235 4.597 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.737 7.114 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.988 9.239 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.401 8.280 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.316 9.683 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.746 9.095 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.985 9.544 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.506 8.041 1.685 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.910 6.093 5.381 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.265 5.629 6.597 1.00 0.00 C ATOM 1515 C LEU A 103 -9.719 6.429 7.805 1.00 0.00 C ATOM 1516 O LEU A 103 -9.920 7.644 7.730 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.745 5.724 6.462 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.130 4.844 5.372 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.626 5.057 5.306 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -7.447 3.378 5.623 1.00 0.00 C ATOM 0 H LEU A 103 -9.272 6.502 4.699 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.553 4.588 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.479 6.762 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.294 5.458 7.418 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.565 5.130 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.203 4.424 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.416 6.102 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.179 4.798 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.001 2.769 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.041 3.078 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.527 3.234 5.624 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.890 5.732 8.914 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.205 6.388 10.158 1.00 0.00 C ATOM 1534 C GLY A 104 -9.008 6.395 11.085 1.00 0.00 C ATOM 1535 O GLY A 104 -8.175 5.488 11.024 1.00 0.00 O ATOM 0 H GLY A 104 -9.815 4.716 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.525 7.412 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.040 5.880 10.640 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.896 7.406 11.960 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.744 7.563 12.859 1.00 0.00 C ATOM 1541 C PRO A 105 -7.573 6.381 13.809 1.00 0.00 C ATOM 1542 O PRO A 105 -6.496 6.164 14.360 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.067 8.837 13.652 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.094 9.551 12.841 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.884 8.483 12.143 1.00 0.00 C ATOM 0 HA PRO A 105 -6.810 7.617 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.446 8.597 14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.177 9.451 13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.737 10.161 13.475 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.626 10.223 12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.734 8.154 12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.281 8.833 11.190 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.638 5.612 13.987 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.619 4.483 14.904 1.00 0.00 C ATOM 1555 C GLU A 106 -8.292 3.182 14.173 1.00 0.00 C ATOM 1556 O GLU A 106 -7.964 2.176 14.800 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.962 4.381 15.622 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.331 5.660 16.354 1.00 0.00 C ATOM 1559 CD GLU A 106 -11.687 5.591 17.013 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -12.704 5.646 16.288 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.744 5.503 18.255 1.00 0.00 O ATOM 0 H GLU A 106 -9.527 5.750 13.507 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.834 4.647 15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.741 4.144 14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.928 3.556 16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.575 5.870 17.111 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.317 6.492 15.650 1.00 0.00 H new ATOM 1568 N GLN A 107 -8.375 3.213 12.848 1.00 0.00 N ATOM 1569 CA GLN A 107 -8.027 2.054 12.028 1.00 0.00 C ATOM 1570 C GLN A 107 -6.533 2.055 11.742 1.00 0.00 C ATOM 1571 O GLN A 107 -5.873 1.019 11.784 1.00 0.00 O ATOM 1572 CB GLN A 107 -8.811 2.070 10.711 1.00 0.00 C ATOM 1573 CG GLN A 107 -10.307 1.862 10.886 1.00 0.00 C ATOM 1574 CD GLN A 107 -11.090 2.064 9.603 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -10.695 2.840 8.727 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -12.210 1.370 9.482 1.00 0.00 N ATOM 0 H GLN A 107 -8.680 4.028 12.316 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.289 1.149 12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.642 3.023 10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.419 1.292 10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.486 0.854 11.259 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.678 2.553 11.643 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.502 0.739 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.781 1.466 8.642 1.00 0.00 H new ATOM 1585 N VAL A 108 -6.003 3.237 11.467 1.00 0.00 N ATOM 1586 CA VAL A 108 -4.583 3.407 11.192 1.00 0.00 C ATOM 1587 C VAL A 108 -3.859 3.835 12.470 1.00 0.00 C ATOM 1588 O VAL A 108 -2.699 4.239 12.449 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.362 4.461 10.082 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -2.958 4.370 9.507 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -5.402 4.303 8.982 1.00 0.00 C ATOM 0 H VAL A 108 -6.542 4.102 11.428 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.179 2.455 10.847 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.476 5.448 10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.834 5.124 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.229 4.542 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.803 3.379 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.231 5.053 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.322 3.307 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.399 4.436 9.402 1.00 0.00 H new ATOM 1601 N ARG A 109 -4.562 3.692 13.588 1.00 0.00 N ATOM 1602 CA ARG A 109 -4.088 4.139 14.901 1.00 0.00 C ATOM 1603 C ARG A 109 -2.661 3.658 15.226 1.00 0.00 C ATOM 1604 O ARG A 109 -1.796 4.482 15.533 1.00 0.00 O ATOM 1605 CB ARG A 109 -5.078 3.688 15.981 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.692 4.087 17.394 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.843 3.843 18.356 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.475 4.105 19.745 1.00 0.00 N ATOM 1609 CZ ARG A 109 -5.496 5.310 20.316 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -5.813 6.385 19.604 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -5.202 5.431 21.602 1.00 0.00 N ATOM 0 H ARG A 109 -5.485 3.259 13.613 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.037 5.228 14.877 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.059 4.105 15.754 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.175 2.603 15.937 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.819 3.517 17.712 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.411 5.140 17.416 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.684 4.479 18.080 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.179 2.811 18.261 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.182 3.313 20.317 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.042 6.292 18.614 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.827 7.304 20.047 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.961 4.605 22.150 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.216 6.350 22.044 1.00 0.00 H new ATOM 1625 N PRO A 110 -2.374 2.338 15.168 1.00 0.00 N ATOM 1626 CA PRO A 110 -1.034 1.825 15.483 1.00 0.00 C ATOM 1627 C PRO A 110 0.020 2.303 14.485 1.00 0.00 C ATOM 1628 O PRO A 110 1.170 2.547 14.847 1.00 0.00 O ATOM 1629 CB PRO A 110 -1.195 0.303 15.407 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.394 0.083 14.554 1.00 0.00 C ATOM 1631 CD PRO A 110 -3.306 1.248 14.815 1.00 0.00 C ATOM 0 HA PRO A 110 -0.687 2.176 16.455 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.311 -0.166 14.974 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.332 -0.129 16.398 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.119 0.031 13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.883 -0.859 14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.902 1.497 13.937 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.005 1.038 15.625 1.00 0.00 H new ATOM 1639 N LEU A 111 -0.389 2.460 13.232 1.00 0.00 N ATOM 1640 CA LEU A 111 0.526 2.860 12.172 1.00 0.00 C ATOM 1641 C LEU A 111 0.894 4.334 12.304 1.00 0.00 C ATOM 1642 O LEU A 111 2.070 4.697 12.231 1.00 0.00 O ATOM 1643 CB LEU A 111 -0.099 2.588 10.802 1.00 0.00 C ATOM 1644 CG LEU A 111 -0.437 1.121 10.524 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -1.170 0.984 9.201 1.00 0.00 C ATOM 1646 CD2 LEU A 111 0.826 0.276 10.517 1.00 0.00 C ATOM 0 H LEU A 111 -1.351 2.316 12.925 1.00 0.00 H new ATOM 0 HA LEU A 111 1.438 2.270 12.265 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.011 3.179 10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.586 2.940 10.031 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.090 0.763 11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.402 -0.066 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.095 1.559 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.540 1.360 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.567 -0.764 10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.501 0.637 9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.317 0.348 11.487 1.00 0.00 H new ATOM 1658 N LEU A 112 -0.112 5.171 12.521 1.00 0.00 N ATOM 1659 CA LEU A 112 0.096 6.607 12.667 1.00 0.00 C ATOM 1660 C LEU A 112 0.942 6.913 13.898 1.00 0.00 C ATOM 1661 O LEU A 112 1.741 7.849 13.895 1.00 0.00 O ATOM 1662 CB LEU A 112 -1.246 7.338 12.759 1.00 0.00 C ATOM 1663 CG LEU A 112 -2.109 7.280 11.494 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -3.440 7.976 11.729 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -1.378 7.914 10.319 1.00 0.00 C ATOM 0 H LEU A 112 -1.086 4.879 12.600 1.00 0.00 H new ATOM 0 HA LEU A 112 0.630 6.959 11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.815 6.916 13.587 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.056 8.383 13.002 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.302 6.234 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.042 7.926 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.970 7.482 12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.264 9.019 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.006 7.864 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.156 8.956 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.447 7.377 10.137 1.00 0.00 H new ATOM 1677 N ALA A 113 0.774 6.107 14.941 1.00 0.00 N ATOM 1678 CA ALA A 113 1.543 6.268 16.169 1.00 0.00 C ATOM 1679 C ALA A 113 3.029 6.029 15.922 1.00 0.00 C ATOM 1680 O ALA A 113 3.883 6.644 16.559 1.00 0.00 O ATOM 1681 CB ALA A 113 1.028 5.323 17.241 1.00 0.00 C ATOM 0 H ALA A 113 0.110 5.333 14.960 1.00 0.00 H new ATOM 0 HA ALA A 113 1.419 7.295 16.514 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.611 5.454 18.152 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.020 5.542 17.446 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.122 4.294 16.895 1.00 0.00 H new ATOM 1687 N MET A 114 3.332 5.134 14.991 1.00 0.00 N ATOM 1688 CA MET A 114 4.715 4.834 14.650 1.00 0.00 C ATOM 1689 C MET A 114 5.267 5.872 13.682 1.00 0.00 C ATOM 1690 O MET A 114 6.474 6.106 13.632 1.00 0.00 O ATOM 1691 CB MET A 114 4.834 3.431 14.053 1.00 0.00 C ATOM 1692 CG MET A 114 4.540 2.321 15.048 1.00 0.00 C ATOM 1693 SD MET A 114 4.704 0.675 14.330 1.00 0.00 S ATOM 1694 CE MET A 114 3.410 0.715 13.095 1.00 0.00 C ATOM 0 H MET A 114 2.640 4.605 14.460 1.00 0.00 H new ATOM 0 HA MET A 114 5.305 4.868 15.566 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.148 3.344 13.211 1.00 0.00 H new ATOM 0 HB3 MET A 114 5.841 3.297 13.659 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.218 2.411 15.896 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.528 2.444 15.434 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.337 -0.260 12.612 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.460 0.956 13.571 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.644 1.473 12.348 1.00 0.00 H new ATOM 1704 N GLY A 115 4.375 6.507 12.931 1.00 0.00 N ATOM 1705 CA GLY A 115 4.788 7.530 11.989 1.00 0.00 C ATOM 1706 C GLY A 115 4.513 7.138 10.552 1.00 0.00 C ATOM 1707 O GLY A 115 4.816 7.891 9.627 1.00 0.00 O ATOM 0 H GLY A 115 3.371 6.331 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.266 8.460 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.853 7.724 12.112 1.00 0.00 H new ATOM 1711 N VAL A 116 3.927 5.961 10.365 1.00 0.00 N ATOM 1712 CA VAL A 116 3.648 5.445 9.030 1.00 0.00 C ATOM 1713 C VAL A 116 2.513 6.227 8.376 1.00 0.00 C ATOM 1714 O VAL A 116 1.352 6.102 8.770 1.00 0.00 O ATOM 1715 CB VAL A 116 3.276 3.945 9.070 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.138 3.385 7.662 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.302 3.152 9.864 1.00 0.00 C ATOM 0 H VAL A 116 3.635 5.344 11.123 1.00 0.00 H new ATOM 0 HA VAL A 116 4.558 5.564 8.442 1.00 0.00 H new ATOM 0 HB VAL A 116 2.313 3.851 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.876 2.328 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.356 3.927 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.083 3.498 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.018 2.100 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.282 3.257 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.343 3.530 10.886 1.00 0.00 H new ATOM 1727 N GLY A 117 2.858 7.046 7.391 1.00 0.00 N ATOM 1728 CA GLY A 117 1.860 7.815 6.678 1.00 0.00 C ATOM 1729 C GLY A 117 1.147 6.981 5.637 1.00 0.00 C ATOM 1730 O GLY A 117 1.647 6.802 4.528 1.00 0.00 O ATOM 0 H GLY A 117 3.816 7.191 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.133 8.212 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.335 8.669 6.196 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.008 6.451 6.001 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.770 5.600 5.104 1.00 0.00 C ATOM 1736 C VAL A 118 -1.726 6.431 4.254 1.00 0.00 C ATOM 1737 O VAL A 118 -2.604 7.118 4.780 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.564 4.533 5.887 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.294 3.594 4.940 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.640 3.751 6.805 1.00 0.00 C ATOM 0 H VAL A 118 -0.439 6.596 6.914 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.060 5.094 4.450 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.309 5.044 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.846 2.852 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.989 4.166 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.571 3.090 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.216 3.003 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.129 3.256 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.169 4.432 7.513 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.538 6.376 2.944 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.382 7.106 2.009 1.00 0.00 C ATOM 1752 C GLU A 119 -3.311 6.149 1.270 1.00 0.00 C ATOM 1753 O GLU A 119 -2.865 5.370 0.426 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.523 7.867 0.995 1.00 0.00 C ATOM 1755 CG GLU A 119 -0.646 8.946 1.610 1.00 0.00 C ATOM 1756 CD GLU A 119 -1.447 10.097 2.180 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.145 10.786 1.400 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -1.385 10.324 3.406 1.00 0.00 O ATOM 0 H GLU A 119 -0.801 5.828 2.501 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.981 7.818 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.888 7.156 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.176 8.325 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.037 8.507 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.040 9.326 0.853 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.594 6.199 1.599 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.587 5.369 0.926 1.00 0.00 C ATOM 1767 C ALA A 120 -6.111 6.076 -0.315 1.00 0.00 C ATOM 1768 O ALA A 120 -6.885 7.029 -0.219 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.734 5.030 1.865 1.00 0.00 C ATOM 0 H ALA A 120 -4.973 6.805 2.327 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.107 4.438 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.462 4.411 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.349 4.487 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.214 5.950 2.200 1.00 0.00 H new ATOM 1775 N MET A 121 -5.684 5.612 -1.477 1.00 0.00 N ATOM 1776 CA MET A 121 -6.027 6.261 -2.733 1.00 0.00 C ATOM 1777 C MET A 121 -6.416 5.232 -3.784 1.00 0.00 C ATOM 1778 O MET A 121 -6.585 4.045 -3.482 1.00 0.00 O ATOM 1779 CB MET A 121 -4.840 7.088 -3.243 1.00 0.00 C ATOM 1780 CG MET A 121 -4.413 8.203 -2.302 1.00 0.00 C ATOM 1781 SD MET A 121 -2.960 9.091 -2.897 1.00 0.00 S ATOM 1782 CE MET A 121 -1.734 7.785 -2.899 1.00 0.00 C ATOM 0 H MET A 121 -5.096 4.784 -1.578 1.00 0.00 H new ATOM 0 HA MET A 121 -6.877 6.919 -2.553 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.993 6.423 -3.410 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.101 7.521 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.238 8.905 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.201 7.783 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.751 8.209 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 121 -1.720 7.297 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.983 7.053 -3.667 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.581 5.702 -5.013 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.826 4.828 -6.151 1.00 0.00 C ATOM 1794 C ASP A 122 -5.589 3.982 -6.414 1.00 0.00 C ATOM 1795 O ASP A 122 -4.486 4.354 -6.014 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.123 5.650 -7.412 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.103 6.780 -7.185 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -7.716 7.787 -6.550 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.245 6.685 -7.672 1.00 0.00 O ATOM 0 H ASP A 122 -6.549 6.694 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.684 4.196 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.189 6.062 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.518 4.987 -8.182 1.00 0.00 H new ATOM 1804 N THR A 123 -5.759 2.864 -7.101 1.00 0.00 N ATOM 1805 CA THR A 123 -4.622 2.054 -7.508 1.00 0.00 C ATOM 1806 C THR A 123 -3.735 2.846 -8.461 1.00 0.00 C ATOM 1807 O THR A 123 -2.511 2.841 -8.345 1.00 0.00 O ATOM 1808 CB THR A 123 -5.081 0.754 -8.190 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.275 1.006 -8.943 1.00 0.00 O ATOM 1810 CG2 THR A 123 -5.329 -0.347 -7.172 1.00 0.00 C ATOM 0 H THR A 123 -6.667 2.498 -7.387 1.00 0.00 H new ATOM 0 HA THR A 123 -4.057 1.791 -6.614 1.00 0.00 H new ATOM 0 HB THR A 123 -4.289 0.417 -8.858 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.066 0.995 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.652 -1.252 -7.686 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.409 -0.550 -6.624 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.104 -0.030 -6.475 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.379 3.553 -9.384 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.682 4.393 -10.345 1.00 0.00 C ATOM 1820 C GLN A 124 -2.998 5.560 -9.636 1.00 0.00 C ATOM 1821 O GLN A 124 -1.851 5.890 -9.927 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.673 4.911 -11.389 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.027 5.664 -12.543 1.00 0.00 C ATOM 1824 CD GLN A 124 -5.044 6.113 -13.577 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -6.079 5.473 -13.765 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.756 7.215 -14.252 1.00 0.00 N ATOM 0 H GLN A 124 -5.394 3.558 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.916 3.800 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.235 4.068 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.391 5.568 -10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.497 6.534 -12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.284 5.025 -13.020 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.887 7.715 -14.065 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -5.403 7.564 -14.959 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.708 6.164 -8.686 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.177 7.291 -7.931 1.00 0.00 C ATOM 1837 C ALA A 125 -1.965 6.869 -7.110 1.00 0.00 C ATOM 1838 O ALA A 125 -0.949 7.568 -7.079 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.253 7.875 -7.027 1.00 0.00 C ATOM 0 H ALA A 125 -4.654 5.889 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.860 8.058 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.842 8.716 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.092 8.217 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.597 7.111 -6.330 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.075 5.718 -6.459 1.00 0.00 N ATOM 1846 CA ALA A 126 -0.989 5.191 -5.649 1.00 0.00 C ATOM 1847 C ALA A 126 0.219 4.853 -6.512 1.00 0.00 C ATOM 1848 O ALA A 126 1.353 5.132 -6.133 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.450 3.967 -4.874 1.00 0.00 C ATOM 0 H ALA A 126 -2.909 5.131 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.691 5.961 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.625 3.585 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.279 4.241 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.777 3.196 -5.572 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.035 4.270 -7.681 1.00 0.00 N ATOM 1856 CA ALA A 127 1.030 3.901 -8.608 1.00 0.00 C ATOM 1857 C ALA A 127 1.836 5.122 -9.040 1.00 0.00 C ATOM 1858 O ALA A 127 3.068 5.090 -9.051 1.00 0.00 O ATOM 1859 CB ALA A 127 0.451 3.188 -9.822 1.00 0.00 C ATOM 0 H ALA A 127 -0.974 4.042 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 127 1.706 3.221 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.257 2.919 -10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.069 2.285 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.251 3.848 -10.332 1.00 0.00 H new ATOM 1865 N ARG A 128 1.138 6.203 -9.383 1.00 0.00 N ATOM 1866 CA ARG A 128 1.801 7.438 -9.795 1.00 0.00 C ATOM 1867 C ARG A 128 2.640 7.994 -8.651 1.00 0.00 C ATOM 1868 O ARG A 128 3.812 8.322 -8.829 1.00 0.00 O ATOM 1869 CB ARG A 128 0.782 8.492 -10.242 1.00 0.00 C ATOM 1870 CG ARG A 128 -0.140 8.029 -11.357 1.00 0.00 C ATOM 1871 CD ARG A 128 -0.993 9.172 -11.884 1.00 0.00 C ATOM 1872 NE ARG A 128 -1.696 9.884 -10.813 1.00 0.00 N ATOM 1873 CZ ARG A 128 -2.330 11.048 -10.986 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -2.425 11.580 -12.198 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -2.894 11.661 -9.954 1.00 0.00 N ATOM 0 H ARG A 128 0.119 6.249 -9.384 1.00 0.00 H new ATOM 0 HA ARG A 128 2.448 7.202 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.178 8.785 -9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.317 9.382 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.453 7.610 -12.171 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -0.785 7.231 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.360 9.873 -12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.721 8.781 -12.595 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.702 9.467 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.014 11.101 -12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.909 12.468 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.845 11.244 -9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.377 12.549 -10.090 1.00 0.00 H new ATOM 1889 N THR A 129 2.033 8.069 -7.472 1.00 0.00 N ATOM 1890 CA THR A 129 2.704 8.594 -6.290 1.00 0.00 C ATOM 1891 C THR A 129 3.902 7.722 -5.914 1.00 0.00 C ATOM 1892 O THR A 129 4.925 8.214 -5.442 1.00 0.00 O ATOM 1893 CB THR A 129 1.726 8.669 -5.100 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.520 9.332 -5.506 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.344 9.419 -3.928 1.00 0.00 C ATOM 0 H THR A 129 1.071 7.771 -7.310 1.00 0.00 H new ATOM 0 HA THR A 129 3.058 9.598 -6.525 1.00 0.00 H new ATOM 0 HB THR A 129 1.502 7.651 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.043 8.708 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.632 9.456 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.249 8.905 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.595 10.434 -4.237 1.00 0.00 H new ATOM 1903 N TYR A 130 3.765 6.425 -6.150 1.00 0.00 N ATOM 1904 CA TYR A 130 4.818 5.463 -5.857 1.00 0.00 C ATOM 1905 C TYR A 130 6.057 5.760 -6.696 1.00 0.00 C ATOM 1906 O TYR A 130 7.181 5.770 -6.188 1.00 0.00 O ATOM 1907 CB TYR A 130 4.303 4.053 -6.139 1.00 0.00 C ATOM 1908 CG TYR A 130 5.140 2.945 -5.548 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.345 2.861 -4.177 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.699 1.964 -6.356 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.081 1.831 -3.628 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.441 0.935 -5.814 1.00 0.00 C ATOM 1913 CZ TYR A 130 6.627 0.872 -4.451 1.00 0.00 C ATOM 1914 OH TYR A 130 7.346 -0.162 -3.908 1.00 0.00 O ATOM 0 H TYR A 130 2.923 6.011 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 130 5.097 5.539 -4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.287 3.968 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 130 4.246 3.911 -7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.921 3.615 -3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.551 2.007 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.228 1.778 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.874 0.182 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 130 6.755 -0.719 -3.360 1.00 0.00 H new ATOM 1924 N ASN A 131 5.838 6.029 -7.979 1.00 0.00 N ATOM 1925 CA ASN A 131 6.928 6.364 -8.893 1.00 0.00 C ATOM 1926 C ASN A 131 7.568 7.691 -8.505 1.00 0.00 C ATOM 1927 O ASN A 131 8.752 7.923 -8.756 1.00 0.00 O ATOM 1928 CB ASN A 131 6.430 6.429 -10.341 1.00 0.00 C ATOM 1929 CG ASN A 131 5.957 5.083 -10.859 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.439 4.035 -10.431 1.00 0.00 O ATOM 1931 ND2 ASN A 131 5.017 5.101 -11.794 1.00 0.00 N ATOM 0 H ASN A 131 4.914 6.022 -8.411 1.00 0.00 H new ATOM 0 HA ASN A 131 7.677 5.576 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.613 7.147 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.232 6.798 -10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.669 4.225 -12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.642 5.991 -12.123 1.00 0.00 H new ATOM 1938 N ILE A 132 6.778 8.557 -7.886 1.00 0.00 N ATOM 1939 CA ILE A 132 7.275 9.838 -7.403 1.00 0.00 C ATOM 1940 C ILE A 132 8.168 9.639 -6.180 1.00 0.00 C ATOM 1941 O ILE A 132 9.296 10.131 -6.133 1.00 0.00 O ATOM 1942 CB ILE A 132 6.115 10.794 -7.033 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.241 11.073 -8.258 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.653 12.097 -6.452 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.018 11.912 -7.951 1.00 0.00 C ATOM 0 H ILE A 132 5.787 8.395 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 132 7.853 10.286 -8.212 1.00 0.00 H new ATOM 0 HB ILE A 132 5.502 10.310 -6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.840 11.582 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.922 10.125 -8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.821 12.754 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.232 11.883 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.291 12.587 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.446 12.070 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.397 11.396 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.330 12.875 -7.547 1.00 0.00 H new ATOM 1957 N LEU A 133 7.662 8.896 -5.204 1.00 0.00 N ATOM 1958 CA LEU A 133 8.361 8.708 -3.939 1.00 0.00 C ATOM 1959 C LEU A 133 9.642 7.894 -4.114 1.00 0.00 C ATOM 1960 O LEU A 133 10.640 8.150 -3.436 1.00 0.00 O ATOM 1961 CB LEU A 133 7.435 8.046 -2.919 1.00 0.00 C ATOM 1962 CG LEU A 133 6.204 8.873 -2.538 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.315 8.098 -1.579 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.622 10.199 -1.920 1.00 0.00 C ATOM 0 H LEU A 133 6.766 8.412 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 133 8.651 9.691 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.102 7.088 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.006 7.833 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 133 5.636 9.078 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.446 8.702 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.986 7.174 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.875 7.861 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.734 10.773 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.214 10.012 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.218 10.763 -2.637 1.00 0.00 H new ATOM 1976 N MET A 134 9.628 6.925 -5.028 1.00 0.00 N ATOM 1977 CA MET A 134 10.823 6.123 -5.286 1.00 0.00 C ATOM 1978 C MET A 134 11.911 6.980 -5.932 1.00 0.00 C ATOM 1979 O MET A 134 13.101 6.739 -5.738 1.00 0.00 O ATOM 1980 CB MET A 134 10.514 4.910 -6.176 1.00 0.00 C ATOM 1981 CG MET A 134 10.126 5.267 -7.603 1.00 0.00 C ATOM 1982 SD MET A 134 10.072 3.835 -8.694 1.00 0.00 S ATOM 1983 CE MET A 134 8.807 2.844 -7.903 1.00 0.00 C ATOM 0 H MET A 134 8.816 6.679 -5.594 1.00 0.00 H new ATOM 0 HA MET A 134 11.180 5.751 -4.325 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.388 4.260 -6.201 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.704 4.338 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 134 9.149 5.751 -7.598 1.00 0.00 H new ATOM 0 HG3 MET A 134 10.839 5.991 -7.998 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.299 2.236 -8.652 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.267 2.193 -7.159 1.00 0.00 H new ATOM 0 HE3 MET A 134 8.084 3.498 -7.416 1.00 0.00 H new ATOM 1993 N ALA A 135 11.493 7.991 -6.688 1.00 0.00 N ATOM 1994 CA ALA A 135 12.430 8.891 -7.345 1.00 0.00 C ATOM 1995 C ALA A 135 12.956 9.928 -6.362 1.00 0.00 C ATOM 1996 O ALA A 135 14.058 10.455 -6.526 1.00 0.00 O ATOM 1997 CB ALA A 135 11.771 9.568 -8.538 1.00 0.00 C ATOM 0 H ALA A 135 10.511 8.206 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 135 13.275 8.304 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.486 10.237 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.447 8.811 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.908 10.141 -8.200 1.00 0.00 H new ATOM 2003 N GLU A 136 12.159 10.222 -5.341 1.00 0.00 N ATOM 2004 CA GLU A 136 12.577 11.136 -4.288 1.00 0.00 C ATOM 2005 C GLU A 136 13.564 10.441 -3.360 1.00 0.00 C ATOM 2006 O GLU A 136 14.545 11.034 -2.913 1.00 0.00 O ATOM 2007 CB GLU A 136 11.369 11.627 -3.491 1.00 0.00 C ATOM 2008 CG GLU A 136 11.717 12.698 -2.473 1.00 0.00 C ATOM 2009 CD GLU A 136 10.572 13.005 -1.537 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.674 13.779 -1.924 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.564 12.471 -0.406 1.00 0.00 O ATOM 0 H GLU A 136 11.221 9.840 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 136 13.062 11.997 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.622 12.020 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.913 10.781 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.580 12.374 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 136 12.009 13.609 -2.995 1.00 0.00 H new ATOM 2018 N GLY A 137 13.293 9.177 -3.076 1.00 0.00 N ATOM 2019 CA GLY A 137 14.193 8.393 -2.255 1.00 0.00 C ATOM 2020 C GLY A 137 13.719 8.263 -0.824 1.00 0.00 C ATOM 2021 O GLY A 137 14.531 8.166 0.096 1.00 0.00 O ATOM 0 H GLY A 137 12.464 8.678 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.300 7.399 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.181 8.854 -2.265 1.00 0.00 H new ATOM 2025 N ARG A 138 12.405 8.268 -0.627 1.00 0.00 N ATOM 2026 CA ARG A 138 11.842 8.081 0.703 1.00 0.00 C ATOM 2027 C ARG A 138 11.358 6.641 0.849 1.00 0.00 C ATOM 2028 O ARG A 138 10.941 6.026 -0.133 1.00 0.00 O ATOM 2029 CB ARG A 138 10.692 9.068 0.953 1.00 0.00 C ATOM 2030 CG ARG A 138 10.305 9.169 2.419 1.00 0.00 C ATOM 2031 CD ARG A 138 9.249 10.233 2.680 1.00 0.00 C ATOM 2032 NE ARG A 138 9.030 10.405 4.118 1.00 0.00 N ATOM 2033 CZ ARG A 138 7.834 10.564 4.692 1.00 0.00 C ATOM 2034 NH1 ARG A 138 6.732 10.655 3.955 1.00 0.00 N ATOM 2035 NH2 ARG A 138 7.750 10.657 6.012 1.00 0.00 N ATOM 0 H ARG A 138 11.715 8.399 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 138 12.614 8.277 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.982 10.054 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.822 8.758 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.932 8.203 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.193 9.393 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.563 11.179 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.314 9.951 2.196 1.00 0.00 H new ATOM 0 HE ARG A 138 9.850 10.403 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.793 10.604 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.825 10.776 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.595 10.607 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.841 10.779 6.458 1.00 0.00 H new ATOM 2049 N ARG A 139 11.426 6.098 2.063 1.00 0.00 N ATOM 2050 CA ARG A 139 11.040 4.711 2.296 1.00 0.00 C ATOM 2051 C ARG A 139 9.529 4.537 2.183 1.00 0.00 C ATOM 2052 O ARG A 139 8.778 4.849 3.113 1.00 0.00 O ATOM 2053 CB ARG A 139 11.538 4.227 3.663 1.00 0.00 C ATOM 2054 CG ARG A 139 13.053 4.122 3.753 1.00 0.00 C ATOM 2055 CD ARG A 139 13.608 3.189 2.687 1.00 0.00 C ATOM 2056 NE ARG A 139 15.063 3.063 2.757 1.00 0.00 N ATOM 2057 CZ ARG A 139 15.846 2.886 1.694 1.00 0.00 C ATOM 2058 NH1 ARG A 139 15.321 2.864 0.476 1.00 0.00 N ATOM 2059 NH2 ARG A 139 17.156 2.748 1.854 1.00 0.00 N ATOM 0 H ARG A 139 11.743 6.595 2.895 1.00 0.00 H new ATOM 0 HA ARG A 139 11.510 4.100 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.182 4.911 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 139 11.101 3.252 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.495 5.112 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.336 3.758 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 139 13.155 2.204 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 139 13.325 3.559 1.702 1.00 0.00 H new ATOM 0 HE ARG A 139 15.505 3.114 3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 139 14.316 2.983 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.923 2.728 -0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 139 17.561 2.778 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 139 17.758 2.612 1.041 1.00 0.00 H new ATOM 2073 N VAL A 140 9.097 4.048 1.029 1.00 0.00 N ATOM 2074 CA VAL A 140 7.683 3.868 0.747 1.00 0.00 C ATOM 2075 C VAL A 140 7.369 2.412 0.422 1.00 0.00 C ATOM 2076 O VAL A 140 8.151 1.724 -0.236 1.00 0.00 O ATOM 2077 CB VAL A 140 7.231 4.776 -0.427 1.00 0.00 C ATOM 2078 CG1 VAL A 140 8.061 4.512 -1.674 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.749 4.593 -0.726 1.00 0.00 C ATOM 0 H VAL A 140 9.714 3.767 0.267 1.00 0.00 H new ATOM 0 HA VAL A 140 7.133 4.152 1.644 1.00 0.00 H new ATOM 0 HB VAL A 140 7.391 5.810 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.722 5.162 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 140 9.111 4.714 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.945 3.471 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.462 5.242 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.558 3.555 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.165 4.851 0.157 1.00 0.00 H new ATOM 2089 N VAL A 141 6.235 1.944 0.917 1.00 0.00 N ATOM 2090 CA VAL A 141 5.724 0.626 0.575 1.00 0.00 C ATOM 2091 C VAL A 141 4.338 0.787 -0.040 1.00 0.00 C ATOM 2092 O VAL A 141 3.576 1.661 0.375 1.00 0.00 O ATOM 2093 CB VAL A 141 5.640 -0.295 1.814 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.194 -1.697 1.420 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.977 -0.345 2.540 1.00 0.00 C ATOM 0 H VAL A 141 5.644 2.465 1.565 1.00 0.00 H new ATOM 0 HA VAL A 141 6.409 0.160 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 141 4.895 0.121 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 141 5.143 -2.326 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 141 4.210 -1.648 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.909 -2.122 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.895 -0.999 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.743 -0.730 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.252 0.658 2.866 1.00 0.00 H new ATOM 2105 N VAL A 142 4.015 -0.020 -1.039 1.00 0.00 N ATOM 2106 CA VAL A 142 2.724 0.097 -1.703 1.00 0.00 C ATOM 2107 C VAL A 142 1.931 -1.204 -1.601 1.00 0.00 C ATOM 2108 O VAL A 142 2.490 -2.295 -1.710 1.00 0.00 O ATOM 2109 CB VAL A 142 2.883 0.499 -3.190 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.490 -0.630 -4.011 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.550 0.941 -3.779 1.00 0.00 C ATOM 0 H VAL A 142 4.620 -0.755 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 142 2.173 0.886 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 142 3.571 1.344 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.587 -0.313 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.474 -0.880 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.844 -1.506 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.688 1.218 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.833 0.122 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.173 1.799 -3.223 1.00 0.00 H new ATOM 2121 N ALA A 143 0.635 -1.070 -1.368 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.275 -2.203 -1.355 1.00 0.00 C ATOM 2123 C ALA A 143 -1.429 -1.928 -2.307 1.00 0.00 C ATOM 2124 O ALA A 143 -2.206 -0.998 -2.095 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.787 -2.465 0.055 1.00 0.00 C ATOM 0 H ALA A 143 0.185 -0.173 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 143 0.256 -3.096 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.467 -3.317 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 143 0.054 -2.681 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.316 -1.584 0.420 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.529 -2.716 -3.364 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.512 -2.457 -4.410 1.00 0.00 C ATOM 2133 C LEU A 144 -3.537 -3.580 -4.511 1.00 0.00 C ATOM 2134 O LEU A 144 -3.187 -4.762 -4.475 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.808 -2.263 -5.756 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.871 -1.055 -5.831 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.123 -1.038 -7.156 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.653 0.238 -5.649 1.00 0.00 C ATOM 0 H LEU A 144 -0.946 -3.538 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.046 -1.544 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.235 -3.162 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.565 -2.164 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.142 -1.137 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.538 -0.172 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.468 -1.949 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.838 -0.981 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.971 1.087 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.404 0.323 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.145 0.232 -4.676 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.804 -3.195 -4.627 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.902 -4.142 -4.770 1.00 0.00 C ATOM 2152 C LEU A 145 -6.477 -4.089 -6.188 1.00 0.00 C ATOM 2153 O LEU A 145 -7.261 -3.196 -6.509 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.020 -3.819 -3.769 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.617 -3.836 -2.293 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.756 -3.320 -1.428 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.229 -5.237 -1.865 1.00 0.00 C ATOM 0 H LEU A 145 -5.097 -2.218 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.511 -5.140 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.420 -2.833 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.829 -4.535 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.755 -3.182 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.454 -3.338 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.999 -2.298 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.632 -3.954 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -5.945 -5.230 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.075 -5.909 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.387 -5.581 -2.466 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.091 -5.031 -7.058 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.633 -5.112 -8.418 1.00 0.00 C ATOM 2171 C PRO A 146 -8.084 -5.593 -8.415 1.00 0.00 C ATOM 2172 O PRO A 146 -8.430 -6.537 -7.701 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.721 -6.130 -9.106 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.200 -6.981 -8.001 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.099 -6.089 -6.794 1.00 0.00 C ATOM 0 HA PRO A 146 -6.650 -4.145 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.271 -6.723 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -4.910 -5.636 -9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -5.868 -7.821 -7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.227 -7.399 -8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -5.326 -6.631 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.096 -5.678 -6.682 1.00 0.00 H new