USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 595 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 14 HIS : no HD1:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc=-0.00449 (180deg=-0.0757) USER MOD Single : A 35 MET CE :methyl -164:sc= -0.0957 (180deg=-0.496) USER MOD Single : B 35 MET CE :methyl -141:sc= -0.12 (180deg=-0.625) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : C 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 15 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : C 16 LYS NZ :NH3+ -172:sc=-0.00359 (180deg=-0.0722) USER MOD Single : C 35 MET CE :methyl -163:sc= -0.0928 (180deg=-0.524) USER MOD Single : D 35 MET CE :methyl -161:sc= -0.131 (180deg=-0.617) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 21.411 7.003 -7.147 1.00 0.00 N ATOM 133 CA TYR A 10 20.393 6.019 -6.828 1.00 0.00 C ATOM 134 C TYR A 10 19.149 6.287 -7.657 1.00 0.00 C ATOM 135 O TYR A 10 18.906 7.422 -8.070 1.00 0.00 O ATOM 136 CB TYR A 10 20.057 6.049 -5.329 1.00 0.00 C ATOM 137 CG TYR A 10 19.417 7.338 -4.856 1.00 0.00 C ATOM 138 CD1 TYR A 10 20.194 8.410 -4.438 1.00 0.00 C ATOM 139 CD2 TYR A 10 18.035 7.481 -4.823 1.00 0.00 C ATOM 140 CE1 TYR A 10 19.614 9.585 -4.001 1.00 0.00 C ATOM 141 CE2 TYR A 10 17.449 8.652 -4.389 1.00 0.00 C ATOM 142 CZ TYR A 10 18.241 9.700 -3.980 1.00 0.00 C ATOM 143 OH TYR A 10 17.657 10.867 -3.548 1.00 0.00 O ATOM 0 HA TYR A 10 20.775 5.026 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.386 5.220 -5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.972 5.882 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.270 8.324 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.409 6.661 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.233 10.409 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.373 8.746 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 10 16.682 10.783 -3.597 1.00 0.00 H new ATOM 153 N GLU A 11 18.375 5.248 -7.910 1.00 0.00 N ATOM 154 CA GLU A 11 17.170 5.380 -8.708 1.00 0.00 C ATOM 155 C GLU A 11 15.944 5.314 -7.808 1.00 0.00 C ATOM 156 O GLU A 11 15.963 4.651 -6.770 1.00 0.00 O ATOM 157 CB GLU A 11 17.114 4.285 -9.777 1.00 0.00 C ATOM 158 CG GLU A 11 15.980 4.462 -10.771 1.00 0.00 C ATOM 159 CD GLU A 11 16.012 5.818 -11.444 1.00 0.00 C ATOM 160 OE1 GLU A 11 15.544 6.796 -10.824 1.00 0.00 O ATOM 161 OE2 GLU A 11 16.510 5.909 -12.585 1.00 0.00 O ATOM 0 H GLU A 11 18.559 4.303 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 11 17.183 6.346 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.060 4.268 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.009 3.317 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.039 3.681 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.027 4.336 -10.258 1.00 0.00 H new ATOM 168 N VAL A 12 14.890 6.006 -8.198 1.00 0.00 N ATOM 169 CA VAL A 12 13.670 6.042 -7.410 1.00 0.00 C ATOM 170 C VAL A 12 12.507 5.421 -8.173 1.00 0.00 C ATOM 171 O VAL A 12 12.299 5.697 -9.355 1.00 0.00 O ATOM 172 CB VAL A 12 13.301 7.480 -6.983 1.00 0.00 C ATOM 173 CG1 VAL A 12 14.276 7.994 -5.937 1.00 0.00 C ATOM 174 CG2 VAL A 12 13.273 8.414 -8.183 1.00 0.00 C ATOM 0 H VAL A 12 14.853 6.553 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 12 13.861 5.457 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 12 12.303 7.455 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.999 9.008 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.244 7.347 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.285 7.996 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.011 9.420 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.256 8.431 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.532 8.062 -8.901 1.00 0.00 H new ATOM 184 N HIS A 13 11.759 4.571 -7.493 1.00 0.00 N ATOM 185 CA HIS A 13 10.597 3.936 -8.088 1.00 0.00 C ATOM 186 C HIS A 13 9.349 4.378 -7.338 1.00 0.00 C ATOM 187 O HIS A 13 9.337 4.402 -6.112 1.00 0.00 O ATOM 188 CB HIS A 13 10.745 2.406 -8.034 1.00 0.00 C ATOM 189 CG HIS A 13 9.712 1.657 -8.826 1.00 0.00 C ATOM 190 ND1 HIS A 13 9.991 1.039 -10.026 1.00 0.00 N ATOM 191 CD2 HIS A 13 8.400 1.419 -8.584 1.00 0.00 C ATOM 192 CE1 HIS A 13 8.900 0.460 -10.486 1.00 0.00 C ATOM 193 NE2 HIS A 13 7.922 0.674 -9.630 1.00 0.00 N ATOM 0 H HIS A 13 11.936 4.304 -6.525 1.00 0.00 H new ATOM 0 HA HIS A 13 10.512 4.233 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.735 2.135 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.692 2.084 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.836 1.754 -7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.821 -0.096 -11.409 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.964 0.339 -9.730 1.00 0.00 H new ATOM 202 N HIS A 14 8.308 4.734 -8.069 1.00 0.00 N ATOM 203 CA HIS A 14 7.061 5.161 -7.458 1.00 0.00 C ATOM 204 C HIS A 14 5.946 5.142 -8.489 1.00 0.00 C ATOM 205 O HIS A 14 6.133 5.577 -9.625 1.00 0.00 O ATOM 206 CB HIS A 14 7.210 6.567 -6.855 1.00 0.00 C ATOM 207 CG HIS A 14 5.973 7.083 -6.180 1.00 0.00 C ATOM 208 ND1 HIS A 14 5.722 6.922 -4.833 1.00 0.00 N ATOM 209 CD2 HIS A 14 4.911 7.762 -6.676 1.00 0.00 C ATOM 210 CE1 HIS A 14 4.562 7.475 -4.535 1.00 0.00 C ATOM 211 NE2 HIS A 14 4.051 7.991 -5.634 1.00 0.00 N ATOM 0 H HIS A 14 8.301 4.736 -9.089 1.00 0.00 H new ATOM 0 HA HIS A 14 6.810 4.469 -6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.026 6.555 -6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.495 7.261 -7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.768 8.066 -7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.108 7.500 -3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.159 8.482 -5.699 1.00 0.00 H new ATOM 220 N GLN A 15 4.795 4.632 -8.088 1.00 0.00 N ATOM 221 CA GLN A 15 3.630 4.599 -8.955 1.00 0.00 C ATOM 222 C GLN A 15 2.361 4.509 -8.118 1.00 0.00 C ATOM 223 O GLN A 15 2.314 3.781 -7.124 1.00 0.00 O ATOM 224 CB GLN A 15 3.714 3.410 -9.914 1.00 0.00 C ATOM 225 CG GLN A 15 2.663 3.439 -11.011 1.00 0.00 C ATOM 226 CD GLN A 15 2.740 2.234 -11.920 1.00 0.00 C ATOM 227 OE1 GLN A 15 3.110 1.144 -11.492 1.00 0.00 O ATOM 228 NE2 GLN A 15 2.407 2.422 -13.186 1.00 0.00 N ATOM 0 H GLN A 15 4.642 4.233 -7.162 1.00 0.00 H new ATOM 0 HA GLN A 15 3.603 5.517 -9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.704 3.391 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.608 2.486 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.672 3.486 -10.559 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.786 4.345 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.104 3.343 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.453 1.646 -13.846 1.00 0.00 H new ATOM 237 N LYS A 16 1.350 5.268 -8.508 1.00 0.00 N ATOM 238 CA LYS A 16 0.064 5.244 -7.831 1.00 0.00 C ATOM 239 C LYS A 16 -1.040 4.971 -8.849 1.00 0.00 C ATOM 240 O LYS A 16 -1.138 5.660 -9.863 1.00 0.00 O ATOM 241 CB LYS A 16 -0.164 6.581 -7.118 1.00 0.00 C ATOM 242 CG LYS A 16 -1.423 6.641 -6.268 1.00 0.00 C ATOM 243 CD LYS A 16 -1.452 7.915 -5.437 1.00 0.00 C ATOM 244 CE LYS A 16 -2.679 7.990 -4.542 1.00 0.00 C ATOM 245 NZ LYS A 16 -3.941 8.043 -5.322 1.00 0.00 N ATOM 0 H LYS A 16 1.396 5.913 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 16 0.050 4.450 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.697 6.790 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.209 7.373 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.303 6.600 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.466 5.772 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.553 7.967 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.435 8.780 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.698 7.123 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.609 8.873 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.736 8.246 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.874 8.792 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.098 7.128 -5.790 1.00 0.00 H new ATOM 259 N LEU A 17 -1.860 3.966 -8.577 1.00 0.00 N ATOM 260 CA LEU A 17 -2.878 3.533 -9.524 1.00 0.00 C ATOM 261 C LEU A 17 -4.218 3.323 -8.833 1.00 0.00 C ATOM 262 O LEU A 17 -4.283 2.748 -7.746 1.00 0.00 O ATOM 263 CB LEU A 17 -2.450 2.229 -10.206 1.00 0.00 C ATOM 264 CG LEU A 17 -1.197 2.322 -11.079 1.00 0.00 C ATOM 265 CD1 LEU A 17 -0.758 0.937 -11.522 1.00 0.00 C ATOM 266 CD2 LEU A 17 -1.456 3.207 -12.290 1.00 0.00 C ATOM 0 H LEU A 17 -1.840 3.434 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.989 4.318 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.280 1.476 -9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.276 1.874 -10.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.397 2.769 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.134 1.019 -12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.536 0.328 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.557 0.468 -12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.554 3.262 -12.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.269 2.786 -12.881 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.730 4.208 -11.957 1.00 0.00 H new ATOM 278 N VAL A 18 -5.278 3.789 -9.472 1.00 0.00 N ATOM 279 CA VAL A 18 -6.632 3.607 -8.969 1.00 0.00 C ATOM 280 C VAL A 18 -7.526 3.084 -10.087 1.00 0.00 C ATOM 281 O VAL A 18 -7.689 3.734 -11.119 1.00 0.00 O ATOM 282 CB VAL A 18 -7.223 4.925 -8.410 1.00 0.00 C ATOM 283 CG1 VAL A 18 -8.661 4.722 -7.954 1.00 0.00 C ATOM 284 CG2 VAL A 18 -6.376 5.448 -7.259 1.00 0.00 C ATOM 0 H VAL A 18 -5.226 4.303 -10.352 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.589 2.887 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.215 5.664 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.055 5.661 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.268 4.395 -8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.691 3.964 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.808 6.374 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.350 4.707 -6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.362 5.638 -7.611 1.00 0.00 H new ATOM 294 N PHE A 19 -8.092 1.904 -9.885 1.00 0.00 N ATOM 295 CA PHE A 19 -8.918 1.278 -10.905 1.00 0.00 C ATOM 296 C PHE A 19 -10.373 1.197 -10.453 1.00 0.00 C ATOM 297 O PHE A 19 -10.662 0.947 -9.279 1.00 0.00 O ATOM 298 CB PHE A 19 -8.381 -0.118 -11.243 1.00 0.00 C ATOM 299 CG PHE A 19 -9.162 -0.831 -12.314 1.00 0.00 C ATOM 300 CD1 PHE A 19 -9.123 -0.390 -13.628 1.00 0.00 C ATOM 301 CD2 PHE A 19 -9.935 -1.942 -12.008 1.00 0.00 C ATOM 302 CE1 PHE A 19 -9.838 -1.041 -14.615 1.00 0.00 C ATOM 303 CE2 PHE A 19 -10.651 -2.597 -12.992 1.00 0.00 C ATOM 304 CZ PHE A 19 -10.603 -2.145 -14.295 1.00 0.00 C ATOM 0 H PHE A 19 -7.995 1.362 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.877 1.894 -11.803 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.343 -0.029 -11.563 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.385 -0.726 -10.339 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.526 0.473 -13.883 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.978 -2.299 -10.990 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.799 -0.687 -15.635 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.248 -3.462 -12.741 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.164 -2.655 -15.064 1.00 0.00 H new ATOM 314 N PHE A 20 -11.274 1.421 -11.397 1.00 0.00 N ATOM 315 CA PHE A 20 -12.704 1.381 -11.139 1.00 0.00 C ATOM 316 C PHE A 20 -13.271 0.001 -11.469 1.00 0.00 C ATOM 317 O PHE A 20 -13.055 -0.526 -12.560 1.00 0.00 O ATOM 318 CB PHE A 20 -13.421 2.469 -11.956 1.00 0.00 C ATOM 319 CG PHE A 20 -13.180 2.389 -13.444 1.00 0.00 C ATOM 320 CD1 PHE A 20 -11.976 2.805 -13.991 1.00 0.00 C ATOM 321 CD2 PHE A 20 -14.161 1.904 -14.293 1.00 0.00 C ATOM 322 CE1 PHE A 20 -11.754 2.736 -15.352 1.00 0.00 C ATOM 323 CE2 PHE A 20 -13.946 1.832 -15.656 1.00 0.00 C ATOM 324 CZ PHE A 20 -12.740 2.248 -16.185 1.00 0.00 C ATOM 0 H PHE A 20 -11.033 1.636 -12.365 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.872 1.574 -10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.493 2.400 -11.769 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.098 3.447 -11.599 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.201 3.188 -13.344 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.106 1.578 -13.884 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -10.811 3.063 -15.764 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.720 1.451 -16.306 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.569 2.191 -17.250 1.00 0.00 H new ATOM 334 N ALA A 21 -13.983 -0.586 -10.521 1.00 0.00 N ATOM 335 CA ALA A 21 -14.557 -1.910 -10.709 1.00 0.00 C ATOM 336 C ALA A 21 -16.007 -1.945 -10.243 1.00 0.00 C ATOM 337 O ALA A 21 -16.453 -1.057 -9.513 1.00 0.00 O ATOM 338 CB ALA A 21 -13.731 -2.949 -9.964 1.00 0.00 C ATOM 0 H ALA A 21 -14.178 -0.167 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.540 -2.145 -11.773 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.169 -3.936 -10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.710 -2.944 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.721 -2.712 -8.900 1.00 0.00 H new ATOM 441 N GLY A 29 -20.136 1.090 -5.784 1.00 0.00 N ATOM 442 CA GLY A 29 -19.271 0.280 -6.619 1.00 0.00 C ATOM 443 C GLY A 29 -18.032 -0.191 -5.886 1.00 0.00 C ATOM 444 O GLY A 29 -17.994 -0.192 -4.657 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.827 -0.585 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.974 0.856 -7.495 1.00 0.00 H new ATOM 448 N ALA A 30 -17.017 -0.592 -6.637 1.00 0.00 N ATOM 449 CA ALA A 30 -15.766 -1.038 -6.045 1.00 0.00 C ATOM 450 C ALA A 30 -14.601 -0.222 -6.581 1.00 0.00 C ATOM 451 O ALA A 30 -14.441 -0.066 -7.790 1.00 0.00 O ATOM 452 CB ALA A 30 -15.546 -2.515 -6.328 1.00 0.00 C ATOM 0 H ALA A 30 -17.036 -0.617 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.824 -0.892 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.606 -2.835 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.367 -3.093 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.508 -2.677 -7.405 1.00 0.00 H new ATOM 458 N ILE A 31 -13.789 0.295 -5.680 1.00 0.00 N ATOM 459 CA ILE A 31 -12.627 1.077 -6.065 1.00 0.00 C ATOM 460 C ILE A 31 -11.372 0.474 -5.454 1.00 0.00 C ATOM 461 O ILE A 31 -11.293 0.287 -4.238 1.00 0.00 O ATOM 462 CB ILE A 31 -12.741 2.564 -5.632 1.00 0.00 C ATOM 463 CG1 ILE A 31 -13.913 3.270 -6.332 1.00 0.00 C ATOM 464 CG2 ILE A 31 -11.444 3.306 -5.924 1.00 0.00 C ATOM 465 CD1 ILE A 31 -15.273 2.974 -5.732 1.00 0.00 C ATOM 0 H ILE A 31 -13.912 0.188 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.572 1.051 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.930 2.577 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -13.743 4.346 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -13.922 2.978 -7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.542 4.346 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.626 2.839 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -11.234 3.264 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.041 3.513 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.470 1.903 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.288 3.293 -4.690 1.00 0.00 H new ATOM 477 N ILE A 32 -10.405 0.149 -6.298 1.00 0.00 N ATOM 478 CA ILE A 32 -9.141 -0.393 -5.829 1.00 0.00 C ATOM 479 C ILE A 32 -8.010 0.600 -6.078 1.00 0.00 C ATOM 480 O ILE A 32 -7.786 1.038 -7.208 1.00 0.00 O ATOM 481 CB ILE A 32 -8.812 -1.756 -6.491 1.00 0.00 C ATOM 482 CG1 ILE A 32 -8.771 -1.639 -8.017 1.00 0.00 C ATOM 483 CG2 ILE A 32 -9.831 -2.806 -6.070 1.00 0.00 C ATOM 484 CD1 ILE A 32 -8.400 -2.932 -8.713 1.00 0.00 C ATOM 0 H ILE A 32 -10.472 0.251 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.239 -0.563 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.823 -2.064 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.747 -1.310 -8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.053 -0.867 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.588 -3.758 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.808 -2.922 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.827 -2.491 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.391 -2.775 -9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.411 -3.251 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.131 -3.702 -8.465 1.00 0.00 H new ATOM 496 N GLY A 33 -7.322 0.977 -5.012 1.00 0.00 N ATOM 497 CA GLY A 33 -6.228 1.918 -5.133 1.00 0.00 C ATOM 498 C GLY A 33 -4.942 1.363 -4.563 1.00 0.00 C ATOM 499 O GLY A 33 -4.921 0.883 -3.431 1.00 0.00 O ATOM 0 H GLY A 33 -7.502 0.648 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.081 2.170 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.485 2.842 -4.616 1.00 0.00 H new ATOM 503 N LEU A 34 -3.876 1.429 -5.346 1.00 0.00 N ATOM 504 CA LEU A 34 -2.587 0.876 -4.947 1.00 0.00 C ATOM 505 C LEU A 34 -1.470 1.871 -5.240 1.00 0.00 C ATOM 506 O LEU A 34 -1.479 2.531 -6.278 1.00 0.00 O ATOM 507 CB LEU A 34 -2.314 -0.430 -5.703 1.00 0.00 C ATOM 508 CG LEU A 34 -3.356 -1.536 -5.513 1.00 0.00 C ATOM 509 CD1 LEU A 34 -3.074 -2.696 -6.453 1.00 0.00 C ATOM 510 CD2 LEU A 34 -3.372 -2.018 -4.072 1.00 0.00 C ATOM 0 H LEU A 34 -3.877 1.863 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.617 0.675 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.240 -0.204 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.343 -0.813 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.338 -1.125 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.823 -3.474 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.112 -2.346 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.084 -3.101 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.119 -2.803 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.390 -2.411 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.618 -1.186 -3.413 1.00 0.00 H new ATOM 522 N MET A 35 -0.514 1.983 -4.329 1.00 0.00 N ATOM 523 CA MET A 35 0.639 2.847 -4.544 1.00 0.00 C ATOM 524 C MET A 35 1.907 2.200 -3.997 1.00 0.00 C ATOM 525 O MET A 35 1.901 1.616 -2.912 1.00 0.00 O ATOM 526 CB MET A 35 0.419 4.225 -3.905 1.00 0.00 C ATOM 527 CG MET A 35 0.303 4.199 -2.388 1.00 0.00 C ATOM 528 SD MET A 35 -0.106 5.811 -1.689 1.00 0.00 S ATOM 529 CE MET A 35 1.282 6.795 -2.247 1.00 0.00 C ATOM 0 H MET A 35 -0.513 1.489 -3.437 1.00 0.00 H new ATOM 0 HA MET A 35 0.759 2.986 -5.618 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.246 4.878 -4.184 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.488 4.665 -4.320 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.462 3.478 -2.099 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.245 3.852 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.326 7.721 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.206 6.235 -2.104 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.160 7.029 -3.305 1.00 0.00 H new ATOM 539 N VAL A 36 2.983 2.290 -4.765 1.00 0.00 N ATOM 540 CA VAL A 36 4.261 1.705 -4.376 1.00 0.00 C ATOM 541 C VAL A 36 5.382 2.728 -4.526 1.00 0.00 C ATOM 542 O VAL A 36 5.403 3.501 -5.486 1.00 0.00 O ATOM 543 CB VAL A 36 4.599 0.456 -5.227 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.921 -0.162 -4.790 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.482 -0.573 -5.149 1.00 0.00 C ATOM 0 H VAL A 36 2.997 2.766 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 36 4.173 1.402 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 36 4.698 0.778 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.134 -1.037 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.721 0.568 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.855 -0.460 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.743 -1.440 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.344 -0.882 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.557 -0.135 -5.523 1.00 0.00 H new ATOM 555 N GLY A 37 6.297 2.737 -3.567 1.00 0.00 N ATOM 556 CA GLY A 37 7.440 3.624 -3.631 1.00 0.00 C ATOM 557 C GLY A 37 8.690 2.952 -3.109 1.00 0.00 C ATOM 558 O GLY A 37 8.654 2.302 -2.066 1.00 0.00 O ATOM 0 H GLY A 37 6.267 2.141 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.599 3.941 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.238 4.523 -3.048 1.00 0.00 H new ATOM 562 N GLY A 38 9.790 3.095 -3.829 1.00 0.00 N ATOM 563 CA GLY A 38 11.014 2.435 -3.436 1.00 0.00 C ATOM 564 C GLY A 38 12.257 3.147 -3.928 1.00 0.00 C ATOM 565 O GLY A 38 12.188 3.998 -4.817 1.00 0.00 O ATOM 0 H GLY A 38 9.857 3.656 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.049 2.365 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.010 1.415 -3.821 1.00 0.00 H new ATOM 569 N VAL A 39 13.393 2.786 -3.350 1.00 0.00 N ATOM 570 CA VAL A 39 14.673 3.388 -3.692 1.00 0.00 C ATOM 571 C VAL A 39 15.685 2.304 -4.063 1.00 0.00 C ATOM 572 O VAL A 39 15.843 1.317 -3.339 1.00 0.00 O ATOM 573 CB VAL A 39 15.234 4.227 -2.520 1.00 0.00 C ATOM 574 CG1 VAL A 39 16.567 4.861 -2.891 1.00 0.00 C ATOM 575 CG2 VAL A 39 14.239 5.297 -2.096 1.00 0.00 C ATOM 0 H VAL A 39 13.453 2.066 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 39 14.508 4.047 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 39 15.398 3.554 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.939 5.445 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.286 4.079 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.432 5.513 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.655 5.874 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.037 5.960 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.310 4.824 -1.776 1.00 0.00 H new ATOM 585 N VAL A 40 16.351 2.487 -5.196 1.00 0.00 N ATOM 586 CA VAL A 40 17.356 1.542 -5.667 1.00 0.00 C ATOM 587 C VAL A 40 18.745 2.162 -5.566 1.00 0.00 C ATOM 588 O VAL A 40 19.098 3.046 -6.350 1.00 0.00 O ATOM 589 CB VAL A 40 17.094 1.127 -7.132 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.124 0.111 -7.608 1.00 0.00 C ATOM 591 CG2 VAL A 40 15.683 0.578 -7.292 1.00 0.00 C ATOM 0 H VAL A 40 16.211 3.289 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 40 17.297 0.655 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 40 17.189 2.017 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.914 -0.162 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.121 0.546 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.074 -0.779 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.520 0.292 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.557 -0.295 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.960 1.343 -7.009 1.00 0.00 H new ATOM 601 N ILE A 41 19.523 1.706 -4.597 1.00 0.00 N ATOM 602 CA ILE A 41 20.860 2.239 -4.376 1.00 0.00 C ATOM 603 C ILE A 41 21.910 1.314 -4.978 1.00 0.00 C ATOM 604 O ILE A 41 22.191 0.244 -4.435 1.00 0.00 O ATOM 605 CB ILE A 41 21.146 2.424 -2.871 1.00 0.00 C ATOM 606 CG1 ILE A 41 20.042 3.262 -2.219 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.505 3.081 -2.666 1.00 0.00 C ATOM 608 CD1 ILE A 41 20.173 3.380 -0.716 1.00 0.00 C ATOM 0 H ILE A 41 19.252 0.966 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 41 20.910 3.212 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 41 21.162 1.443 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.051 4.261 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 41 19.075 2.820 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.692 3.205 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 41 23.282 2.452 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.514 4.057 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 41 19.356 3.987 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 41 20.133 2.387 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 41 21.125 3.851 -0.470 1.00 0.00 H new ATOM 1079 N ALA B 30 21.492 -1.875 -2.166 1.00 0.00 N ATOM 1080 CA ALA B 30 20.310 -1.840 -1.328 1.00 0.00 C ATOM 1081 C ALA B 30 19.092 -1.410 -2.128 1.00 0.00 C ATOM 1082 O ALA B 30 19.095 -0.362 -2.777 1.00 0.00 O ATOM 1083 CB ALA B 30 20.527 -0.908 -0.143 1.00 0.00 C ATOM 0 HA ALA B 30 20.129 -2.846 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.630 -0.893 0.477 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.371 -1.262 0.449 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.735 0.099 -0.505 1.00 0.00 H new ATOM 1089 N ILE B 31 18.054 -2.228 -2.077 1.00 0.00 N ATOM 1090 CA ILE B 31 16.798 -1.920 -2.736 1.00 0.00 C ATOM 1091 C ILE B 31 15.651 -2.052 -1.744 1.00 0.00 C ATOM 1092 O ILE B 31 15.347 -3.146 -1.269 1.00 0.00 O ATOM 1093 CB ILE B 31 16.541 -2.847 -3.946 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.690 -2.738 -4.952 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.214 -2.504 -4.611 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.545 -3.656 -6.147 1.00 0.00 C ATOM 0 H ILE B 31 18.059 -3.119 -1.580 1.00 0.00 H new ATOM 0 HA ILE B 31 16.860 -0.896 -3.104 1.00 0.00 H new ATOM 0 HB ILE B 31 16.489 -3.876 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.757 -1.708 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.628 -2.963 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE B 31 15.051 -3.167 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.404 -2.629 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.237 -1.470 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.396 -3.522 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.509 -4.691 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.625 -3.417 -6.680 1.00 0.00 H new ATOM 1108 N ILE B 32 15.031 -0.935 -1.419 1.00 0.00 N ATOM 1109 CA ILE B 32 13.927 -0.924 -0.477 1.00 0.00 C ATOM 1110 C ILE B 32 12.675 -0.400 -1.168 1.00 0.00 C ATOM 1111 O ILE B 32 12.721 0.617 -1.854 1.00 0.00 O ATOM 1112 CB ILE B 32 14.280 -0.080 0.784 1.00 0.00 C ATOM 1113 CG1 ILE B 32 13.161 -0.134 1.847 1.00 0.00 C ATOM 1114 CG2 ILE B 32 14.604 1.361 0.407 1.00 0.00 C ATOM 1115 CD1 ILE B 32 12.023 0.849 1.632 1.00 0.00 C ATOM 0 H ILE B 32 15.274 -0.018 -1.795 1.00 0.00 H new ATOM 0 HA ILE B 32 13.736 -1.942 -0.137 1.00 0.00 H new ATOM 0 HB ILE B 32 15.171 -0.524 1.228 1.00 0.00 H new ATOM 0 HG12 ILE B 32 12.750 -1.143 1.869 1.00 0.00 H new ATOM 0 HG13 ILE B 32 13.602 0.052 2.826 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.847 1.927 1.307 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.456 1.377 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.741 1.812 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE B 32 11.288 0.735 2.429 1.00 0.00 H new ATOM 0 HD12 ILE B 32 12.414 1.866 1.642 1.00 0.00 H new ATOM 0 HD13 ILE B 32 11.549 0.652 0.670 1.00 0.00 H new ATOM 1127 N GLY B 33 11.574 -1.114 -1.013 1.00 0.00 N ATOM 1128 CA GLY B 33 10.328 -0.692 -1.616 1.00 0.00 C ATOM 1129 C GLY B 33 9.153 -0.928 -0.699 1.00 0.00 C ATOM 1130 O GLY B 33 9.012 -2.011 -0.135 1.00 0.00 O ATOM 0 H GLY B 33 11.520 -1.981 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.386 0.367 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY B 33 10.175 -1.233 -2.550 1.00 0.00 H new ATOM 1134 N LEU B 34 8.321 0.083 -0.533 1.00 0.00 N ATOM 1135 CA LEU B 34 7.154 -0.025 0.324 1.00 0.00 C ATOM 1136 C LEU B 34 5.885 0.104 -0.503 1.00 0.00 C ATOM 1137 O LEU B 34 5.842 0.866 -1.474 1.00 0.00 O ATOM 1138 CB LEU B 34 7.187 1.050 1.414 1.00 0.00 C ATOM 1139 CG LEU B 34 8.394 0.990 2.353 1.00 0.00 C ATOM 1140 CD1 LEU B 34 8.327 2.108 3.380 1.00 0.00 C ATOM 1141 CD2 LEU B 34 8.470 -0.363 3.044 1.00 0.00 C ATOM 0 H LEU B 34 8.432 0.992 -0.982 1.00 0.00 H new ATOM 0 HA LEU B 34 7.165 -1.004 0.804 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.167 2.030 0.936 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.278 0.968 2.011 1.00 0.00 H new ATOM 0 HG LEU B 34 9.297 1.122 1.757 1.00 0.00 H new ATOM 0 HD11 LEU B 34 9.193 2.049 4.039 1.00 0.00 H new ATOM 0 HD12 LEU B 34 8.324 3.071 2.870 1.00 0.00 H new ATOM 0 HD13 LEU B 34 7.416 2.007 3.969 1.00 0.00 H new ATOM 0 HD21 LEU B 34 9.335 -0.385 3.707 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.563 -0.526 3.626 1.00 0.00 H new ATOM 0 HD23 LEU B 34 8.567 -1.149 2.295 1.00 0.00 H new ATOM 1153 N MET B 35 4.861 -0.643 -0.126 1.00 0.00 N ATOM 1154 CA MET B 35 3.615 -0.649 -0.872 1.00 0.00 C ATOM 1155 C MET B 35 2.419 -0.578 0.068 1.00 0.00 C ATOM 1156 O MET B 35 2.401 -1.212 1.122 1.00 0.00 O ATOM 1157 CB MET B 35 3.523 -1.899 -1.754 1.00 0.00 C ATOM 1158 CG MET B 35 3.593 -3.209 -0.983 1.00 0.00 C ATOM 1159 SD MET B 35 3.512 -4.657 -2.057 1.00 0.00 S ATOM 1160 CE MET B 35 1.893 -4.448 -2.793 1.00 0.00 C ATOM 0 H MET B 35 4.868 -1.253 0.692 1.00 0.00 H new ATOM 0 HA MET B 35 3.601 0.233 -1.512 1.00 0.00 H new ATOM 0 HB2 MET B 35 2.588 -1.868 -2.313 1.00 0.00 H new ATOM 0 HB3 MET B 35 4.332 -1.876 -2.484 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.520 -3.239 -0.410 1.00 0.00 H new ATOM 0 HG3 MET B 35 2.773 -3.248 -0.266 1.00 0.00 H new ATOM 0 HE1 MET B 35 1.405 -5.419 -2.881 1.00 0.00 H new ATOM 0 HE2 MET B 35 1.289 -3.794 -2.164 1.00 0.00 H new ATOM 0 HE3 MET B 35 1.998 -4.003 -3.783 1.00 0.00 H new ATOM 1170 N VAL B 36 1.429 0.208 -0.318 1.00 0.00 N ATOM 1171 CA VAL B 36 0.216 0.352 0.467 1.00 0.00 C ATOM 1172 C VAL B 36 -0.969 0.628 -0.454 1.00 0.00 C ATOM 1173 O VAL B 36 -0.815 1.244 -1.511 1.00 0.00 O ATOM 1174 CB VAL B 36 0.357 1.481 1.520 1.00 0.00 C ATOM 1175 CG1 VAL B 36 0.590 2.827 0.855 1.00 0.00 C ATOM 1176 CG2 VAL B 36 -0.858 1.536 2.433 1.00 0.00 C ATOM 0 H VAL B 36 1.442 0.759 -1.176 1.00 0.00 H new ATOM 0 HA VAL B 36 0.043 -0.581 1.003 1.00 0.00 H new ATOM 0 HB VAL B 36 1.229 1.251 2.132 1.00 0.00 H new ATOM 0 HG11 VAL B 36 0.685 3.599 1.619 1.00 0.00 H new ATOM 0 HG12 VAL B 36 1.505 2.787 0.264 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.252 3.062 0.204 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.730 2.337 3.161 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.752 1.725 1.838 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.964 0.585 2.955 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.138 0.143 -0.070 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.321 0.358 -0.870 1.00 0.00 C ATOM 1188 C GLY B 37 -4.590 0.037 -0.114 1.00 0.00 C ATOM 1189 O GLY B 37 -4.540 -0.423 1.029 1.00 0.00 O ATOM 0 H GLY B 37 -2.288 -0.396 0.783 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.350 1.396 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.268 -0.260 -1.766 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.723 0.271 -0.751 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.994 0.023 -0.115 1.00 0.00 C ATOM 1195 C GLY B 38 -8.077 -0.312 -1.116 1.00 0.00 C ATOM 1196 O GLY B 38 -8.067 0.183 -2.245 1.00 0.00 O ATOM 0 H GLY B 38 -5.784 0.631 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.890 -0.799 0.594 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -7.290 0.902 0.457 1.00 0.00 H new ATOM 1200 N VAL B 39 -9.002 -1.164 -0.706 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.119 -1.555 -1.547 1.00 0.00 C ATOM 1202 C VAL B 39 -11.436 -1.242 -0.848 1.00 0.00 C ATOM 1203 O VAL B 39 -11.632 -1.601 0.316 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.070 -3.066 -1.873 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -11.232 -3.470 -2.769 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -8.739 -3.439 -2.512 1.00 0.00 C ATOM 0 H VAL B 39 -8.999 -1.602 0.215 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.048 -0.991 -2.477 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.163 -3.614 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -11.173 -4.537 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.173 -3.252 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.183 -2.910 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -8.728 -4.506 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.609 -2.876 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -7.927 -3.202 -1.825 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.332 -0.569 -1.551 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.649 -0.263 -1.013 1.00 0.00 C ATOM 1218 C VAL B 40 -14.743 -0.759 -1.954 1.00 0.00 C ATOM 1219 O VAL B 40 -14.846 -0.318 -3.099 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.830 1.251 -0.738 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -13.005 1.675 0.467 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -13.447 2.081 -1.956 1.00 0.00 C ATOM 0 H VAL B 40 -12.172 -0.223 -2.497 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.733 -0.784 -0.059 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.884 1.428 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -13.144 2.741 0.646 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -13.328 1.115 1.344 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -11.951 1.473 0.275 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -13.584 3.139 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.403 1.896 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.079 1.803 -2.799 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.531 -1.711 -1.478 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.629 -2.260 -2.260 1.00 0.00 C ATOM 1234 C ILE B 41 -17.962 -1.988 -1.572 1.00 0.00 C ATOM 1235 O ILE B 41 -18.156 -2.360 -0.411 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.471 -3.782 -2.468 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -15.092 -4.107 -3.052 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.572 -4.309 -3.377 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -14.839 -5.588 -3.231 1.00 0.00 C ATOM 0 H ILE B 41 -15.430 -2.121 -0.550 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.609 -1.770 -3.233 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.556 -4.273 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -14.990 -3.611 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.324 -3.693 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.447 -5.383 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.544 -4.111 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.515 -3.810 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -13.844 -5.739 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -14.907 -6.088 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -15.584 -6.005 -3.909 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.864 -1.326 -2.279 1.00 0.00 N ATOM 1252 CA ALA B 42 -20.200 -1.058 -1.770 1.00 0.00 C ATOM 1253 C ALA B 42 -21.149 -0.778 -2.927 1.00 0.00 C ATOM 1254 O ALA B 42 -21.145 0.362 -3.433 1.00 0.00 O ATOM 1255 CB ALA B 42 -20.185 0.110 -0.796 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.870 -1.706 -3.337 1.00 0.00 O ATOM 0 H ALA B 42 -18.693 -0.961 -3.216 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.550 -1.939 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -21.195 0.291 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.531 -0.125 0.044 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -19.818 1.002 -1.303 1.00 0.00 H new ATOM 1394 N TYR C 10 -21.018 -9.101 11.113 1.00 0.00 N ATOM 1395 CA TYR C 10 -20.051 -8.785 10.078 1.00 0.00 C ATOM 1396 C TYR C 10 -18.863 -9.722 10.190 1.00 0.00 C ATOM 1397 O TYR C 10 -18.568 -10.227 11.270 1.00 0.00 O ATOM 1398 CB TYR C 10 -19.594 -7.323 10.187 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.829 -6.997 11.452 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -19.492 -6.605 12.607 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -17.442 -7.074 11.487 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -18.795 -6.300 13.760 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -16.740 -6.774 12.636 1.00 0.00 C ATOM 1404 CZ TYR C 10 -17.421 -6.386 13.769 1.00 0.00 C ATOM 1405 OH TYR C 10 -16.724 -6.081 14.912 1.00 0.00 O ATOM 0 HA TYR C 10 -20.521 -8.918 9.104 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -18.967 -7.086 9.327 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -20.470 -6.677 10.130 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -20.570 -6.537 12.604 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -16.904 -7.374 10.600 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -19.325 -5.996 14.650 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -15.662 -6.843 12.647 1.00 0.00 H new ATOM 0 HH TYR C 10 -15.764 -6.194 14.750 1.00 0.00 H new ATOM 1415 N GLU C 11 -18.192 -9.957 9.079 1.00 0.00 N ATOM 1416 CA GLU C 11 -17.048 -10.850 9.065 1.00 0.00 C ATOM 1417 C GLU C 11 -15.761 -10.043 8.966 1.00 0.00 C ATOM 1418 O GLU C 11 -15.742 -8.958 8.380 1.00 0.00 O ATOM 1419 CB GLU C 11 -17.156 -11.836 7.897 1.00 0.00 C ATOM 1420 CG GLU C 11 -16.091 -12.921 7.917 1.00 0.00 C ATOM 1421 CD GLU C 11 -16.075 -13.687 9.224 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -15.485 -13.180 10.203 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -16.658 -14.790 9.277 1.00 0.00 O ATOM 0 H GLU C 11 -18.418 -9.543 8.175 1.00 0.00 H new ATOM 0 HA GLU C 11 -17.033 -11.420 9.994 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -18.140 -12.304 7.917 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -17.084 -11.285 6.959 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -16.266 -13.614 7.094 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -15.113 -12.470 7.751 1.00 0.00 H new ATOM 1430 N VAL C 12 -14.694 -10.564 9.547 1.00 0.00 N ATOM 1431 CA VAL C 12 -13.415 -9.876 9.540 1.00 0.00 C ATOM 1432 C VAL C 12 -12.366 -10.677 8.778 1.00 0.00 C ATOM 1433 O VAL C 12 -12.239 -11.890 8.952 1.00 0.00 O ATOM 1434 CB VAL C 12 -12.909 -9.589 10.971 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -13.754 -8.509 11.630 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -12.913 -10.857 11.814 1.00 0.00 C ATOM 0 H VAL C 12 -14.688 -11.462 10.030 1.00 0.00 H new ATOM 0 HA VAL C 12 -13.573 -8.923 9.035 1.00 0.00 H new ATOM 0 HB VAL C 12 -11.882 -9.231 10.901 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -13.383 -8.320 12.637 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -13.694 -7.592 11.044 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -14.791 -8.840 11.682 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.553 -10.628 12.817 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -13.928 -11.251 11.874 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.262 -11.601 11.355 1.00 0.00 H new ATOM 1446 N HIS C 13 -11.627 -9.994 7.923 1.00 0.00 N ATOM 1447 CA HIS C 13 -10.565 -10.624 7.162 1.00 0.00 C ATOM 1448 C HIS C 13 -9.235 -10.005 7.559 1.00 0.00 C ATOM 1449 O HIS C 13 -9.126 -8.788 7.669 1.00 0.00 O ATOM 1450 CB HIS C 13 -10.813 -10.443 5.657 1.00 0.00 C ATOM 1451 CG HIS C 13 -9.903 -11.252 4.777 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -10.321 -12.378 4.101 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -8.596 -11.088 4.453 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -9.315 -12.872 3.406 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -8.256 -12.110 3.600 1.00 0.00 N ATOM 0 H HIS C 13 -11.744 -8.998 7.738 1.00 0.00 H new ATOM 0 HA HIS C 13 -10.544 -11.692 7.378 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -11.846 -10.712 5.436 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -10.698 -9.388 5.406 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -7.944 -10.300 4.801 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -9.352 -13.753 2.782 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -7.336 -12.256 3.185 1.00 0.00 H new ATOM 1464 N HIS C 14 -8.234 -10.836 7.781 1.00 0.00 N ATOM 1465 CA HIS C 14 -6.912 -10.355 8.150 1.00 0.00 C ATOM 1466 C HIS C 14 -5.887 -11.462 7.972 1.00 0.00 C ATOM 1467 O HIS C 14 -6.136 -12.611 8.338 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.906 -9.849 9.601 1.00 0.00 C ATOM 1469 CG HIS C 14 -5.579 -9.314 10.062 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -5.228 -7.983 9.975 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -4.519 -9.942 10.623 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -4.012 -7.818 10.458 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -3.560 -8.989 10.858 1.00 0.00 N ATOM 0 H HIS C 14 -8.310 -11.851 7.712 1.00 0.00 H new ATOM 0 HA HIS C 14 -6.650 -9.523 7.497 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -7.656 -9.065 9.704 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -7.205 -10.665 10.260 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -4.442 -10.996 10.844 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -3.477 -6.881 10.516 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -2.645 -9.160 11.275 1.00 0.00 H new ATOM 1482 N GLN C 15 -4.747 -11.112 7.403 1.00 0.00 N ATOM 1483 CA GLN C 15 -3.662 -12.059 7.220 1.00 0.00 C ATOM 1484 C GLN C 15 -2.338 -11.317 7.090 1.00 0.00 C ATOM 1485 O GLN C 15 -2.263 -10.276 6.431 1.00 0.00 O ATOM 1486 CB GLN C 15 -3.906 -12.918 5.979 1.00 0.00 C ATOM 1487 CG GLN C 15 -2.950 -14.093 5.856 1.00 0.00 C ATOM 1488 CD GLN C 15 -3.188 -14.912 4.605 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -3.602 -14.389 3.573 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -2.946 -16.207 4.696 1.00 0.00 N ATOM 0 H GLN C 15 -4.548 -10.173 7.058 1.00 0.00 H new ATOM 0 HA GLN C 15 -3.619 -12.712 8.092 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -4.929 -13.293 6.002 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -3.816 -12.293 5.091 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -1.925 -13.723 5.853 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -3.055 -14.735 6.731 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -2.603 -16.601 5.572 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -3.102 -16.813 3.890 1.00 0.00 H new ATOM 1499 N LYS C 16 -1.311 -11.839 7.739 1.00 0.00 N ATOM 1500 CA LYS C 16 0.023 -11.263 7.666 1.00 0.00 C ATOM 1501 C LYS C 16 1.015 -12.339 7.240 1.00 0.00 C ATOM 1502 O LYS C 16 1.077 -13.409 7.847 1.00 0.00 O ATOM 1503 CB LYS C 16 0.401 -10.671 9.028 1.00 0.00 C ATOM 1504 CG LYS C 16 1.726 -9.927 9.049 1.00 0.00 C ATOM 1505 CD LYS C 16 1.914 -9.201 10.372 1.00 0.00 C ATOM 1506 CE LYS C 16 3.211 -8.414 10.417 1.00 0.00 C ATOM 1507 NZ LYS C 16 4.405 -9.293 10.323 1.00 0.00 N ATOM 0 H LYS C 16 -1.376 -12.669 8.328 1.00 0.00 H new ATOM 0 HA LYS C 16 0.045 -10.462 6.927 1.00 0.00 H new ATOM 0 HB2 LYS C 16 -0.388 -9.989 9.345 1.00 0.00 H new ATOM 0 HB3 LYS C 16 0.440 -11.476 9.761 1.00 0.00 H new ATOM 0 HG2 LYS C 16 2.545 -10.629 8.894 1.00 0.00 H new ATOM 0 HG3 LYS C 16 1.760 -9.211 8.228 1.00 0.00 H new ATOM 0 HD2 LYS C 16 1.075 -8.524 10.535 1.00 0.00 H new ATOM 0 HD3 LYS C 16 1.902 -9.925 11.186 1.00 0.00 H new ATOM 0 HE2 LYS C 16 3.226 -7.695 9.598 1.00 0.00 H new ATOM 0 HE3 LYS C 16 3.255 -7.842 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 5.264 -8.732 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 4.338 -10.047 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 4.451 -9.716 9.374 1.00 0.00 H new ATOM 1521 N LEU C 17 1.779 -12.059 6.195 1.00 0.00 N ATOM 1522 CA LEU C 17 2.685 -13.043 5.621 1.00 0.00 C ATOM 1523 C LEU C 17 4.060 -12.442 5.361 1.00 0.00 C ATOM 1524 O LEU C 17 4.174 -11.320 4.865 1.00 0.00 O ATOM 1525 CB LEU C 17 2.111 -13.590 4.310 1.00 0.00 C ATOM 1526 CG LEU C 17 0.803 -14.373 4.439 1.00 0.00 C ATOM 1527 CD1 LEU C 17 0.229 -14.676 3.065 1.00 0.00 C ATOM 1528 CD2 LEU C 17 1.026 -15.662 5.215 1.00 0.00 C ATOM 0 H LEU C 17 1.789 -11.154 5.725 1.00 0.00 H new ATOM 0 HA LEU C 17 2.792 -13.855 6.340 1.00 0.00 H new ATOM 0 HB2 LEU C 17 1.948 -12.755 3.629 1.00 0.00 H new ATOM 0 HB3 LEU C 17 2.857 -14.237 3.849 1.00 0.00 H new ATOM 0 HG LEU C 17 0.088 -13.760 4.987 1.00 0.00 H new ATOM 0 HD11 LEU C 17 -0.701 -15.233 3.174 1.00 0.00 H new ATOM 0 HD12 LEU C 17 0.033 -13.742 2.539 1.00 0.00 H new ATOM 0 HD13 LEU C 17 0.943 -15.270 2.495 1.00 0.00 H new ATOM 0 HD21 LEU C 17 0.085 -16.205 5.296 1.00 0.00 H new ATOM 0 HD22 LEU C 17 1.757 -16.279 4.693 1.00 0.00 H new ATOM 0 HD23 LEU C 17 1.396 -15.427 6.213 1.00 0.00 H new ATOM 1540 N VAL C 18 5.096 -13.197 5.693 1.00 0.00 N ATOM 1541 CA VAL C 18 6.470 -12.783 5.445 1.00 0.00 C ATOM 1542 C VAL C 18 7.237 -13.918 4.779 1.00 0.00 C ATOM 1543 O VAL C 18 7.373 -15.001 5.348 1.00 0.00 O ATOM 1544 CB VAL C 18 7.194 -12.370 6.748 1.00 0.00 C ATOM 1545 CG1 VAL C 18 8.647 -12.013 6.470 1.00 0.00 C ATOM 1546 CG2 VAL C 18 6.482 -11.201 7.413 1.00 0.00 C ATOM 0 H VAL C 18 5.010 -14.110 6.140 1.00 0.00 H new ATOM 0 HA VAL C 18 6.438 -11.913 4.789 1.00 0.00 H new ATOM 0 HB VAL C 18 7.172 -13.221 7.428 1.00 0.00 H new ATOM 0 HG11 VAL C 18 9.136 -11.726 7.401 1.00 0.00 H new ATOM 0 HG12 VAL C 18 9.158 -12.876 6.043 1.00 0.00 H new ATOM 0 HG13 VAL C 18 8.689 -11.181 5.767 1.00 0.00 H new ATOM 0 HG21 VAL C 18 7.008 -10.927 8.327 1.00 0.00 H new ATOM 0 HG22 VAL C 18 6.468 -10.349 6.733 1.00 0.00 H new ATOM 0 HG23 VAL C 18 5.459 -11.488 7.655 1.00 0.00 H new ATOM 1556 N PHE C 19 7.728 -13.675 3.574 1.00 0.00 N ATOM 1557 CA PHE C 19 8.421 -14.704 2.818 1.00 0.00 C ATOM 1558 C PHE C 19 9.897 -14.360 2.658 1.00 0.00 C ATOM 1559 O PHE C 19 10.265 -13.196 2.472 1.00 0.00 O ATOM 1560 CB PHE C 19 7.760 -14.893 1.446 1.00 0.00 C ATOM 1561 CG PHE C 19 8.396 -15.964 0.603 1.00 0.00 C ATOM 1562 CD1 PHE C 19 8.277 -17.300 0.952 1.00 0.00 C ATOM 1563 CD2 PHE C 19 9.110 -15.635 -0.540 1.00 0.00 C ATOM 1564 CE1 PHE C 19 8.859 -18.285 0.178 1.00 0.00 C ATOM 1565 CE2 PHE C 19 9.694 -16.618 -1.317 1.00 0.00 C ATOM 1566 CZ PHE C 19 9.568 -17.945 -0.957 1.00 0.00 C ATOM 0 H PHE C 19 7.659 -12.775 3.100 1.00 0.00 H new ATOM 0 HA PHE C 19 8.351 -15.641 3.371 1.00 0.00 H new ATOM 0 HB2 PHE C 19 6.708 -15.137 1.592 1.00 0.00 H new ATOM 0 HB3 PHE C 19 7.796 -13.948 0.903 1.00 0.00 H new ATOM 0 HD1 PHE C 19 7.724 -17.574 1.838 1.00 0.00 H new ATOM 0 HD2 PHE C 19 9.211 -14.599 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE C 19 8.759 -19.322 0.461 1.00 0.00 H new ATOM 0 HE2 PHE C 19 10.248 -16.348 -2.204 1.00 0.00 H new ATOM 0 HZ PHE C 19 10.023 -18.715 -1.562 1.00 0.00 H new ATOM 1576 N PHE C 20 10.731 -15.385 2.743 1.00 0.00 N ATOM 1577 CA PHE C 20 12.170 -15.232 2.612 1.00 0.00 C ATOM 1578 C PHE C 20 12.608 -15.500 1.173 1.00 0.00 C ATOM 1579 O PHE C 20 12.271 -16.532 0.595 1.00 0.00 O ATOM 1580 CB PHE C 20 12.892 -16.183 3.582 1.00 0.00 C ATOM 1581 CG PHE C 20 12.525 -17.637 3.421 1.00 0.00 C ATOM 1582 CD1 PHE C 20 11.313 -18.120 3.892 1.00 0.00 C ATOM 1583 CD2 PHE C 20 13.394 -18.516 2.799 1.00 0.00 C ATOM 1584 CE1 PHE C 20 10.979 -19.452 3.745 1.00 0.00 C ATOM 1585 CE2 PHE C 20 13.064 -19.849 2.650 1.00 0.00 C ATOM 1586 CZ PHE C 20 11.854 -20.316 3.121 1.00 0.00 C ATOM 0 H PHE C 20 10.429 -16.346 2.905 1.00 0.00 H new ATOM 0 HA PHE C 20 12.438 -14.206 2.864 1.00 0.00 H new ATOM 0 HB2 PHE C 20 13.968 -16.075 3.443 1.00 0.00 H new ATOM 0 HB3 PHE C 20 12.670 -15.876 4.604 1.00 0.00 H new ATOM 0 HD1 PHE C 20 10.623 -17.447 4.379 1.00 0.00 H new ATOM 0 HD2 PHE C 20 14.341 -18.156 2.426 1.00 0.00 H new ATOM 0 HE1 PHE C 20 10.033 -19.817 4.118 1.00 0.00 H new ATOM 0 HE2 PHE C 20 13.753 -20.525 2.165 1.00 0.00 H new ATOM 0 HZ PHE C 20 11.593 -21.357 3.001 1.00 0.00 H new ATOM 1703 N GLY C 29 19.973 -10.450 2.116 1.00 0.00 N ATOM 1704 CA GLY C 29 18.990 -11.157 1.317 1.00 0.00 C ATOM 1705 C GLY C 29 17.784 -10.301 0.994 1.00 0.00 C ATOM 1706 O GLY C 29 17.845 -9.076 1.079 1.00 0.00 O ATOM 0 HA2 GLY C 29 19.453 -11.492 0.389 1.00 0.00 H new ATOM 0 HA3 GLY C 29 18.666 -12.050 1.852 1.00 0.00 H new ATOM 1710 N ALA C 30 16.682 -10.940 0.622 1.00 0.00 N ATOM 1711 CA ALA C 30 15.456 -10.221 0.315 1.00 0.00 C ATOM 1712 C ALA C 30 14.312 -10.726 1.182 1.00 0.00 C ATOM 1713 O ALA C 30 14.070 -11.927 1.272 1.00 0.00 O ATOM 1714 CB ALA C 30 15.106 -10.373 -1.157 1.00 0.00 C ATOM 0 H ALA C 30 16.614 -11.953 0.526 1.00 0.00 H new ATOM 0 HA ALA C 30 15.614 -9.164 0.529 1.00 0.00 H new ATOM 0 HB1 ALA C 30 14.186 -9.829 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.915 -9.971 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.966 -11.428 -1.391 1.00 0.00 H new ATOM 1720 N ILE C 31 13.615 -9.807 1.822 1.00 0.00 N ATOM 1721 CA ILE C 31 12.486 -10.161 2.665 1.00 0.00 C ATOM 1722 C ILE C 31 11.243 -9.413 2.205 1.00 0.00 C ATOM 1723 O ILE C 31 11.248 -8.183 2.113 1.00 0.00 O ATOM 1724 CB ILE C 31 12.739 -9.848 4.166 1.00 0.00 C ATOM 1725 CG1 ILE C 31 13.896 -10.685 4.732 1.00 0.00 C ATOM 1726 CG2 ILE C 31 11.477 -10.095 4.984 1.00 0.00 C ATOM 1727 CD1 ILE C 31 15.275 -10.170 4.375 1.00 0.00 C ATOM 0 H ILE C 31 13.810 -8.807 1.775 1.00 0.00 H new ATOM 0 HA ILE C 31 12.344 -11.238 2.569 1.00 0.00 H new ATOM 0 HB ILE C 31 13.014 -8.796 4.236 1.00 0.00 H new ATOM 0 HG12 ILE C 31 13.805 -10.721 5.818 1.00 0.00 H new ATOM 0 HG13 ILE C 31 13.799 -11.708 4.370 1.00 0.00 H new ATOM 0 HG21 ILE C 31 11.673 -9.871 6.032 1.00 0.00 H new ATOM 0 HG22 ILE C 31 10.675 -9.453 4.619 1.00 0.00 H new ATOM 0 HG23 ILE C 31 11.178 -11.139 4.886 1.00 0.00 H new ATOM 0 HD11 ILE C 31 16.031 -10.820 4.815 1.00 0.00 H new ATOM 0 HD12 ILE C 31 15.391 -10.161 3.291 1.00 0.00 H new ATOM 0 HD13 ILE C 31 15.397 -9.158 4.761 1.00 0.00 H new ATOM 1739 N ILE C 32 10.190 -10.155 1.896 1.00 0.00 N ATOM 1740 CA ILE C 32 8.935 -9.550 1.485 1.00 0.00 C ATOM 1741 C ILE C 32 7.859 -9.787 2.540 1.00 0.00 C ATOM 1742 O ILE C 32 7.571 -10.928 2.909 1.00 0.00 O ATOM 1743 CB ILE C 32 8.455 -10.080 0.110 1.00 0.00 C ATOM 1744 CG1 ILE C 32 8.298 -11.603 0.124 1.00 0.00 C ATOM 1745 CG2 ILE C 32 9.426 -9.661 -0.984 1.00 0.00 C ATOM 1746 CD1 ILE C 32 7.781 -12.171 -1.181 1.00 0.00 C ATOM 0 H ILE C 32 10.181 -11.175 1.922 1.00 0.00 H new ATOM 0 HA ILE C 32 9.112 -8.479 1.383 1.00 0.00 H new ATOM 0 HB ILE C 32 7.477 -9.644 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.262 -12.057 0.352 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.617 -11.882 0.928 1.00 0.00 H new ATOM 0 HG21 ILE C 32 9.077 -10.040 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE C 32 9.484 -8.573 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.414 -10.070 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE C 32 7.695 -13.254 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE C 32 6.802 -11.745 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.473 -11.923 -1.985 1.00 0.00 H new ATOM 1758 N GLY C 33 7.288 -8.705 3.043 1.00 0.00 N ATOM 1759 CA GLY C 33 6.258 -8.816 4.054 1.00 0.00 C ATOM 1760 C GLY C 33 4.987 -8.111 3.640 1.00 0.00 C ATOM 1761 O GLY C 33 5.027 -6.950 3.237 1.00 0.00 O ATOM 0 H GLY C 33 7.519 -7.750 2.769 1.00 0.00 H new ATOM 0 HA2 GLY C 33 6.045 -9.868 4.242 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.621 -8.392 4.990 1.00 0.00 H new ATOM 1765 N LEU C 34 3.866 -8.810 3.739 1.00 0.00 N ATOM 1766 CA LEU C 34 2.579 -8.272 3.316 1.00 0.00 C ATOM 1767 C LEU C 34 1.517 -8.553 4.372 1.00 0.00 C ATOM 1768 O LEU C 34 1.491 -9.633 4.960 1.00 0.00 O ATOM 1769 CB LEU C 34 2.151 -8.903 1.987 1.00 0.00 C ATOM 1770 CG LEU C 34 3.125 -8.717 0.821 1.00 0.00 C ATOM 1771 CD1 LEU C 34 2.686 -9.546 -0.375 1.00 0.00 C ATOM 1772 CD2 LEU C 34 3.227 -7.248 0.441 1.00 0.00 C ATOM 0 H LEU C 34 3.821 -9.758 4.111 1.00 0.00 H new ATOM 0 HA LEU C 34 2.683 -7.195 3.187 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.001 -9.971 2.144 1.00 0.00 H new ATOM 0 HB3 LEU C 34 1.186 -8.484 1.701 1.00 0.00 H new ATOM 0 HG LEU C 34 4.110 -9.060 1.137 1.00 0.00 H new ATOM 0 HD11 LEU C 34 3.389 -9.402 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU C 34 2.662 -10.600 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.691 -9.231 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU C 34 3.924 -7.135 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU C 34 2.245 -6.880 0.144 1.00 0.00 H new ATOM 0 HD23 LEU C 34 3.586 -6.675 1.296 1.00 0.00 H new ATOM 1784 N MET C 35 0.647 -7.581 4.621 1.00 0.00 N ATOM 1785 CA MET C 35 -0.454 -7.774 5.556 1.00 0.00 C ATOM 1786 C MET C 35 -1.716 -7.084 5.045 1.00 0.00 C ATOM 1787 O MET C 35 -1.664 -5.962 4.533 1.00 0.00 O ATOM 1788 CB MET C 35 -0.085 -7.257 6.953 1.00 0.00 C ATOM 1789 CG MET C 35 0.148 -5.756 7.021 1.00 0.00 C ATOM 1790 SD MET C 35 0.730 -5.212 8.639 1.00 0.00 S ATOM 1791 CE MET C 35 -0.622 -5.744 9.688 1.00 0.00 C ATOM 0 H MET C 35 0.682 -6.657 4.191 1.00 0.00 H new ATOM 0 HA MET C 35 -0.650 -8.843 5.633 1.00 0.00 H new ATOM 0 HB2 MET C 35 -0.882 -7.521 7.648 1.00 0.00 H new ATOM 0 HB3 MET C 35 0.816 -7.769 7.291 1.00 0.00 H new ATOM 0 HG2 MET C 35 0.878 -5.471 6.263 1.00 0.00 H new ATOM 0 HG3 MET C 35 -0.780 -5.238 6.781 1.00 0.00 H new ATOM 0 HE1 MET C 35 -0.564 -5.228 10.646 1.00 0.00 H new ATOM 0 HE2 MET C 35 -1.571 -5.509 9.206 1.00 0.00 H new ATOM 0 HE3 MET C 35 -0.555 -6.820 9.851 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.843 -7.772 5.166 1.00 0.00 N ATOM 1802 CA VAL C 36 -4.123 -7.246 4.710 1.00 0.00 C ATOM 1803 C VAL C 36 -5.175 -7.388 5.805 1.00 0.00 C ATOM 1804 O VAL C 36 -5.221 -8.403 6.504 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.618 -7.974 3.435 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.943 -7.396 2.955 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.576 -7.902 2.329 1.00 0.00 C ATOM 0 H VAL C 36 -2.897 -8.703 5.579 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.974 -6.193 4.473 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.775 -9.022 3.691 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -6.267 -7.925 2.059 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.694 -7.511 3.736 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.817 -6.338 2.726 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -3.947 -8.420 1.445 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.379 -6.859 2.082 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.654 -8.375 2.666 1.00 0.00 H new ATOM 1817 N GLY C 37 -6.004 -6.366 5.953 1.00 0.00 N ATOM 1818 CA GLY C 37 -7.082 -6.409 6.917 1.00 0.00 C ATOM 1819 C GLY C 37 -8.330 -5.749 6.376 1.00 0.00 C ATOM 1820 O GLY C 37 -8.258 -4.672 5.788 1.00 0.00 O ATOM 0 H GLY C 37 -5.948 -5.500 5.417 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.299 -7.445 7.176 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.772 -5.909 7.835 1.00 0.00 H new ATOM 1824 N GLY C 38 -9.473 -6.388 6.562 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.705 -5.854 6.029 1.00 0.00 C ATOM 1826 C GLY C 38 -11.931 -6.305 6.793 1.00 0.00 C ATOM 1827 O GLY C 38 -11.879 -7.264 7.564 1.00 0.00 O ATOM 0 H GLY C 38 -9.569 -7.266 7.072 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.657 -4.765 6.042 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.803 -6.156 4.986 1.00 0.00 H new ATOM 1831 N VAL C 39 -13.037 -5.611 6.564 1.00 0.00 N ATOM 1832 CA VAL C 39 -14.297 -5.901 7.236 1.00 0.00 C ATOM 1833 C VAL C 39 -15.409 -6.114 6.209 1.00 0.00 C ATOM 1834 O VAL C 39 -15.577 -5.311 5.286 1.00 0.00 O ATOM 1835 CB VAL C 39 -14.702 -4.758 8.195 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -16.011 -5.078 8.900 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -13.601 -4.495 9.211 1.00 0.00 C ATOM 0 H VAL C 39 -13.087 -4.832 5.908 1.00 0.00 H new ATOM 0 HA VAL C 39 -14.155 -6.811 7.820 1.00 0.00 H new ATOM 0 HB VAL C 39 -14.847 -3.856 7.601 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -16.274 -4.258 9.569 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -16.800 -5.210 8.160 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -15.898 -5.996 9.477 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -13.905 -3.687 9.877 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -13.421 -5.398 9.795 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -12.686 -4.211 8.691 1.00 0.00 H new ATOM 1847 N VAL C 40 -16.150 -7.203 6.364 1.00 0.00 N ATOM 1848 CA VAL C 40 -17.256 -7.523 5.472 1.00 0.00 C ATOM 1849 C VAL C 40 -18.585 -7.362 6.203 1.00 0.00 C ATOM 1850 O VAL C 40 -18.937 -8.181 7.055 1.00 0.00 O ATOM 1851 CB VAL C 40 -17.147 -8.968 4.938 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -18.281 -9.286 3.972 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -15.797 -9.195 4.275 1.00 0.00 C ATOM 0 H VAL C 40 -16.003 -7.886 7.107 1.00 0.00 H new ATOM 0 HA VAL C 40 -17.209 -6.833 4.629 1.00 0.00 H new ATOM 0 HB VAL C 40 -17.232 -9.646 5.788 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -18.177 -10.310 3.613 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -19.237 -9.176 4.484 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.242 -8.599 3.126 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -15.741 -10.219 3.906 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -15.680 -8.502 3.442 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -15.002 -9.027 5.002 1.00 0.00 H new ATOM 1863 N ILE C 41 -19.312 -6.306 5.878 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.586 -6.026 6.524 1.00 0.00 C ATOM 1865 C ILE C 41 -21.745 -6.478 5.640 1.00 0.00 C ATOM 1866 O ILE C 41 -22.050 -5.841 4.628 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.737 -4.521 6.834 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.525 -4.019 7.625 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -22.024 -4.264 7.609 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -19.521 -2.522 7.851 1.00 0.00 C ATOM 0 H ILE C 41 -19.041 -5.625 5.168 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.607 -6.581 7.462 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.788 -3.974 5.892 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.499 -4.523 8.591 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -18.615 -4.300 7.095 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -22.115 -3.198 7.820 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.878 -4.591 7.015 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -22.001 -4.819 8.547 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -18.633 -2.242 8.418 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -19.515 -2.009 6.889 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -20.413 -2.236 8.409 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.330 -3.472 2.634 1.00 0.00 N ATOM 2342 CA ALA D 30 -20.084 -2.731 2.634 1.00 0.00 C ATOM 2343 C ALA D 30 -18.908 -3.652 2.911 1.00 0.00 C ATOM 2344 O ALA D 30 -18.894 -4.383 3.902 1.00 0.00 O ATOM 2345 CB ALA D 30 -20.138 -1.608 3.661 1.00 0.00 C ATOM 0 HA ALA D 30 -19.945 -2.293 1.646 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -19.196 -1.060 3.650 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.955 -0.930 3.416 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -20.301 -2.030 4.653 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.930 -3.618 2.024 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.715 -4.394 2.189 1.00 0.00 C ATOM 2353 C ILE D 31 -15.503 -3.486 2.039 1.00 0.00 C ATOM 2354 O ILE D 31 -15.240 -2.954 0.959 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.624 -5.544 1.161 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.839 -6.468 1.285 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.331 -6.331 1.351 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.857 -7.599 0.277 1.00 0.00 C ATOM 0 H ILE D 31 -17.955 -3.055 1.174 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.735 -4.834 3.186 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.619 -5.113 0.160 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.861 -6.890 2.290 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.747 -5.876 1.168 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.284 -7.137 0.618 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.477 -5.667 1.215 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.306 -6.753 2.356 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.748 -8.208 0.430 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.868 -7.187 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -16.968 -8.217 0.407 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.780 -3.295 3.125 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.604 -2.444 3.114 1.00 0.00 C ATOM 2372 C ILE D 32 -12.377 -3.265 3.491 1.00 0.00 C ATOM 2373 O ILE D 32 -12.404 -4.024 4.456 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.791 -1.224 4.064 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -12.597 -0.246 4.001 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -14.042 -1.682 5.496 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -11.413 -0.620 4.877 1.00 0.00 C ATOM 0 H ILE D 32 -14.986 -3.719 4.030 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.459 -2.047 2.109 1.00 0.00 H new ATOM 0 HB ILE D 32 -14.669 -0.681 3.716 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -12.258 -0.177 2.968 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -12.944 0.746 4.289 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -14.169 -0.811 6.139 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.944 -2.293 5.530 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -13.193 -2.269 5.844 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -10.627 0.126 4.764 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -11.729 -0.659 5.919 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -11.032 -1.596 4.577 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.320 -3.138 2.706 1.00 0.00 N ATOM 2390 CA GLY D 33 -10.099 -3.861 2.987 1.00 0.00 C ATOM 2391 C GLY D 33 -8.872 -3.021 2.723 1.00 0.00 C ATOM 2392 O GLY D 33 -8.759 -2.396 1.672 1.00 0.00 O ATOM 0 H GLY D 33 -11.286 -2.545 1.877 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -10.100 -4.184 4.028 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -10.061 -4.761 2.374 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.958 -2.996 3.675 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.736 -2.222 3.539 1.00 0.00 C ATOM 2398 C LEU D 34 -5.534 -3.151 3.514 1.00 0.00 C ATOM 2399 O LEU D 34 -5.511 -4.170 4.206 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.605 -1.216 4.685 1.00 0.00 C ATOM 2401 CG LEU D 34 -7.734 -0.188 4.785 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -7.501 0.744 5.961 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -7.853 0.606 3.493 1.00 0.00 C ATOM 0 H LEU D 34 -8.039 -3.505 4.555 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.776 -1.669 2.601 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.552 -1.766 5.625 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.660 -0.684 4.573 1.00 0.00 H new ATOM 0 HG LEU D 34 -8.670 -0.722 4.947 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -8.313 1.469 6.017 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -7.467 0.164 6.883 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -6.555 1.269 5.827 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -8.661 1.331 3.585 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -6.916 1.129 3.300 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -8.067 -0.073 2.667 1.00 0.00 H new ATOM 2415 N MET D 35 -4.541 -2.801 2.715 1.00 0.00 N ATOM 2416 CA MET D 35 -3.363 -3.636 2.562 1.00 0.00 C ATOM 2417 C MET D 35 -2.094 -2.798 2.605 1.00 0.00 C ATOM 2418 O MET D 35 -2.039 -1.701 2.047 1.00 0.00 O ATOM 2419 CB MET D 35 -3.432 -4.424 1.250 1.00 0.00 C ATOM 2420 CG MET D 35 -3.531 -3.552 0.009 1.00 0.00 C ATOM 2421 SD MET D 35 -3.643 -4.512 -1.511 1.00 0.00 S ATOM 2422 CE MET D 35 -2.079 -5.385 -1.480 1.00 0.00 C ATOM 0 H MET D 35 -4.527 -1.944 2.162 1.00 0.00 H new ATOM 0 HA MET D 35 -3.337 -4.340 3.394 1.00 0.00 H new ATOM 0 HB2 MET D 35 -2.546 -5.054 1.169 1.00 0.00 H new ATOM 0 HB3 MET D 35 -4.294 -5.090 1.283 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.406 -2.908 0.092 1.00 0.00 H new ATOM 0 HG3 MET D 35 -2.659 -2.900 -0.042 1.00 0.00 H new ATOM 0 HE1 MET D 35 -1.844 -5.747 -2.481 1.00 0.00 H new ATOM 0 HE2 MET D 35 -1.292 -4.710 -1.145 1.00 0.00 H new ATOM 0 HE3 MET D 35 -2.148 -6.230 -0.795 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.084 -3.315 3.281 1.00 0.00 N ATOM 2433 CA VAL D 36 0.196 -2.636 3.386 1.00 0.00 C ATOM 2434 C VAL D 36 1.320 -3.660 3.503 1.00 0.00 C ATOM 2435 O VAL D 36 1.124 -4.747 4.054 1.00 0.00 O ATOM 2436 CB VAL D 36 0.219 -1.664 4.593 1.00 0.00 C ATOM 2437 CG1 VAL D 36 0.029 -2.408 5.906 1.00 0.00 C ATOM 2438 CG2 VAL D 36 1.504 -0.852 4.618 1.00 0.00 C ATOM 0 H VAL D 36 -1.126 -4.210 3.769 1.00 0.00 H new ATOM 0 HA VAL D 36 0.345 -2.045 2.482 1.00 0.00 H new ATOM 0 HB VAL D 36 -0.617 -0.974 4.473 1.00 0.00 H new ATOM 0 HG11 VAL D 36 0.050 -1.698 6.733 1.00 0.00 H new ATOM 0 HG12 VAL D 36 -0.931 -2.925 5.896 1.00 0.00 H new ATOM 0 HG13 VAL D 36 0.831 -3.135 6.032 1.00 0.00 H new ATOM 0 HG21 VAL D 36 1.492 -0.179 5.475 1.00 0.00 H new ATOM 0 HG22 VAL D 36 2.358 -1.525 4.696 1.00 0.00 H new ATOM 0 HG23 VAL D 36 1.584 -0.269 3.700 1.00 0.00 H new ATOM 2448 N GLY D 37 2.477 -3.334 2.955 1.00 0.00 N ATOM 2449 CA GLY D 37 3.605 -4.232 3.029 1.00 0.00 C ATOM 2450 C GLY D 37 4.904 -3.555 2.661 1.00 0.00 C ATOM 2451 O GLY D 37 4.916 -2.382 2.275 1.00 0.00 O ATOM 0 H GLY D 37 2.655 -2.461 2.459 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.681 -4.633 4.040 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.437 -5.078 2.362 1.00 0.00 H new ATOM 2455 N GLY D 38 5.994 -4.293 2.762 1.00 0.00 N ATOM 2456 CA GLY D 38 7.292 -3.738 2.459 1.00 0.00 C ATOM 2457 C GLY D 38 8.266 -4.791 1.978 1.00 0.00 C ATOM 2458 O GLY D 38 8.200 -5.949 2.399 1.00 0.00 O ATOM 0 H GLY D 38 6.003 -5.271 3.050 1.00 0.00 H new ATOM 0 HA2 GLY D 38 7.186 -2.967 1.695 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.694 -3.253 3.348 1.00 0.00 H new ATOM 2462 N VAL D 39 9.156 -4.390 1.086 1.00 0.00 N ATOM 2463 CA VAL D 39 10.169 -5.280 0.552 1.00 0.00 C ATOM 2464 C VAL D 39 11.557 -4.705 0.807 1.00 0.00 C ATOM 2465 O VAL D 39 11.818 -3.536 0.509 1.00 0.00 O ATOM 2466 CB VAL D 39 9.984 -5.488 -0.969 1.00 0.00 C ATOM 2467 CG1 VAL D 39 11.038 -6.437 -1.519 1.00 0.00 C ATOM 2468 CG2 VAL D 39 8.583 -5.995 -1.280 1.00 0.00 C ATOM 0 H VAL D 39 9.196 -3.441 0.714 1.00 0.00 H new ATOM 0 HA VAL D 39 10.065 -6.241 1.055 1.00 0.00 H new ATOM 0 HB VAL D 39 10.111 -4.523 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.887 -6.567 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.030 -6.022 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL D 39 10.954 -7.403 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL D 39 8.477 -6.134 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL D 39 8.420 -6.946 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL D 39 7.848 -5.269 -0.934 1.00 0.00 H new ATOM 2478 N VAL D 40 12.441 -5.523 1.358 1.00 0.00 N ATOM 2479 CA VAL D 40 13.815 -5.112 1.600 1.00 0.00 C ATOM 2480 C VAL D 40 14.791 -6.093 0.959 1.00 0.00 C ATOM 2481 O VAL D 40 14.827 -7.273 1.308 1.00 0.00 O ATOM 2482 CB VAL D 40 14.124 -4.967 3.111 1.00 0.00 C ATOM 2483 CG1 VAL D 40 13.429 -3.739 3.681 1.00 0.00 C ATOM 2484 CG2 VAL D 40 13.708 -6.212 3.882 1.00 0.00 C ATOM 0 H VAL D 40 12.230 -6.478 1.647 1.00 0.00 H new ATOM 0 HA VAL D 40 13.939 -4.131 1.142 1.00 0.00 H new ATOM 0 HB VAL D 40 15.202 -4.846 3.220 1.00 0.00 H new ATOM 0 HG11 VAL D 40 13.657 -3.652 4.743 1.00 0.00 H new ATOM 0 HG12 VAL D 40 13.780 -2.848 3.161 1.00 0.00 H new ATOM 0 HG13 VAL D 40 12.352 -3.836 3.548 1.00 0.00 H new ATOM 0 HG21 VAL D 40 13.938 -6.079 4.939 1.00 0.00 H new ATOM 0 HG22 VAL D 40 12.637 -6.374 3.761 1.00 0.00 H new ATOM 0 HG23 VAL D 40 14.251 -7.076 3.498 1.00 0.00 H new ATOM 2494 N ILE D 41 15.544 -5.609 -0.015 1.00 0.00 N ATOM 2495 CA ILE D 41 16.534 -6.430 -0.698 1.00 0.00 C ATOM 2496 C ILE D 41 17.935 -5.866 -0.484 1.00 0.00 C ATOM 2497 O ILE D 41 18.192 -4.699 -0.789 1.00 0.00 O ATOM 2498 CB ILE D 41 16.251 -6.512 -2.214 1.00 0.00 C ATOM 2499 CG1 ILE D 41 14.810 -6.963 -2.469 1.00 0.00 C ATOM 2500 CG2 ILE D 41 17.233 -7.460 -2.887 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.438 -7.012 -3.937 1.00 0.00 C ATOM 0 H ILE D 41 15.489 -4.648 -0.353 1.00 0.00 H new ATOM 0 HA ILE D 41 16.471 -7.432 -0.274 1.00 0.00 H new ATOM 0 HB ILE D 41 16.380 -5.518 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.666 -7.952 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE D 41 14.130 -6.285 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE D 41 17.020 -7.507 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE D 41 18.250 -7.098 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE D 41 17.133 -8.455 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.403 -7.340 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.549 -6.020 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE D 41 15.093 -7.712 -4.455 1.00 0.00 H new ATOM 2513 N ALA D 42 18.823 -6.686 0.054 1.00 0.00 N ATOM 2514 CA ALA D 42 20.213 -6.301 0.252 1.00 0.00 C ATOM 2515 C ALA D 42 21.083 -7.543 0.382 1.00 0.00 C ATOM 2516 O ALA D 42 21.124 -8.126 1.484 1.00 0.00 O ATOM 2517 CB ALA D 42 20.358 -5.415 1.480 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.699 -7.940 -0.624 1.00 0.00 O ATOM 0 H ALA D 42 18.604 -7.632 0.365 1.00 0.00 H new ATOM 0 HA ALA D 42 20.543 -5.730 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA D 42 21.405 -5.140 1.608 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.759 -4.514 1.351 1.00 0.00 H new ATOM 0 HB3 ALA D 42 20.014 -5.956 2.362 1.00 0.00 H new