USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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 98 THR OG1 : rot -169:sc= 0.376 USER MOD Set 1.2: A 125 THR OG1 : rot -173:sc= 0.573 USER MOD Single : A 52 THR OG1 : rot 29:sc= 0.879 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.003 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 159:sc= -0.0677 (180deg=-1.08) USER MOD Single : A 86 THR OG1 : rot -28:sc= 0.896 USER MOD Single : A 91 TYR OH : rot 173:sc= 0.795 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -150:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= 0.613 (180deg=0.417) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 124 MET CE :methyl 141:sc= -0.112 (180deg=-0.881) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -8.993 8.184 9.389 1.00 0.00 N ATOM 147 CA THR A 52 -7.971 7.206 9.027 1.00 0.00 C ATOM 148 C THR A 52 -8.658 5.861 8.764 1.00 0.00 C ATOM 149 O THR A 52 -9.372 5.337 9.631 1.00 0.00 O ATOM 150 CB THR A 52 -6.903 7.062 10.162 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.471 8.372 10.574 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.678 6.240 9.701 1.00 0.00 C ATOM 0 HA THR A 52 -7.450 7.541 8.130 1.00 0.00 H new ATOM 0 HB THR A 52 -7.366 6.531 10.994 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.197 9.015 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.962 6.165 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.000 5.241 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.207 6.734 8.851 1.00 0.00 H new ATOM 160 N VAL A 53 -8.479 5.337 7.550 1.00 0.00 N ATOM 161 CA VAL A 53 -9.041 4.047 7.132 1.00 0.00 C ATOM 162 C VAL A 53 -7.909 3.012 7.110 1.00 0.00 C ATOM 163 O VAL A 53 -6.765 3.351 6.802 1.00 0.00 O ATOM 164 CB VAL A 53 -9.727 4.139 5.720 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.484 2.833 5.359 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.658 5.363 5.645 1.00 0.00 C ATOM 0 H VAL A 53 -7.935 5.799 6.821 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.814 3.750 7.841 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.938 4.265 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.943 2.939 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.783 1.998 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.258 2.644 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.122 5.407 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.432 5.278 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.080 6.271 5.815 1.00 0.00 H new ATOM 176 N ARG A 54 -8.247 1.770 7.445 1.00 0.00 N ATOM 177 CA ARG A 54 -7.304 0.656 7.527 1.00 0.00 C ATOM 178 C ARG A 54 -7.780 -0.473 6.600 1.00 0.00 C ATOM 179 O ARG A 54 -8.847 -1.056 6.821 1.00 0.00 O ATOM 180 CB ARG A 54 -7.211 0.182 8.996 1.00 0.00 C ATOM 181 CG ARG A 54 -6.308 -1.039 9.236 1.00 0.00 C ATOM 182 CD ARG A 54 -6.004 -1.253 10.728 1.00 0.00 C ATOM 183 NE ARG A 54 -5.266 -0.113 11.291 1.00 0.00 N ATOM 184 CZ ARG A 54 -5.021 0.099 12.583 1.00 0.00 C ATOM 185 NH1 ARG A 54 -5.448 -0.750 13.517 1.00 0.00 N ATOM 186 NH2 ARG A 54 -4.323 1.157 12.938 1.00 0.00 N ATOM 0 H ARG A 54 -9.205 1.503 7.672 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.310 0.966 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.846 1.009 9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.215 -0.054 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.790 -1.930 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.373 -0.910 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.936 -1.391 11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.421 -2.165 10.856 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.909 0.579 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.974 -1.582 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.249 -0.568 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.977 1.802 12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.128 1.332 13.924 1.00 0.00 H new ATOM 200 N LEU A 55 -7.000 -0.757 5.550 1.00 0.00 N ATOM 201 CA LEU A 55 -7.296 -1.821 4.578 1.00 0.00 C ATOM 202 C LEU A 55 -6.193 -2.888 4.727 1.00 0.00 C ATOM 203 O LEU A 55 -4.996 -2.567 4.690 1.00 0.00 O ATOM 204 CB LEU A 55 -7.365 -1.211 3.132 1.00 0.00 C ATOM 205 CG LEU A 55 -8.239 -1.949 2.052 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.314 -1.110 0.757 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.737 -3.380 1.740 1.00 0.00 C ATOM 0 H LEU A 55 -6.138 -0.251 5.348 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.265 -2.287 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.737 -0.190 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.347 -1.148 2.749 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.237 -2.055 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.922 -1.633 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.763 -0.142 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.309 -0.962 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.381 -3.836 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.716 -3.333 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.760 -3.980 2.650 1.00 0.00 H new ATOM 219 N PHE A 56 -6.610 -4.145 4.940 1.00 0.00 N ATOM 220 CA PHE A 56 -5.702 -5.295 5.081 1.00 0.00 C ATOM 221 C PHE A 56 -5.622 -6.015 3.728 1.00 0.00 C ATOM 222 O PHE A 56 -6.660 -6.252 3.086 1.00 0.00 O ATOM 223 CB PHE A 56 -6.233 -6.284 6.153 1.00 0.00 C ATOM 224 CG PHE A 56 -6.503 -5.670 7.523 1.00 0.00 C ATOM 225 CD1 PHE A 56 -5.479 -5.519 8.451 1.00 0.00 C ATOM 226 CD2 PHE A 56 -7.790 -5.262 7.885 1.00 0.00 C ATOM 227 CE1 PHE A 56 -5.728 -4.982 9.696 1.00 0.00 C ATOM 228 CE2 PHE A 56 -8.035 -4.722 9.132 1.00 0.00 C ATOM 229 CZ PHE A 56 -7.003 -4.584 10.036 1.00 0.00 C ATOM 0 H PHE A 56 -7.596 -4.395 5.020 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.719 -4.942 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.156 -6.733 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.510 -7.091 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.476 -5.826 8.193 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.602 -5.370 7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.922 -4.873 10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.033 -4.408 9.399 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.194 -4.163 11.012 1.00 0.00 H new ATOM 239 N GLY A 57 -4.414 -6.384 3.316 1.00 0.00 N ATOM 240 CA GLY A 57 -4.206 -7.066 2.052 1.00 0.00 C ATOM 241 C GLY A 57 -2.796 -7.575 1.910 1.00 0.00 C ATOM 242 O GLY A 57 -1.999 -7.491 2.852 1.00 0.00 O ATOM 0 H GLY A 57 -3.559 -6.218 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.902 -7.901 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.430 -6.384 1.231 1.00 0.00 H new ATOM 246 N THR A 58 -2.488 -8.105 0.733 1.00 0.00 N ATOM 247 CA THR A 58 -1.163 -8.619 0.383 1.00 0.00 C ATOM 248 C THR A 58 -0.668 -7.905 -0.888 1.00 0.00 C ATOM 249 O THR A 58 -1.459 -7.631 -1.797 1.00 0.00 O ATOM 250 CB THR A 58 -1.242 -10.162 0.167 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.855 -10.769 1.323 1.00 0.00 O ATOM 252 CG2 THR A 58 0.132 -10.808 -0.059 1.00 0.00 C ATOM 0 H THR A 58 -3.166 -8.193 -0.024 1.00 0.00 H new ATOM 0 HA THR A 58 -0.457 -8.425 1.190 1.00 0.00 H new ATOM 0 HB THR A 58 -1.833 -10.329 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.909 -11.739 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.010 -11.882 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.597 -10.374 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.766 -10.628 0.809 1.00 0.00 H new ATOM 260 N VAL A 59 0.635 -7.584 -0.926 1.00 0.00 N ATOM 261 CA VAL A 59 1.256 -6.836 -2.030 1.00 0.00 C ATOM 262 C VAL A 59 1.380 -7.736 -3.270 1.00 0.00 C ATOM 263 O VAL A 59 1.977 -8.815 -3.198 1.00 0.00 O ATOM 264 CB VAL A 59 2.679 -6.290 -1.630 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.304 -5.424 -2.755 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.613 -5.518 -0.295 1.00 0.00 C ATOM 0 H VAL A 59 1.291 -7.838 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 59 0.615 -5.983 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 59 3.335 -7.150 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.284 -5.068 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.411 -6.024 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.657 -4.571 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.606 -5.150 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.929 -4.676 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.257 -6.183 0.492 1.00 0.00 H new ATOM 276 N ALA A 60 0.794 -7.287 -4.390 1.00 0.00 N ATOM 277 CA ALA A 60 0.851 -8.009 -5.671 1.00 0.00 C ATOM 278 C ALA A 60 2.231 -7.854 -6.339 1.00 0.00 C ATOM 279 O ALA A 60 2.903 -6.826 -6.183 1.00 0.00 O ATOM 280 CB ALA A 60 -0.258 -7.504 -6.619 1.00 0.00 C ATOM 0 H ALA A 60 0.268 -6.414 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 60 0.691 -9.068 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.205 -8.046 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.233 -7.670 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.121 -6.439 -6.804 1.00 0.00 H new ATOM 286 N ALA A 61 2.631 -8.891 -7.100 1.00 0.00 N ATOM 287 CA ALA A 61 3.777 -8.833 -8.035 1.00 0.00 C ATOM 288 C ALA A 61 3.323 -8.318 -9.418 1.00 0.00 C ATOM 289 O ALA A 61 3.947 -8.606 -10.446 1.00 0.00 O ATOM 290 CB ALA A 61 4.429 -10.224 -8.137 1.00 0.00 C ATOM 0 H ALA A 61 2.167 -9.799 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 61 4.520 -8.132 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.273 -10.181 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.779 -10.535 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.697 -10.943 -8.505 1.00 0.00 H new ATOM 296 N ASP A 62 2.253 -7.516 -9.410 1.00 0.00 N ATOM 297 CA ASP A 62 1.666 -6.903 -10.595 1.00 0.00 C ATOM 298 C ASP A 62 1.184 -5.500 -10.209 1.00 0.00 C ATOM 299 O ASP A 62 0.529 -5.332 -9.183 1.00 0.00 O ATOM 300 CB ASP A 62 0.491 -7.774 -11.127 1.00 0.00 C ATOM 301 CG ASP A 62 -0.205 -7.161 -12.353 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.398 -7.157 -13.445 1.00 0.00 O ATOM 303 OD2 ASP A 62 -1.350 -6.675 -12.232 1.00 0.00 O ATOM 0 H ASP A 62 1.761 -7.271 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 62 2.403 -6.831 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.868 -8.763 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.241 -7.911 -10.331 1.00 0.00 H new ATOM 308 N GLY A 63 1.603 -4.497 -10.989 1.00 0.00 N ATOM 309 CA GLY A 63 1.193 -3.101 -10.773 1.00 0.00 C ATOM 310 C GLY A 63 2.018 -2.376 -9.710 1.00 0.00 C ATOM 311 O GLY A 63 1.699 -1.241 -9.354 1.00 0.00 O ATOM 0 H GLY A 63 2.231 -4.626 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.273 -2.558 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.143 -3.081 -10.482 1.00 0.00 H new ATOM 315 N LEU A 64 3.081 -3.038 -9.218 1.00 0.00 N ATOM 316 CA LEU A 64 3.994 -2.477 -8.209 1.00 0.00 C ATOM 317 C LEU A 64 4.916 -1.451 -8.914 1.00 0.00 C ATOM 318 O LEU A 64 5.991 -1.788 -9.408 1.00 0.00 O ATOM 319 CB LEU A 64 4.782 -3.636 -7.501 1.00 0.00 C ATOM 320 CG LEU A 64 5.370 -3.354 -6.067 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.856 -4.669 -5.403 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.513 -2.308 -6.085 1.00 0.00 C ATOM 0 H LEU A 64 3.331 -3.982 -9.512 1.00 0.00 H new ATOM 0 HA LEU A 64 3.450 -1.955 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.117 -4.497 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.608 -3.926 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 64 4.558 -2.932 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.258 -4.450 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.019 -5.360 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.633 -5.122 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.880 -2.153 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.327 -2.669 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.137 -1.365 -6.483 1.00 0.00 H new ATOM 334 N THR A 65 4.404 -0.221 -9.018 1.00 0.00 N ATOM 335 CA THR A 65 5.049 0.914 -9.700 1.00 0.00 C ATOM 336 C THR A 65 5.560 1.929 -8.658 1.00 0.00 C ATOM 337 O THR A 65 4.767 2.596 -8.012 1.00 0.00 O ATOM 338 CB THR A 65 4.012 1.602 -10.657 1.00 0.00 C ATOM 339 OG1 THR A 65 3.377 0.607 -11.473 1.00 0.00 O ATOM 340 CG2 THR A 65 4.655 2.666 -11.565 1.00 0.00 C ATOM 0 H THR A 65 3.499 0.024 -8.617 1.00 0.00 H new ATOM 0 HA THR A 65 5.896 0.554 -10.284 1.00 0.00 H new ATOM 0 HB THR A 65 3.281 2.108 -10.026 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.729 1.037 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.891 3.108 -12.205 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.108 3.444 -10.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.422 2.201 -12.184 1.00 0.00 H new ATOM 348 N MET A 66 6.883 2.072 -8.522 1.00 0.00 N ATOM 349 CA MET A 66 7.483 2.937 -7.480 1.00 0.00 C ATOM 350 C MET A 66 7.708 4.348 -8.041 1.00 0.00 C ATOM 351 O MET A 66 8.002 4.499 -9.234 1.00 0.00 O ATOM 352 CB MET A 66 8.806 2.327 -6.964 1.00 0.00 C ATOM 353 CG MET A 66 8.660 0.914 -6.384 1.00 0.00 C ATOM 354 SD MET A 66 10.144 0.344 -5.536 1.00 0.00 S ATOM 355 CE MET A 66 10.188 1.434 -4.118 1.00 0.00 C ATOM 0 H MET A 66 7.566 1.603 -9.117 1.00 0.00 H new ATOM 0 HA MET A 66 6.797 3.005 -6.636 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.525 2.299 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.221 2.982 -6.198 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.822 0.898 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.419 0.220 -7.189 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.797 0.985 -3.333 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.619 2.392 -4.409 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.175 1.590 -3.747 1.00 0.00 H new ATOM 365 N LEU A 67 7.573 5.374 -7.183 1.00 0.00 N ATOM 366 CA LEU A 67 7.590 6.784 -7.616 1.00 0.00 C ATOM 367 C LEU A 67 9.007 7.233 -8.045 1.00 0.00 C ATOM 368 O LEU A 67 9.978 7.057 -7.299 1.00 0.00 O ATOM 369 CB LEU A 67 7.033 7.704 -6.491 1.00 0.00 C ATOM 370 CG LEU A 67 5.592 7.374 -5.975 1.00 0.00 C ATOM 371 CD1 LEU A 67 5.103 8.429 -4.950 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.595 7.203 -7.144 1.00 0.00 C ATOM 0 H LEU A 67 7.450 5.252 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 67 6.944 6.872 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.718 7.662 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.039 8.731 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 67 5.641 6.417 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.100 8.170 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.780 8.448 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.085 9.412 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.606 6.975 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.550 8.126 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.925 6.387 -7.787 1.00 0.00 H new ATOM 384 N ASP A 68 9.098 7.803 -9.264 1.00 0.00 N ATOM 385 CA ASP A 68 10.361 8.276 -9.865 1.00 0.00 C ATOM 386 C ASP A 68 10.797 9.592 -9.218 1.00 0.00 C ATOM 387 O ASP A 68 10.069 10.579 -9.284 1.00 0.00 O ATOM 388 CB ASP A 68 10.198 8.469 -11.398 1.00 0.00 C ATOM 389 CG ASP A 68 10.135 7.146 -12.176 1.00 0.00 C ATOM 390 OD1 ASP A 68 11.210 6.617 -12.542 1.00 0.00 O ATOM 391 OD2 ASP A 68 9.021 6.628 -12.423 1.00 0.00 O ATOM 0 H ASP A 68 8.287 7.949 -9.865 1.00 0.00 H new ATOM 0 HA ASP A 68 11.128 7.522 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.289 9.039 -11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.032 9.063 -11.773 1.00 0.00 H new ATOM 396 N GLY A 69 11.976 9.574 -8.579 1.00 0.00 N ATOM 397 CA GLY A 69 12.562 10.757 -7.939 1.00 0.00 C ATOM 398 C GLY A 69 11.772 11.270 -6.734 1.00 0.00 C ATOM 399 O GLY A 69 11.959 12.413 -6.308 1.00 0.00 O ATOM 0 H GLY A 69 12.550 8.735 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.577 10.519 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.638 11.556 -8.677 1.00 0.00 H new ATOM 403 N ALA A 70 10.905 10.406 -6.170 1.00 0.00 N ATOM 404 CA ALA A 70 10.010 10.761 -5.056 1.00 0.00 C ATOM 405 C ALA A 70 9.827 9.544 -4.129 1.00 0.00 C ATOM 406 O ALA A 70 9.669 8.426 -4.622 1.00 0.00 O ATOM 407 CB ALA A 70 8.658 11.252 -5.601 1.00 0.00 C ATOM 0 H ALA A 70 10.807 9.438 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 70 10.454 11.571 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.003 11.512 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.815 12.130 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.196 10.462 -6.193 1.00 0.00 H new ATOM 413 N PRO A 71 9.874 9.729 -2.771 1.00 0.00 N ATOM 414 CA PRO A 71 9.645 8.629 -1.815 1.00 0.00 C ATOM 415 C PRO A 71 8.180 8.144 -1.867 1.00 0.00 C ATOM 416 O PRO A 71 7.248 8.914 -1.590 1.00 0.00 O ATOM 417 CB PRO A 71 10.009 9.255 -0.440 1.00 0.00 C ATOM 418 CG PRO A 71 9.802 10.726 -0.624 1.00 0.00 C ATOM 419 CD PRO A 71 10.152 11.013 -2.069 1.00 0.00 C ATOM 0 HA PRO A 71 10.240 7.742 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.374 8.862 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.040 9.032 -0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.771 11.006 -0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.436 11.298 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.548 11.826 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.196 11.308 -2.176 1.00 0.00 H new ATOM 427 N GLY A 72 7.990 6.881 -2.278 1.00 0.00 N ATOM 428 CA GLY A 72 6.673 6.241 -2.266 1.00 0.00 C ATOM 429 C GLY A 72 6.544 5.135 -3.304 1.00 0.00 C ATOM 430 O GLY A 72 7.508 4.815 -4.015 1.00 0.00 O ATOM 0 H GLY A 72 8.740 6.282 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.485 5.827 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.907 6.994 -2.448 1.00 0.00 H new ATOM 434 N VAL A 73 5.331 4.577 -3.403 1.00 0.00 N ATOM 435 CA VAL A 73 5.001 3.484 -4.321 1.00 0.00 C ATOM 436 C VAL A 73 3.480 3.458 -4.604 1.00 0.00 C ATOM 437 O VAL A 73 2.660 3.554 -3.688 1.00 0.00 O ATOM 438 CB VAL A 73 5.486 2.087 -3.764 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.931 1.806 -2.341 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.149 0.932 -4.746 1.00 0.00 C ATOM 0 H VAL A 73 4.538 4.879 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 73 5.531 3.666 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 73 6.572 2.137 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.289 0.836 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.273 2.583 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.841 1.802 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.497 -0.013 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.071 0.886 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.642 1.111 -5.701 1.00 0.00 H new ATOM 450 N ARG A 74 3.141 3.391 -5.893 1.00 0.00 N ATOM 451 CA ARG A 74 1.797 3.052 -6.379 1.00 0.00 C ATOM 452 C ARG A 74 1.755 1.525 -6.611 1.00 0.00 C ATOM 453 O ARG A 74 2.667 0.984 -7.215 1.00 0.00 O ATOM 454 CB ARG A 74 1.522 3.796 -7.719 1.00 0.00 C ATOM 455 CG ARG A 74 0.088 3.625 -8.277 1.00 0.00 C ATOM 456 CD ARG A 74 -0.946 4.494 -7.536 1.00 0.00 C ATOM 457 NE ARG A 74 -0.696 5.934 -7.761 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.631 6.893 -7.789 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.902 6.621 -7.559 1.00 0.00 N ATOM 460 NH2 ARG A 74 -1.279 8.142 -8.037 1.00 0.00 N ATOM 0 H ARG A 74 3.805 3.574 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 74 1.039 3.350 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.715 4.859 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.232 3.442 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.081 3.883 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.204 2.577 -8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.950 4.239 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.907 4.278 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 74 0.272 6.222 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.190 5.664 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.596 7.368 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.300 8.372 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.987 8.876 -8.060 1.00 0.00 H new ATOM 474 N PHE A 75 0.728 0.835 -6.119 1.00 0.00 N ATOM 475 CA PHE A 75 0.612 -0.638 -6.271 1.00 0.00 C ATOM 476 C PHE A 75 -0.843 -1.054 -6.118 1.00 0.00 C ATOM 477 O PHE A 75 -1.640 -0.294 -5.585 1.00 0.00 O ATOM 478 CB PHE A 75 1.516 -1.387 -5.242 1.00 0.00 C ATOM 479 CG PHE A 75 1.173 -1.136 -3.763 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.534 0.059 -3.132 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.498 -2.101 -3.002 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.230 0.284 -1.802 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.194 -1.871 -1.670 1.00 0.00 C ATOM 484 CZ PHE A 75 0.561 -0.684 -1.069 1.00 0.00 C ATOM 0 H PHE A 75 -0.045 1.262 -5.608 1.00 0.00 H new ATOM 0 HA PHE A 75 0.958 -0.913 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.451 -2.457 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.552 -1.095 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.059 0.818 -3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.211 -3.036 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.514 1.215 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.332 -2.623 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.327 -0.510 -0.029 1.00 0.00 H new ATOM 494 N ARG A 76 -1.192 -2.273 -6.555 1.00 0.00 N ATOM 495 CA ARG A 76 -2.551 -2.799 -6.371 1.00 0.00 C ATOM 496 C ARG A 76 -2.508 -3.806 -5.214 1.00 0.00 C ATOM 497 O ARG A 76 -1.922 -4.893 -5.318 1.00 0.00 O ATOM 498 CB ARG A 76 -3.142 -3.395 -7.690 1.00 0.00 C ATOM 499 CG ARG A 76 -2.346 -4.548 -8.327 1.00 0.00 C ATOM 500 CD ARG A 76 -2.910 -5.002 -9.689 1.00 0.00 C ATOM 501 NE ARG A 76 -4.283 -5.542 -9.595 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.827 -6.427 -10.449 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.114 -6.933 -11.450 1.00 0.00 N ATOM 504 NH2 ARG A 76 -6.086 -6.807 -10.288 1.00 0.00 N ATOM 0 H ARG A 76 -0.556 -2.909 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.236 -1.990 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.153 -3.748 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.228 -2.592 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.310 -4.236 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.340 -5.397 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.904 -4.157 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.254 -5.763 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.863 -5.218 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.142 -6.651 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.539 -7.603 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.639 -6.428 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.503 -7.478 -10.933 1.00 0.00 H new ATOM 518 N LEU A 77 -3.057 -3.384 -4.071 1.00 0.00 N ATOM 519 CA LEU A 77 -3.143 -4.214 -2.879 1.00 0.00 C ATOM 520 C LEU A 77 -4.237 -5.264 -3.088 1.00 0.00 C ATOM 521 O LEU A 77 -5.419 -4.913 -3.262 1.00 0.00 O ATOM 522 CB LEU A 77 -3.450 -3.357 -1.623 1.00 0.00 C ATOM 523 CG LEU A 77 -3.372 -4.123 -0.265 1.00 0.00 C ATOM 524 CD1 LEU A 77 -1.942 -4.632 -0.012 1.00 0.00 C ATOM 525 CD2 LEU A 77 -3.879 -3.263 0.914 1.00 0.00 C ATOM 0 H LEU A 77 -3.454 -2.452 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.184 -4.705 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.751 -2.522 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.449 -2.933 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.035 -4.985 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.908 -5.163 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.649 -5.307 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.255 -3.786 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.807 -3.835 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.270 -2.363 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.918 -2.984 0.740 1.00 0.00 H new ATOM 537 N GLU A 78 -3.827 -6.538 -3.111 1.00 0.00 N ATOM 538 CA GLU A 78 -4.752 -7.660 -3.219 1.00 0.00 C ATOM 539 C GLU A 78 -5.484 -7.826 -1.883 1.00 0.00 C ATOM 540 O GLU A 78 -4.917 -8.355 -0.923 1.00 0.00 O ATOM 541 CB GLU A 78 -4.004 -8.961 -3.616 1.00 0.00 C ATOM 542 CG GLU A 78 -3.251 -8.871 -4.957 1.00 0.00 C ATOM 543 CD GLU A 78 -2.599 -10.202 -5.390 1.00 0.00 C ATOM 544 OE1 GLU A 78 -1.622 -10.642 -4.742 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.053 -10.819 -6.381 1.00 0.00 O ATOM 0 H GLU A 78 -2.847 -6.814 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.479 -7.458 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.293 -9.213 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.723 -9.778 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.945 -8.547 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.479 -8.106 -4.880 1.00 0.00 H new ATOM 552 N ASP A 79 -6.723 -7.294 -1.835 1.00 0.00 N ATOM 553 CA ASP A 79 -7.642 -7.428 -0.690 1.00 0.00 C ATOM 554 C ASP A 79 -7.792 -8.917 -0.353 1.00 0.00 C ATOM 555 O ASP A 79 -8.476 -9.641 -1.056 1.00 0.00 O ATOM 556 CB ASP A 79 -9.009 -6.775 -1.066 1.00 0.00 C ATOM 557 CG ASP A 79 -10.171 -7.104 -0.110 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.334 -6.407 0.911 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.944 -8.055 -0.388 1.00 0.00 O ATOM 0 H ASP A 79 -7.117 -6.751 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.255 -6.918 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.881 -5.693 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.283 -7.095 -2.071 1.00 0.00 H new ATOM 659 N THR A 86 -9.128 -5.956 -6.201 1.00 0.00 N ATOM 660 CA THR A 86 -7.882 -5.335 -5.717 1.00 0.00 C ATOM 661 C THR A 86 -8.036 -3.809 -5.788 1.00 0.00 C ATOM 662 O THR A 86 -8.616 -3.293 -6.749 1.00 0.00 O ATOM 663 CB THR A 86 -6.644 -5.786 -6.575 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.778 -5.331 -7.933 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.482 -7.318 -6.590 1.00 0.00 C ATOM 0 HA THR A 86 -7.705 -5.654 -4.690 1.00 0.00 H new ATOM 0 HB THR A 86 -5.763 -5.342 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.728 -5.256 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.615 -7.586 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.340 -7.679 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.376 -7.774 -7.015 1.00 0.00 H new ATOM 673 N VAL A 87 -7.549 -3.099 -4.768 1.00 0.00 N ATOM 674 CA VAL A 87 -7.556 -1.618 -4.741 1.00 0.00 C ATOM 675 C VAL A 87 -6.135 -1.118 -5.003 1.00 0.00 C ATOM 676 O VAL A 87 -5.185 -1.667 -4.448 1.00 0.00 O ATOM 677 CB VAL A 87 -8.073 -1.048 -3.359 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.111 0.510 -3.336 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.461 -1.635 -3.011 1.00 0.00 C ATOM 0 H VAL A 87 -7.138 -3.524 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.241 -1.266 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.358 -1.360 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.473 0.851 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.108 0.901 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.779 0.869 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.798 -1.230 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.175 -1.369 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.390 -2.720 -2.940 1.00 0.00 H new ATOM 689 N TRP A 88 -5.993 -0.070 -5.827 1.00 0.00 N ATOM 690 CA TRP A 88 -4.704 0.594 -6.058 1.00 0.00 C ATOM 691 C TRP A 88 -4.445 1.535 -4.881 1.00 0.00 C ATOM 692 O TRP A 88 -5.378 2.096 -4.333 1.00 0.00 O ATOM 693 CB TRP A 88 -4.701 1.373 -7.392 1.00 0.00 C ATOM 694 CG TRP A 88 -4.630 0.489 -8.613 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.654 -0.180 -9.221 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.448 0.174 -9.362 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.183 -0.863 -10.314 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.834 -0.670 -10.417 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.101 0.531 -9.241 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -2.924 -1.165 -11.342 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.197 0.047 -10.163 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.615 -0.798 -11.205 1.00 0.00 C ATOM 0 H TRP A 88 -6.767 0.340 -6.350 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.913 -0.153 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.603 1.983 -7.448 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.853 2.057 -7.401 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.682 -0.173 -8.890 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.750 -1.425 -10.949 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.774 1.175 -8.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.240 -1.818 -12.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.155 0.321 -10.083 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.886 -1.165 -11.912 1.00 0.00 H new ATOM 713 N VAL A 89 -3.186 1.702 -4.494 1.00 0.00 N ATOM 714 CA VAL A 89 -2.805 2.401 -3.266 1.00 0.00 C ATOM 715 C VAL A 89 -1.655 3.350 -3.589 1.00 0.00 C ATOM 716 O VAL A 89 -0.604 2.906 -4.071 1.00 0.00 O ATOM 717 CB VAL A 89 -2.371 1.397 -2.127 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.036 2.148 -0.818 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.444 0.304 -1.890 1.00 0.00 C ATOM 0 H VAL A 89 -2.390 1.353 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.669 2.953 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.464 0.894 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.741 1.431 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.217 2.845 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.914 2.699 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.110 -0.368 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.383 0.773 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.595 -0.263 -2.809 1.00 0.00 H new ATOM 729 N LEU A 90 -1.879 4.651 -3.368 1.00 0.00 N ATOM 730 CA LEU A 90 -0.837 5.670 -3.501 1.00 0.00 C ATOM 731 C LEU A 90 -0.220 5.926 -2.122 1.00 0.00 C ATOM 732 O LEU A 90 -0.756 6.696 -1.318 1.00 0.00 O ATOM 733 CB LEU A 90 -1.397 6.991 -4.099 1.00 0.00 C ATOM 734 CG LEU A 90 -0.354 8.155 -4.236 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.888 7.728 -5.065 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.013 9.427 -4.813 1.00 0.00 C ATOM 0 H LEU A 90 -2.787 5.024 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.075 5.305 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.812 6.778 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.221 7.334 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 90 0.003 8.391 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.584 8.564 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.379 6.886 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.573 7.433 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.267 10.217 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.423 9.209 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.815 9.754 -4.151 1.00 0.00 H new ATOM 748 N TYR A 91 0.875 5.223 -1.849 1.00 0.00 N ATOM 749 CA TYR A 91 1.711 5.471 -0.672 1.00 0.00 C ATOM 750 C TYR A 91 2.783 6.508 -1.039 1.00 0.00 C ATOM 751 O TYR A 91 3.475 6.339 -2.038 1.00 0.00 O ATOM 752 CB TYR A 91 2.371 4.151 -0.172 1.00 0.00 C ATOM 753 CG TYR A 91 3.403 4.361 0.949 1.00 0.00 C ATOM 754 CD1 TYR A 91 3.051 5.018 2.132 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.728 3.937 0.814 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.981 5.242 3.126 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.657 4.151 1.813 1.00 0.00 C ATOM 758 CZ TYR A 91 5.280 4.806 2.963 1.00 0.00 C ATOM 759 OH TYR A 91 6.210 5.026 3.960 1.00 0.00 O ATOM 0 H TYR A 91 1.211 4.462 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 91 1.092 5.855 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.591 3.478 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.857 3.657 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.034 5.356 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.032 3.431 -0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.693 5.758 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.673 3.806 1.692 1.00 0.00 H new ATOM 0 HH TYR A 91 7.045 4.565 3.736 1.00 0.00 H new ATOM 769 N LYS A 92 2.865 7.603 -0.277 1.00 0.00 N ATOM 770 CA LYS A 92 3.955 8.590 -0.386 1.00 0.00 C ATOM 771 C LYS A 92 4.756 8.617 0.932 1.00 0.00 C ATOM 772 O LYS A 92 4.236 9.039 1.971 1.00 0.00 O ATOM 773 CB LYS A 92 3.359 9.988 -0.710 1.00 0.00 C ATOM 774 CG LYS A 92 2.582 10.049 -2.054 1.00 0.00 C ATOM 775 CD LYS A 92 1.889 11.416 -2.289 1.00 0.00 C ATOM 776 CE LYS A 92 0.817 11.736 -1.226 1.00 0.00 C ATOM 777 NZ LYS A 92 0.247 13.095 -1.405 1.00 0.00 N ATOM 0 H LYS A 92 2.176 7.835 0.438 1.00 0.00 H new ATOM 0 HA LYS A 92 4.632 8.312 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.689 10.282 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.167 10.719 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.271 9.851 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.831 9.259 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.642 12.204 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.427 11.418 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.018 10.997 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.256 11.655 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.469 13.271 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.005 13.803 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.195 13.165 -2.344 1.00 0.00 H new ATOM 791 N GLY A 93 5.997 8.116 0.878 1.00 0.00 N ATOM 792 CA GLY A 93 6.898 8.076 2.038 1.00 0.00 C ATOM 793 C GLY A 93 7.987 7.019 1.878 1.00 0.00 C ATOM 794 O GLY A 93 8.085 6.385 0.821 1.00 0.00 O ATOM 0 H GLY A 93 6.405 7.727 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.359 9.054 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.321 7.869 2.939 1.00 0.00 H new ATOM 798 N ALA A 94 8.790 6.816 2.942 1.00 0.00 N ATOM 799 CA ALA A 94 9.922 5.868 2.943 1.00 0.00 C ATOM 800 C ALA A 94 9.446 4.409 2.793 1.00 0.00 C ATOM 801 O ALA A 94 8.819 3.852 3.704 1.00 0.00 O ATOM 802 CB ALA A 94 10.759 6.041 4.226 1.00 0.00 C ATOM 0 H ALA A 94 8.671 7.307 3.828 1.00 0.00 H new ATOM 0 HA ALA A 94 10.548 6.094 2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.591 5.337 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.146 7.059 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.133 5.850 5.097 1.00 0.00 H new ATOM 808 N VAL A 95 9.709 3.828 1.612 1.00 0.00 N ATOM 809 CA VAL A 95 9.373 2.429 1.305 1.00 0.00 C ATOM 810 C VAL A 95 10.462 1.489 1.882 1.00 0.00 C ATOM 811 O VAL A 95 11.629 1.589 1.466 1.00 0.00 O ATOM 812 CB VAL A 95 9.228 2.195 -0.247 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.824 0.732 -0.569 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.227 3.197 -0.862 1.00 0.00 C ATOM 0 H VAL A 95 10.162 4.317 0.840 1.00 0.00 H new ATOM 0 HA VAL A 95 8.412 2.204 1.767 1.00 0.00 H new ATOM 0 HB VAL A 95 10.204 2.369 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.734 0.609 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.586 0.052 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.868 0.506 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.143 3.016 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.250 3.069 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.580 4.214 -0.692 1.00 0.00 H new ATOM 824 N PRO A 96 10.106 0.565 2.842 1.00 0.00 N ATOM 825 CA PRO A 96 11.081 -0.380 3.443 1.00 0.00 C ATOM 826 C PRO A 96 11.416 -1.563 2.505 1.00 0.00 C ATOM 827 O PRO A 96 10.682 -1.833 1.545 1.00 0.00 O ATOM 828 CB PRO A 96 10.347 -0.859 4.722 1.00 0.00 C ATOM 829 CG PRO A 96 8.893 -0.814 4.357 1.00 0.00 C ATOM 830 CD PRO A 96 8.738 0.376 3.421 1.00 0.00 C ATOM 0 HA PRO A 96 12.048 0.083 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.655 -1.866 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.564 -0.211 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.583 -1.738 3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.270 -0.698 5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.000 0.178 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.406 1.265 3.958 1.00 0.00 H new ATOM 838 N ASP A 97 12.522 -2.271 2.820 1.00 0.00 N ATOM 839 CA ASP A 97 12.930 -3.515 2.110 1.00 0.00 C ATOM 840 C ASP A 97 11.891 -4.633 2.329 1.00 0.00 C ATOM 841 O ASP A 97 11.790 -5.575 1.535 1.00 0.00 O ATOM 842 CB ASP A 97 14.317 -4.018 2.598 1.00 0.00 C ATOM 843 CG ASP A 97 15.431 -2.964 2.491 1.00 0.00 C ATOM 844 OD1 ASP A 97 16.083 -2.871 1.434 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.648 -2.216 3.472 1.00 0.00 O ATOM 0 H ASP A 97 13.159 -2.002 3.570 1.00 0.00 H new ATOM 0 HA ASP A 97 12.993 -3.272 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.232 -4.339 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.601 -4.894 2.015 1.00 0.00 H new ATOM 850 N THR A 98 11.118 -4.488 3.415 1.00 0.00 N ATOM 851 CA THR A 98 10.104 -5.455 3.836 1.00 0.00 C ATOM 852 C THR A 98 8.782 -5.269 3.069 1.00 0.00 C ATOM 853 O THR A 98 7.902 -6.133 3.135 1.00 0.00 O ATOM 854 CB THR A 98 9.872 -5.351 5.370 1.00 0.00 C ATOM 855 OG1 THR A 98 9.703 -3.976 5.757 1.00 0.00 O ATOM 856 CG2 THR A 98 11.036 -5.969 6.146 1.00 0.00 C ATOM 0 H THR A 98 11.184 -3.680 4.034 1.00 0.00 H new ATOM 0 HA THR A 98 10.474 -6.453 3.600 1.00 0.00 H new ATOM 0 HB THR A 98 8.965 -5.906 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.732 -3.905 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.847 -5.882 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.133 -7.021 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.959 -5.445 5.897 1.00 0.00 H new ATOM 864 N PHE A 99 8.627 -4.126 2.367 1.00 0.00 N ATOM 865 CA PHE A 99 7.576 -3.965 1.357 1.00 0.00 C ATOM 866 C PHE A 99 8.005 -4.753 0.122 1.00 0.00 C ATOM 867 O PHE A 99 8.940 -4.359 -0.580 1.00 0.00 O ATOM 868 CB PHE A 99 7.334 -2.471 1.017 1.00 0.00 C ATOM 869 CG PHE A 99 6.294 -2.256 -0.085 1.00 0.00 C ATOM 870 CD1 PHE A 99 4.931 -2.306 0.201 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.680 -2.030 -1.408 1.00 0.00 C ATOM 872 CE1 PHE A 99 3.995 -2.139 -0.796 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.740 -1.859 -2.399 1.00 0.00 C ATOM 874 CZ PHE A 99 4.398 -1.914 -2.093 1.00 0.00 C ATOM 0 H PHE A 99 9.220 -3.305 2.486 1.00 0.00 H new ATOM 0 HA PHE A 99 6.628 -4.345 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.010 -1.950 1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.277 -2.019 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.605 -2.478 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.730 -1.989 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.942 -2.185 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.055 -1.682 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.661 -1.780 -2.871 1.00 0.00 H new ATOM 884 N LYS A 100 7.338 -5.882 -0.099 1.00 0.00 N ATOM 885 CA LYS A 100 7.726 -6.851 -1.126 1.00 0.00 C ATOM 886 C LYS A 100 6.491 -7.626 -1.628 1.00 0.00 C ATOM 887 O LYS A 100 5.523 -7.795 -0.880 1.00 0.00 O ATOM 888 CB LYS A 100 8.803 -7.806 -0.535 1.00 0.00 C ATOM 889 CG LYS A 100 8.396 -8.461 0.802 1.00 0.00 C ATOM 890 CD LYS A 100 9.538 -9.230 1.486 1.00 0.00 C ATOM 891 CE LYS A 100 9.141 -9.716 2.889 1.00 0.00 C ATOM 892 NZ LYS A 100 10.196 -10.562 3.487 1.00 0.00 N ATOM 0 H LYS A 100 6.509 -6.154 0.430 1.00 0.00 H new ATOM 0 HA LYS A 100 8.151 -6.334 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.017 -8.590 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.727 -7.248 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.033 -7.688 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.565 -9.144 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.819 -10.085 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.416 -8.588 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.953 -8.857 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.210 -10.280 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.897 -10.873 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.357 -11.394 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.077 -10.015 3.565 1.00 0.00 H new ATOM 906 N PRO A 101 6.488 -8.086 -2.914 1.00 0.00 N ATOM 907 CA PRO A 101 5.379 -8.891 -3.460 1.00 0.00 C ATOM 908 C PRO A 101 5.264 -10.252 -2.734 1.00 0.00 C ATOM 909 O PRO A 101 6.204 -11.053 -2.742 1.00 0.00 O ATOM 910 CB PRO A 101 5.753 -9.046 -4.958 1.00 0.00 C ATOM 911 CG PRO A 101 7.235 -8.855 -5.014 1.00 0.00 C ATOM 912 CD PRO A 101 7.547 -7.848 -3.935 1.00 0.00 C ATOM 0 HA PRO A 101 4.401 -8.429 -3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.468 -10.028 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.237 -8.307 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.760 -9.794 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.548 -8.492 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.544 -8.000 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.513 -6.828 -4.317 1.00 0.00 H new ATOM 920 N GLY A 102 4.123 -10.480 -2.071 1.00 0.00 N ATOM 921 CA GLY A 102 3.876 -11.715 -1.327 1.00 0.00 C ATOM 922 C GLY A 102 3.664 -11.481 0.164 1.00 0.00 C ATOM 923 O GLY A 102 3.141 -12.363 0.855 1.00 0.00 O ATOM 0 H GLY A 102 3.350 -9.815 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.998 -12.211 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.719 -12.391 -1.467 1.00 0.00 H new ATOM 927 N VAL A 103 4.069 -10.297 0.683 1.00 0.00 N ATOM 928 CA VAL A 103 3.896 -9.965 2.118 1.00 0.00 C ATOM 929 C VAL A 103 2.543 -9.269 2.345 1.00 0.00 C ATOM 930 O VAL A 103 2.065 -8.524 1.482 1.00 0.00 O ATOM 931 CB VAL A 103 5.062 -9.048 2.683 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.972 -7.578 2.192 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.126 -9.113 4.229 1.00 0.00 C ATOM 0 H VAL A 103 4.514 -9.561 0.135 1.00 0.00 H new ATOM 0 HA VAL A 103 3.929 -10.909 2.662 1.00 0.00 H new ATOM 0 HB VAL A 103 5.990 -9.452 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.797 -7.003 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.031 -7.554 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.025 -7.144 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.934 -8.475 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.180 -8.769 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.309 -10.141 4.543 1.00 0.00 H new ATOM 943 N GLU A 104 1.928 -9.540 3.502 1.00 0.00 N ATOM 944 CA GLU A 104 0.757 -8.804 3.966 1.00 0.00 C ATOM 945 C GLU A 104 1.205 -7.437 4.497 1.00 0.00 C ATOM 946 O GLU A 104 2.189 -7.347 5.246 1.00 0.00 O ATOM 947 CB GLU A 104 0.018 -9.603 5.071 1.00 0.00 C ATOM 948 CG GLU A 104 -0.619 -10.925 4.596 1.00 0.00 C ATOM 949 CD GLU A 104 -1.282 -11.700 5.745 1.00 0.00 C ATOM 950 OE1 GLU A 104 -2.369 -11.277 6.201 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.719 -12.715 6.212 1.00 0.00 O ATOM 0 H GLU A 104 2.232 -10.276 4.139 1.00 0.00 H new ATOM 0 HA GLU A 104 0.065 -8.660 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.722 -9.823 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.763 -8.972 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.363 -10.712 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.146 -11.549 4.134 1.00 0.00 H new ATOM 958 N VAL A 105 0.520 -6.379 4.058 1.00 0.00 N ATOM 959 CA VAL A 105 0.711 -5.024 4.593 1.00 0.00 C ATOM 960 C VAL A 105 -0.636 -4.462 5.068 1.00 0.00 C ATOM 961 O VAL A 105 -1.713 -4.831 4.568 1.00 0.00 O ATOM 962 CB VAL A 105 1.388 -4.028 3.572 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.793 -4.520 3.149 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.494 -3.762 2.338 1.00 0.00 C ATOM 0 H VAL A 105 -0.183 -6.435 3.322 1.00 0.00 H new ATOM 0 HA VAL A 105 1.402 -5.113 5.431 1.00 0.00 H new ATOM 0 HB VAL A 105 1.509 -3.077 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.230 -3.811 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.431 -4.599 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.708 -5.497 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.001 -3.072 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.302 -4.701 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.451 -3.326 2.661 1.00 0.00 H new ATOM 974 N ILE A 106 -0.541 -3.586 6.061 1.00 0.00 N ATOM 975 CA ILE A 106 -1.652 -2.822 6.597 1.00 0.00 C ATOM 976 C ILE A 106 -1.396 -1.363 6.201 1.00 0.00 C ATOM 977 O ILE A 106 -0.337 -0.810 6.531 1.00 0.00 O ATOM 978 CB ILE A 106 -1.734 -2.979 8.164 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.847 -4.488 8.561 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.904 -2.164 8.748 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.948 -4.751 10.060 1.00 0.00 C ATOM 0 H ILE A 106 0.343 -3.384 6.528 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.605 -3.174 6.201 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.813 -2.582 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.724 -4.913 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.977 -5.017 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.933 -2.293 9.830 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.766 -1.109 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.842 -2.512 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.022 -5.824 10.237 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.060 -4.362 10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.834 -4.255 10.457 1.00 0.00 H new ATOM 993 N ILE A 107 -2.320 -0.774 5.443 1.00 0.00 N ATOM 994 CA ILE A 107 -2.194 0.609 4.940 1.00 0.00 C ATOM 995 C ILE A 107 -3.171 1.541 5.684 1.00 0.00 C ATOM 996 O ILE A 107 -4.331 1.174 5.939 1.00 0.00 O ATOM 997 CB ILE A 107 -2.454 0.683 3.382 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.893 0.175 3.031 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.374 -0.111 2.599 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.267 0.239 1.568 1.00 0.00 C ATOM 0 H ILE A 107 -3.182 -1.237 5.155 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.172 0.939 5.128 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.384 1.727 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.987 -0.858 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.615 0.762 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.576 -0.044 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.390 0.309 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.396 -1.156 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.282 -0.136 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.214 1.272 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.576 -0.373 0.989 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.683 2.740 6.051 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.499 3.787 6.695 1.00 0.00 C ATOM 1014 C GLU A 108 -3.599 4.975 5.743 1.00 0.00 C ATOM 1015 O GLU A 108 -2.639 5.261 5.020 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.870 4.274 8.027 1.00 0.00 C ATOM 1017 CG GLU A 108 -2.451 3.181 9.011 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.595 2.246 9.431 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -4.480 2.675 10.198 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.587 1.067 9.030 1.00 0.00 O ATOM 0 H GLU A 108 -1.710 3.011 5.909 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.480 3.366 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.994 4.879 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.585 4.929 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.656 2.586 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.033 3.649 9.902 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.740 5.660 5.759 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.947 6.854 4.937 1.00 0.00 C ATOM 1029 C GLY A 109 -6.420 7.131 4.721 1.00 0.00 C ATOM 1030 O GLY A 109 -7.168 7.244 5.694 1.00 0.00 O ATOM 0 H GLY A 109 -5.542 5.408 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.481 7.714 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.455 6.723 3.973 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.844 7.233 3.447 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.253 7.426 3.115 1.00 0.00 C ATOM 1036 C GLY A 110 -8.527 7.295 1.625 1.00 0.00 C ATOM 1037 O GLY A 110 -7.710 7.711 0.795 1.00 0.00 O ATOM 0 H GLY A 110 -6.225 7.184 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.853 6.695 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.570 8.412 3.453 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.670 6.687 1.295 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.179 6.583 -0.077 1.00 0.00 C ATOM 1043 C LEU A 111 -11.053 7.813 -0.370 1.00 0.00 C ATOM 1044 O LEU A 111 -12.086 8.009 0.276 1.00 0.00 O ATOM 1045 CB LEU A 111 -11.009 5.278 -0.230 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.652 5.028 -1.632 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.578 4.754 -2.705 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.689 3.888 -1.567 1.00 0.00 C ATOM 0 H LEU A 111 -10.278 6.246 1.985 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.351 6.549 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.363 4.432 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.805 5.289 0.515 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.176 5.938 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -11.060 4.584 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.911 5.613 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.003 3.871 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.122 3.733 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.201 2.971 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.477 4.153 -0.863 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.621 8.652 -1.316 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.315 9.908 -1.640 1.00 0.00 C ATOM 1062 C ALA A 112 -12.379 9.673 -2.734 1.00 0.00 C ATOM 1063 O ALA A 112 -12.077 8.990 -3.716 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.300 10.964 -2.086 1.00 0.00 C ATOM 0 H ALA A 112 -9.786 8.484 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.825 10.270 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.821 11.891 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.586 11.145 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.769 10.609 -2.969 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.637 10.219 -2.580 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.714 10.070 -3.596 1.00 0.00 C ATOM 1072 C PRO A 113 -14.356 10.769 -4.924 1.00 0.00 C ATOM 1073 O PRO A 113 -14.614 11.959 -5.104 1.00 0.00 O ATOM 1074 CB PRO A 113 -15.971 10.704 -2.910 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.611 10.790 -1.455 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.115 10.999 -1.418 1.00 0.00 C ATOM 0 HA PRO A 113 -14.880 9.030 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.192 11.689 -3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.858 10.089 -3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.134 11.614 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.893 9.879 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.853 12.053 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.681 10.639 -0.485 1.00 0.00 H new ATOM 1084 N GLY A 114 -13.722 10.011 -5.825 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.222 10.529 -7.101 1.00 0.00 C ATOM 1086 C GLY A 114 -12.014 9.734 -7.537 1.00 0.00 C ATOM 1087 O GLY A 114 -11.887 9.335 -8.701 1.00 0.00 O ATOM 0 H GLY A 114 -13.541 9.017 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.002 10.468 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.959 11.582 -6.999 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.114 9.509 -6.571 1.00 0.00 N ATOM 1092 CA GLU A 115 -9.960 8.629 -6.733 1.00 0.00 C ATOM 1093 C GLU A 115 -10.338 7.220 -6.273 1.00 0.00 C ATOM 1094 O GLU A 115 -10.654 7.009 -5.101 1.00 0.00 O ATOM 1095 CB GLU A 115 -8.734 9.135 -5.920 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.151 10.495 -6.359 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.959 11.706 -5.861 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.720 12.150 -4.720 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -9.821 12.228 -6.603 1.00 0.00 O ATOM 0 H GLU A 115 -11.171 9.939 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.679 8.621 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.022 9.206 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.945 8.385 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.128 10.577 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.103 10.525 -7.448 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.316 6.264 -7.210 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.526 4.824 -6.906 1.00 0.00 C ATOM 1108 C ASP A 116 -9.338 4.260 -6.109 1.00 0.00 C ATOM 1109 O ASP A 116 -9.449 3.200 -5.476 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.724 4.006 -8.208 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.916 4.498 -9.042 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -13.052 4.031 -8.811 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -11.719 5.377 -9.914 1.00 0.00 O ATOM 0 H ASP A 116 -10.154 6.455 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.429 4.739 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.817 4.063 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.872 2.956 -7.954 1.00 0.00 H new ATOM 1118 N THR A 117 -8.213 4.990 -6.149 1.00 0.00 N ATOM 1119 CA THR A 117 -6.999 4.638 -5.417 1.00 0.00 C ATOM 1120 C THR A 117 -7.152 5.029 -3.929 1.00 0.00 C ATOM 1121 O THR A 117 -7.644 6.122 -3.603 1.00 0.00 O ATOM 1122 CB THR A 117 -5.724 5.318 -6.043 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.532 4.912 -5.345 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.801 6.857 -6.051 1.00 0.00 C ATOM 0 H THR A 117 -8.125 5.846 -6.696 1.00 0.00 H new ATOM 0 HA THR A 117 -6.859 3.560 -5.491 1.00 0.00 H new ATOM 0 HB THR A 117 -5.687 4.981 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.868 5.631 -5.386 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.893 7.264 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.664 7.175 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.900 7.222 -5.029 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.768 4.108 -3.037 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.676 4.364 -1.605 1.00 0.00 C ATOM 1134 C PHE A 118 -5.406 5.200 -1.375 1.00 0.00 C ATOM 1135 O PHE A 118 -4.283 4.703 -1.540 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.585 3.024 -0.823 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.668 3.173 0.698 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.549 3.534 1.459 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.865 2.945 1.364 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.633 3.658 2.831 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.944 3.069 2.732 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.830 3.424 3.466 1.00 0.00 C ATOM 0 H PHE A 118 -6.511 3.156 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.559 4.895 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.389 2.368 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.646 2.532 -1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.606 3.718 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.744 2.667 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.761 3.938 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.883 2.888 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.899 3.518 4.540 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.590 6.472 -1.031 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.487 7.415 -0.861 1.00 0.00 C ATOM 1154 C LYS A 119 -3.898 7.229 0.549 1.00 0.00 C ATOM 1155 O LYS A 119 -4.430 7.751 1.540 1.00 0.00 O ATOM 1156 CB LYS A 119 -5.030 8.844 -1.123 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.688 8.987 -2.527 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.546 10.257 -2.679 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.736 11.554 -2.597 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.624 12.740 -2.648 1.00 0.00 N ATOM 0 H LYS A 119 -6.510 6.879 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.676 7.241 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.762 9.097 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.214 9.561 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.906 8.994 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.311 8.113 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.066 10.222 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.310 10.265 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.158 11.568 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.023 11.594 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.069 13.578 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.372 12.583 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.055 12.891 -1.714 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.836 6.401 0.615 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.195 5.996 1.869 1.00 0.00 C ATOM 1176 C ALA A 120 -1.295 7.111 2.422 1.00 0.00 C ATOM 1177 O ALA A 120 -0.429 7.646 1.714 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.392 4.698 1.677 1.00 0.00 C ATOM 0 H ALA A 120 -2.400 5.994 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.983 5.810 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.925 4.416 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.061 3.901 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.621 4.855 0.923 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.548 7.454 3.685 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.754 8.409 4.449 1.00 0.00 C ATOM 1186 C ARG A 121 0.506 7.715 5.018 1.00 0.00 C ATOM 1187 O ARG A 121 1.604 8.289 4.995 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.633 9.016 5.579 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.989 10.198 6.338 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.966 10.860 7.326 1.00 0.00 C ATOM 1191 NE ARG A 121 -2.380 9.942 8.402 1.00 0.00 N ATOM 1192 CZ ARG A 121 -3.555 9.968 9.049 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -4.490 10.851 8.736 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -3.791 9.084 10.001 1.00 0.00 N ATOM 0 H ARG A 121 -2.328 7.066 4.215 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.419 9.219 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.576 9.351 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.873 8.230 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.112 9.844 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.642 10.942 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.496 11.741 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.848 11.205 6.786 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.713 9.222 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.324 11.528 7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.377 10.855 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.083 8.389 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.681 9.096 10.499 1.00 0.00 H new ATOM 1208 N THR A 122 0.335 6.463 5.516 1.00 0.00 N ATOM 1209 CA THR A 122 1.436 5.642 6.078 1.00 0.00 C ATOM 1210 C THR A 122 1.299 4.174 5.616 1.00 0.00 C ATOM 1211 O THR A 122 0.241 3.751 5.126 1.00 0.00 O ATOM 1212 CB THR A 122 1.478 5.691 7.653 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.216 5.283 8.186 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.831 7.090 8.204 1.00 0.00 C ATOM 0 H THR A 122 -0.571 5.995 5.539 1.00 0.00 H new ATOM 0 HA THR A 122 2.368 6.066 5.705 1.00 0.00 H new ATOM 0 HB THR A 122 2.268 5.008 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.249 5.314 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.844 7.059 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.813 7.388 7.837 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.085 7.811 7.870 1.00 0.00 H new ATOM 1222 N LEU A 123 2.391 3.409 5.795 1.00 0.00 N ATOM 1223 CA LEU A 123 2.491 1.987 5.417 1.00 0.00 C ATOM 1224 C LEU A 123 3.153 1.208 6.565 1.00 0.00 C ATOM 1225 O LEU A 123 4.129 1.684 7.148 1.00 0.00 O ATOM 1226 CB LEU A 123 3.355 1.854 4.127 1.00 0.00 C ATOM 1227 CG LEU A 123 3.642 0.416 3.590 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.357 -0.245 3.051 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.769 0.436 2.523 1.00 0.00 C ATOM 0 H LEU A 123 3.247 3.770 6.216 1.00 0.00 H new ATOM 0 HA LEU A 123 1.496 1.584 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.862 2.416 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.313 2.340 4.313 1.00 0.00 H new ATOM 0 HG LEU A 123 3.992 -0.192 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.589 -1.245 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.620 -0.314 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.953 0.356 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.949 -0.578 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.468 1.067 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.683 0.832 2.966 1.00 0.00 H new ATOM 1241 N MET A 124 2.622 0.018 6.886 1.00 0.00 N ATOM 1242 CA MET A 124 3.239 -0.892 7.866 1.00 0.00 C ATOM 1243 C MET A 124 3.191 -2.324 7.328 1.00 0.00 C ATOM 1244 O MET A 124 2.111 -2.876 7.103 1.00 0.00 O ATOM 1245 CB MET A 124 2.528 -0.813 9.241 1.00 0.00 C ATOM 1246 CG MET A 124 3.139 -1.717 10.333 1.00 0.00 C ATOM 1247 SD MET A 124 2.239 -1.640 11.905 1.00 0.00 S ATOM 1248 CE MET A 124 0.618 -2.248 11.432 1.00 0.00 C ATOM 0 H MET A 124 1.759 -0.340 6.477 1.00 0.00 H new ATOM 0 HA MET A 124 4.275 -0.588 8.014 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.551 0.220 9.588 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.480 -1.082 9.109 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.151 -2.748 9.978 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.176 -1.425 10.500 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.222 -2.884 12.224 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.055 -1.405 11.273 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.700 -2.825 10.511 1.00 0.00 H new ATOM 1258 N THR A 125 4.370 -2.899 7.117 1.00 0.00 N ATOM 1259 CA THR A 125 4.539 -4.279 6.660 1.00 0.00 C ATOM 1260 C THR A 125 4.418 -5.245 7.854 1.00 0.00 C ATOM 1261 O THR A 125 4.866 -4.914 8.960 1.00 0.00 O ATOM 1262 CB THR A 125 5.933 -4.415 5.966 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.973 -4.041 6.890 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.028 -3.521 4.714 1.00 0.00 C ATOM 0 H THR A 125 5.254 -2.411 7.261 1.00 0.00 H new ATOM 0 HA THR A 125 3.760 -4.535 5.942 1.00 0.00 H new ATOM 0 HB THR A 125 6.054 -5.454 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.834 -4.017 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.010 -3.640 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.257 -3.811 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.884 -2.479 4.999 1.00 0.00 H new ATOM 1272 N LYS A 126 3.803 -6.426 7.642 1.00 0.00 N ATOM 1273 CA LYS A 126 3.633 -7.437 8.714 1.00 0.00 C ATOM 1274 C LYS A 126 4.969 -8.099 9.084 1.00 0.00 C ATOM 1275 O LYS A 126 5.127 -8.602 10.201 1.00 0.00 O ATOM 1276 CB LYS A 126 2.570 -8.500 8.318 1.00 0.00 C ATOM 1277 CG LYS A 126 1.082 -8.049 8.437 1.00 0.00 C ATOM 1278 CD LYS A 126 0.518 -8.069 9.895 1.00 0.00 C ATOM 1279 CE LYS A 126 0.983 -6.902 10.788 1.00 0.00 C ATOM 1280 NZ LYS A 126 0.426 -7.000 12.160 1.00 0.00 N ATOM 0 H LYS A 126 3.415 -6.706 6.741 1.00 0.00 H new ATOM 0 HA LYS A 126 3.271 -6.916 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.756 -8.806 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.714 -9.381 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.988 -7.039 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.467 -8.698 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.571 -8.059 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 126 0.808 -9.007 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 126 2.072 -6.894 10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.678 -5.957 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.762 -6.197 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.613 -6.982 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.738 -7.890 12.599 1.00 0.00 H new