USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 170:sc=0.000138 USER MOD Set 1.2: A 125 THR OG1 : rot 140:sc=0.000316 USER MOD Single : A 52 THR OG1 : rot 23:sc= 0.103 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -177:sc= 0 (180deg=-0.00605) USER MOD Single : A 86 THR OG1 : rot 25:sc= -0.113 USER MOD Single : A 91 TYR OH : rot 178:sc= 0.00272 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 170:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -174:sc=-0.00278 (180deg=-0.0378) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 124 MET CE :methyl 175:sc= -0.703 (180deg=-0.933) USER MOD Single : A 126 LYS NZ :NH3+ -108:sc= 0.378 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -9.047 8.609 9.320 1.00 0.00 N ATOM 147 CA THR A 52 -8.139 7.529 8.946 1.00 0.00 C ATOM 148 C THR A 52 -8.950 6.277 8.534 1.00 0.00 C ATOM 149 O THR A 52 -9.736 5.738 9.324 1.00 0.00 O ATOM 150 CB THR A 52 -7.154 7.189 10.108 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.465 8.383 10.530 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.118 6.115 9.704 1.00 0.00 C ATOM 0 HA THR A 52 -7.543 7.861 8.096 1.00 0.00 H new ATOM 0 HB THR A 52 -7.748 6.785 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.995 9.170 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.456 5.913 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.636 5.198 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.531 6.475 8.859 1.00 0.00 H new ATOM 160 N VAL A 53 -8.782 5.881 7.269 1.00 0.00 N ATOM 161 CA VAL A 53 -9.338 4.648 6.697 1.00 0.00 C ATOM 162 C VAL A 53 -8.214 3.607 6.715 1.00 0.00 C ATOM 163 O VAL A 53 -7.112 3.902 6.255 1.00 0.00 O ATOM 164 CB VAL A 53 -9.844 4.886 5.216 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.426 3.594 4.583 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.864 6.048 5.146 1.00 0.00 C ATOM 0 H VAL A 53 -8.241 6.423 6.595 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.198 4.311 7.276 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.972 5.169 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.760 3.805 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.657 2.822 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.270 3.246 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.190 6.184 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.725 5.814 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.395 6.965 5.502 1.00 0.00 H new ATOM 176 N ARG A 54 -8.471 2.420 7.278 1.00 0.00 N ATOM 177 CA ARG A 54 -7.474 1.335 7.345 1.00 0.00 C ATOM 178 C ARG A 54 -7.922 0.150 6.485 1.00 0.00 C ATOM 179 O ARG A 54 -9.089 -0.241 6.520 1.00 0.00 O ATOM 180 CB ARG A 54 -7.229 0.891 8.819 1.00 0.00 C ATOM 181 CG ARG A 54 -6.212 -0.273 8.973 1.00 0.00 C ATOM 182 CD ARG A 54 -5.663 -0.419 10.402 1.00 0.00 C ATOM 183 NE ARG A 54 -6.719 -0.664 11.405 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.898 0.041 12.530 1.00 0.00 C ATOM 185 NH1 ARG A 54 -6.192 1.136 12.769 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.810 -0.333 13.402 1.00 0.00 N ATOM 0 H ARG A 54 -9.369 2.182 7.699 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.530 1.711 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.872 1.748 9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.180 0.588 9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.692 -1.206 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.380 -0.112 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.948 -1.241 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.118 0.486 10.670 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.365 -1.433 11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.499 1.454 12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.341 1.661 13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.380 -1.159 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.947 0.203 14.259 1.00 0.00 H new ATOM 200 N LEU A 55 -6.987 -0.389 5.690 1.00 0.00 N ATOM 201 CA LEU A 55 -7.200 -1.578 4.851 1.00 0.00 C ATOM 202 C LEU A 55 -6.226 -2.682 5.244 1.00 0.00 C ATOM 203 O LEU A 55 -5.207 -2.435 5.904 1.00 0.00 O ATOM 204 CB LEU A 55 -7.013 -1.229 3.359 1.00 0.00 C ATOM 205 CG LEU A 55 -8.029 -0.229 2.764 1.00 0.00 C ATOM 206 CD1 LEU A 55 -7.628 0.167 1.329 1.00 0.00 C ATOM 207 CD2 LEU A 55 -9.472 -0.787 2.821 1.00 0.00 C ATOM 0 H LEU A 55 -6.045 -0.005 5.610 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.221 -1.928 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.011 -0.821 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.062 -2.152 2.782 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.012 0.673 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.357 0.872 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.642 0.632 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.601 -0.723 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.161 -0.058 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.526 -1.715 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.746 -0.982 3.858 1.00 0.00 H new ATOM 219 N PHE A 56 -6.547 -3.896 4.790 1.00 0.00 N ATOM 220 CA PHE A 56 -5.784 -5.130 5.077 1.00 0.00 C ATOM 221 C PHE A 56 -5.721 -5.973 3.788 1.00 0.00 C ATOM 222 O PHE A 56 -6.724 -6.062 3.060 1.00 0.00 O ATOM 223 CB PHE A 56 -6.473 -5.966 6.197 1.00 0.00 C ATOM 224 CG PHE A 56 -6.821 -5.206 7.475 1.00 0.00 C ATOM 225 CD1 PHE A 56 -5.827 -4.816 8.363 1.00 0.00 C ATOM 226 CD2 PHE A 56 -8.143 -4.883 7.792 1.00 0.00 C ATOM 227 CE1 PHE A 56 -6.134 -4.134 9.520 1.00 0.00 C ATOM 228 CE2 PHE A 56 -8.452 -4.199 8.951 1.00 0.00 C ATOM 229 CZ PHE A 56 -7.445 -3.825 9.816 1.00 0.00 C ATOM 0 H PHE A 56 -7.362 -4.060 4.199 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.784 -4.859 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.389 -6.396 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.819 -6.798 6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.796 -5.051 8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.936 -5.173 7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.346 -3.840 10.197 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.480 -3.958 9.180 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.683 -3.291 10.724 1.00 0.00 H new ATOM 239 N GLY A 57 -4.563 -6.593 3.504 1.00 0.00 N ATOM 240 CA GLY A 57 -4.417 -7.457 2.329 1.00 0.00 C ATOM 241 C GLY A 57 -2.968 -7.815 2.049 1.00 0.00 C ATOM 242 O GLY A 57 -2.128 -7.760 2.938 1.00 0.00 O ATOM 0 H GLY A 57 -3.720 -6.510 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.991 -8.371 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.839 -6.956 1.458 1.00 0.00 H new ATOM 246 N THR A 58 -2.688 -8.189 0.803 1.00 0.00 N ATOM 247 CA THR A 58 -1.361 -8.606 0.337 1.00 0.00 C ATOM 248 C THR A 58 -0.927 -7.713 -0.847 1.00 0.00 C ATOM 249 O THR A 58 -1.772 -7.219 -1.603 1.00 0.00 O ATOM 250 CB THR A 58 -1.410 -10.110 -0.104 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.977 -10.905 0.957 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.028 -10.674 -0.477 1.00 0.00 C ATOM 0 H THR A 58 -3.394 -8.212 0.067 1.00 0.00 H new ATOM 0 HA THR A 58 -0.637 -8.499 1.144 1.00 0.00 H new ATOM 0 HB THR A 58 -2.030 -10.158 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.009 -11.845 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.129 -11.718 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.388 -10.100 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.638 -10.604 0.383 1.00 0.00 H new ATOM 260 N VAL A 59 0.390 -7.485 -0.976 1.00 0.00 N ATOM 261 CA VAL A 59 0.980 -6.713 -2.080 1.00 0.00 C ATOM 262 C VAL A 59 0.946 -7.535 -3.376 1.00 0.00 C ATOM 263 O VAL A 59 1.340 -8.712 -3.383 1.00 0.00 O ATOM 264 CB VAL A 59 2.474 -6.313 -1.788 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.032 -5.365 -2.874 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.616 -5.693 -0.391 1.00 0.00 C ATOM 0 H VAL A 59 1.080 -7.834 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 59 0.387 -5.804 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 59 3.068 -7.227 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.065 -5.111 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.992 -5.860 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.433 -4.455 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.658 -5.426 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.996 -4.799 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.295 -6.413 0.361 1.00 0.00 H new ATOM 276 N ALA A 60 0.458 -6.913 -4.453 1.00 0.00 N ATOM 277 CA ALA A 60 0.491 -7.498 -5.792 1.00 0.00 C ATOM 278 C ALA A 60 1.917 -7.456 -6.376 1.00 0.00 C ATOM 279 O ALA A 60 2.572 -6.401 -6.348 1.00 0.00 O ATOM 280 CB ALA A 60 -0.484 -6.762 -6.709 1.00 0.00 C ATOM 0 H ALA A 60 0.029 -5.988 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 60 0.188 -8.542 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.452 -7.205 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.494 -6.844 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.203 -5.711 -6.771 1.00 0.00 H new ATOM 286 N ALA A 61 2.394 -8.609 -6.870 1.00 0.00 N ATOM 287 CA ALA A 61 3.647 -8.706 -7.640 1.00 0.00 C ATOM 288 C ALA A 61 3.453 -8.062 -9.027 1.00 0.00 C ATOM 289 O ALA A 61 4.295 -7.286 -9.497 1.00 0.00 O ATOM 290 CB ALA A 61 4.070 -10.178 -7.768 1.00 0.00 C ATOM 0 H ALA A 61 1.921 -9.504 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 61 4.440 -8.170 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.997 -10.242 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.225 -10.600 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.288 -10.738 -8.282 1.00 0.00 H new ATOM 296 N ASP A 62 2.320 -8.399 -9.661 1.00 0.00 N ATOM 297 CA ASP A 62 1.864 -7.779 -10.914 1.00 0.00 C ATOM 298 C ASP A 62 1.017 -6.549 -10.562 1.00 0.00 C ATOM 299 O ASP A 62 0.011 -6.680 -9.866 1.00 0.00 O ATOM 300 CB ASP A 62 1.030 -8.791 -11.752 1.00 0.00 C ATOM 301 CG ASP A 62 0.495 -8.186 -13.066 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.248 -8.144 -14.062 1.00 0.00 O ATOM 303 OD2 ASP A 62 -0.668 -7.728 -13.106 1.00 0.00 O ATOM 0 H ASP A 62 1.687 -9.119 -9.313 1.00 0.00 H new ATOM 0 HA ASP A 62 2.724 -7.480 -11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.647 -9.659 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.191 -9.146 -11.153 1.00 0.00 H new ATOM 308 N GLY A 63 1.442 -5.376 -11.032 1.00 0.00 N ATOM 309 CA GLY A 63 0.771 -4.107 -10.726 1.00 0.00 C ATOM 310 C GLY A 63 1.408 -3.415 -9.529 1.00 0.00 C ATOM 311 O GLY A 63 0.727 -3.054 -8.557 1.00 0.00 O ATOM 0 H GLY A 63 2.259 -5.276 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.818 -3.450 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.284 -4.292 -10.522 1.00 0.00 H new ATOM 315 N LEU A 64 2.736 -3.260 -9.613 1.00 0.00 N ATOM 316 CA LEU A 64 3.559 -2.558 -8.612 1.00 0.00 C ATOM 317 C LEU A 64 4.540 -1.660 -9.384 1.00 0.00 C ATOM 318 O LEU A 64 5.273 -2.131 -10.262 1.00 0.00 O ATOM 319 CB LEU A 64 4.303 -3.580 -7.682 1.00 0.00 C ATOM 320 CG LEU A 64 4.911 -3.034 -6.325 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.309 -4.193 -5.387 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.118 -2.078 -6.531 1.00 0.00 C ATOM 0 H LEU A 64 3.282 -3.625 -10.393 1.00 0.00 H new ATOM 0 HA LEU A 64 2.939 -1.950 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.605 -4.381 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.114 -4.027 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 64 4.118 -2.449 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.723 -3.788 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.429 -4.794 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.056 -4.817 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.485 -1.742 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.914 -2.605 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.803 -1.216 -7.119 1.00 0.00 H new ATOM 334 N THR A 65 4.539 -0.369 -9.050 1.00 0.00 N ATOM 335 CA THR A 65 5.377 0.657 -9.687 1.00 0.00 C ATOM 336 C THR A 65 5.886 1.627 -8.602 1.00 0.00 C ATOM 337 O THR A 65 5.164 1.930 -7.659 1.00 0.00 O ATOM 338 CB THR A 65 4.548 1.448 -10.764 1.00 0.00 C ATOM 339 OG1 THR A 65 3.863 0.528 -11.631 1.00 0.00 O ATOM 340 CG2 THR A 65 5.413 2.385 -11.626 1.00 0.00 C ATOM 0 H THR A 65 3.943 0.005 -8.312 1.00 0.00 H new ATOM 0 HA THR A 65 6.221 0.179 -10.185 1.00 0.00 H new ATOM 0 HB THR A 65 3.840 2.065 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.348 1.029 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.781 2.901 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.905 3.118 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.167 1.801 -12.154 1.00 0.00 H new ATOM 348 N MET A 66 7.130 2.100 -8.727 1.00 0.00 N ATOM 349 CA MET A 66 7.687 3.115 -7.815 1.00 0.00 C ATOM 350 C MET A 66 7.504 4.515 -8.433 1.00 0.00 C ATOM 351 O MET A 66 7.500 4.657 -9.662 1.00 0.00 O ATOM 352 CB MET A 66 9.185 2.832 -7.536 1.00 0.00 C ATOM 353 CG MET A 66 9.455 1.514 -6.786 1.00 0.00 C ATOM 354 SD MET A 66 8.735 1.491 -5.128 1.00 0.00 S ATOM 355 CE MET A 66 9.258 -0.113 -4.510 1.00 0.00 C ATOM 0 H MET A 66 7.777 1.796 -9.455 1.00 0.00 H new ATOM 0 HA MET A 66 7.155 3.073 -6.865 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.721 2.812 -8.485 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.596 3.657 -6.955 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.051 0.683 -7.364 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.531 1.357 -6.712 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.837 -0.276 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.909 -0.894 -5.185 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.346 -0.143 -4.451 1.00 0.00 H new ATOM 365 N LEU A 67 7.315 5.532 -7.572 1.00 0.00 N ATOM 366 CA LEU A 67 7.250 6.937 -8.006 1.00 0.00 C ATOM 367 C LEU A 67 8.664 7.382 -8.437 1.00 0.00 C ATOM 368 O LEU A 67 9.613 7.260 -7.655 1.00 0.00 O ATOM 369 CB LEU A 67 6.704 7.850 -6.869 1.00 0.00 C ATOM 370 CG LEU A 67 5.292 7.495 -6.283 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.905 8.477 -5.149 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.209 7.459 -7.386 1.00 0.00 C ATOM 0 H LEU A 67 7.204 5.404 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 67 6.563 7.027 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.423 7.837 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.667 8.873 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 67 5.353 6.493 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.923 8.212 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.643 8.418 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.877 9.493 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.245 7.210 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.146 8.436 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.471 6.706 -8.129 1.00 0.00 H new ATOM 384 N ASP A 68 8.804 7.866 -9.683 1.00 0.00 N ATOM 385 CA ASP A 68 10.110 8.277 -10.257 1.00 0.00 C ATOM 386 C ASP A 68 10.279 9.791 -10.113 1.00 0.00 C ATOM 387 O ASP A 68 9.422 10.553 -10.572 1.00 0.00 O ATOM 388 CB ASP A 68 10.217 7.874 -11.753 1.00 0.00 C ATOM 389 CG ASP A 68 10.309 6.357 -11.970 1.00 0.00 C ATOM 390 OD1 ASP A 68 9.260 5.685 -12.023 1.00 0.00 O ATOM 391 OD2 ASP A 68 11.431 5.828 -12.095 1.00 0.00 O ATOM 0 H ASP A 68 8.020 7.986 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 68 10.902 7.765 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.349 8.258 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.096 8.350 -12.188 1.00 0.00 H new ATOM 396 N GLY A 69 11.389 10.210 -9.482 1.00 0.00 N ATOM 397 CA GLY A 69 11.631 11.622 -9.160 1.00 0.00 C ATOM 398 C GLY A 69 10.711 12.118 -8.048 1.00 0.00 C ATOM 399 O GLY A 69 10.364 13.305 -7.989 1.00 0.00 O ATOM 0 H GLY A 69 12.137 9.583 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.670 11.752 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.481 12.229 -10.053 1.00 0.00 H new ATOM 403 N ALA A 70 10.310 11.177 -7.175 1.00 0.00 N ATOM 404 CA ALA A 70 9.397 11.413 -6.050 1.00 0.00 C ATOM 405 C ALA A 70 9.470 10.211 -5.082 1.00 0.00 C ATOM 406 O ALA A 70 9.409 9.068 -5.542 1.00 0.00 O ATOM 407 CB ALA A 70 7.952 11.604 -6.552 1.00 0.00 C ATOM 0 H ALA A 70 10.622 10.208 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 70 9.696 12.323 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.292 11.778 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.911 12.461 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.631 10.709 -7.084 1.00 0.00 H new ATOM 413 N PRO A 71 9.628 10.427 -3.738 1.00 0.00 N ATOM 414 CA PRO A 71 9.653 9.311 -2.762 1.00 0.00 C ATOM 415 C PRO A 71 8.260 8.649 -2.610 1.00 0.00 C ATOM 416 O PRO A 71 7.276 9.327 -2.289 1.00 0.00 O ATOM 417 CB PRO A 71 10.123 9.994 -1.447 1.00 0.00 C ATOM 418 CG PRO A 71 9.713 11.430 -1.592 1.00 0.00 C ATOM 419 CD PRO A 71 9.823 11.749 -3.072 1.00 0.00 C ATOM 0 HA PRO A 71 10.308 8.495 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.657 9.536 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.201 9.902 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.695 11.583 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.359 12.082 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.066 12.469 -3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.793 12.181 -3.317 1.00 0.00 H new ATOM 427 N GLY A 72 8.177 7.337 -2.899 1.00 0.00 N ATOM 428 CA GLY A 72 6.967 6.555 -2.639 1.00 0.00 C ATOM 429 C GLY A 72 6.812 5.350 -3.558 1.00 0.00 C ATOM 430 O GLY A 72 7.675 5.078 -4.405 1.00 0.00 O ATOM 0 H GLY A 72 8.939 6.800 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.981 6.213 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.096 7.201 -2.750 1.00 0.00 H new ATOM 434 N VAL A 73 5.682 4.650 -3.391 1.00 0.00 N ATOM 435 CA VAL A 73 5.324 3.449 -4.164 1.00 0.00 C ATOM 436 C VAL A 73 3.809 3.453 -4.445 1.00 0.00 C ATOM 437 O VAL A 73 3.007 3.841 -3.589 1.00 0.00 O ATOM 438 CB VAL A 73 5.727 2.114 -3.413 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.059 1.994 -2.015 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.435 0.859 -4.281 1.00 0.00 C ATOM 0 H VAL A 73 4.976 4.906 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 73 5.881 3.477 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 73 6.803 2.166 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.368 1.061 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.365 2.835 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.975 2.001 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.724 -0.038 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.371 0.816 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.005 0.917 -5.208 1.00 0.00 H new ATOM 450 N ARG A 74 3.431 3.049 -5.663 1.00 0.00 N ATOM 451 CA ARG A 74 2.039 2.823 -6.045 1.00 0.00 C ATOM 452 C ARG A 74 1.868 1.354 -6.467 1.00 0.00 C ATOM 453 O ARG A 74 2.561 0.880 -7.357 1.00 0.00 O ATOM 454 CB ARG A 74 1.608 3.775 -7.187 1.00 0.00 C ATOM 455 CG ARG A 74 0.079 3.789 -7.441 1.00 0.00 C ATOM 456 CD ARG A 74 -0.311 4.742 -8.576 1.00 0.00 C ATOM 457 NE ARG A 74 -1.765 4.994 -8.632 1.00 0.00 N ATOM 458 CZ ARG A 74 -2.324 6.112 -9.137 1.00 0.00 C ATOM 459 NH1 ARG A 74 -1.564 7.107 -9.584 1.00 0.00 N ATOM 460 NH2 ARG A 74 -3.643 6.236 -9.180 1.00 0.00 N ATOM 0 H ARG A 74 4.093 2.869 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 74 1.397 3.034 -5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.937 4.786 -6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.117 3.482 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.256 2.781 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.437 4.085 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.213 5.689 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.018 4.323 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.388 4.275 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.548 7.029 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.997 7.949 -9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.238 5.485 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.063 7.083 -9.563 1.00 0.00 H new ATOM 474 N PHE A 75 0.915 0.667 -5.844 1.00 0.00 N ATOM 475 CA PHE A 75 0.666 -0.772 -6.060 1.00 0.00 C ATOM 476 C PHE A 75 -0.807 -1.058 -5.803 1.00 0.00 C ATOM 477 O PHE A 75 -1.484 -0.257 -5.177 1.00 0.00 O ATOM 478 CB PHE A 75 1.577 -1.651 -5.147 1.00 0.00 C ATOM 479 CG PHE A 75 1.339 -1.503 -3.635 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.877 -0.430 -2.921 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.573 -2.444 -2.929 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.665 -0.303 -1.560 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.363 -2.314 -1.568 1.00 0.00 C ATOM 484 CZ PHE A 75 0.907 -1.245 -0.884 1.00 0.00 C ATOM 0 H PHE A 75 0.282 1.090 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 75 0.912 -1.028 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.433 -2.697 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.618 -1.407 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.467 0.311 -3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.141 -3.282 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.091 0.532 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.227 -3.049 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.741 -1.143 0.178 1.00 0.00 H new ATOM 494 N ARG A 76 -1.308 -2.195 -6.281 1.00 0.00 N ATOM 495 CA ARG A 76 -2.712 -2.577 -6.061 1.00 0.00 C ATOM 496 C ARG A 76 -2.769 -3.595 -4.910 1.00 0.00 C ATOM 497 O ARG A 76 -2.117 -4.648 -4.960 1.00 0.00 O ATOM 498 CB ARG A 76 -3.370 -3.108 -7.368 1.00 0.00 C ATOM 499 CG ARG A 76 -2.666 -4.303 -8.034 1.00 0.00 C ATOM 500 CD ARG A 76 -3.392 -4.808 -9.292 1.00 0.00 C ATOM 501 NE ARG A 76 -2.798 -6.058 -9.794 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.378 -6.912 -10.644 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.604 -6.693 -11.106 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.721 -7.990 -11.028 1.00 0.00 N ATOM 0 H ARG A 76 -0.769 -2.870 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.295 -1.701 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.398 -3.394 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.416 -2.290 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.649 -4.015 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.589 -5.118 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.446 -4.971 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.348 -4.045 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.862 -6.293 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.119 -5.863 -10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.031 -7.355 -11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.780 -8.166 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.155 -8.648 -11.676 1.00 0.00 H new ATOM 518 N LEU A 77 -3.483 -3.227 -3.835 1.00 0.00 N ATOM 519 CA LEU A 77 -3.674 -4.097 -2.673 1.00 0.00 C ATOM 520 C LEU A 77 -4.664 -5.214 -3.021 1.00 0.00 C ATOM 521 O LEU A 77 -5.831 -4.944 -3.340 1.00 0.00 O ATOM 522 CB LEU A 77 -4.196 -3.299 -1.448 1.00 0.00 C ATOM 523 CG LEU A 77 -4.326 -4.117 -0.122 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.938 -4.533 0.409 1.00 0.00 C ATOM 525 CD2 LEU A 77 -5.140 -3.354 0.944 1.00 0.00 C ATOM 0 H LEU A 77 -3.941 -2.320 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.708 -4.527 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.526 -2.457 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.173 -2.883 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.880 -5.028 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.057 -5.101 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.434 -5.151 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.341 -3.642 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.207 -3.956 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.646 -2.409 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.142 -3.157 0.564 1.00 0.00 H new ATOM 537 N GLU A 78 -4.173 -6.452 -3.002 1.00 0.00 N ATOM 538 CA GLU A 78 -5.008 -7.644 -3.078 1.00 0.00 C ATOM 539 C GLU A 78 -5.702 -7.820 -1.726 1.00 0.00 C ATOM 540 O GLU A 78 -5.070 -8.256 -0.766 1.00 0.00 O ATOM 541 CB GLU A 78 -4.130 -8.883 -3.414 1.00 0.00 C ATOM 542 CG GLU A 78 -3.198 -8.702 -4.630 1.00 0.00 C ATOM 543 CD GLU A 78 -2.236 -9.889 -4.834 1.00 0.00 C ATOM 544 OE1 GLU A 78 -1.429 -10.178 -3.923 1.00 0.00 O ATOM 545 OE2 GLU A 78 -2.272 -10.533 -5.905 1.00 0.00 O ATOM 0 H GLU A 78 -3.176 -6.655 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.755 -7.542 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.524 -9.129 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.784 -9.735 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.802 -8.573 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.617 -7.789 -4.503 1.00 0.00 H new ATOM 552 N ASP A 79 -6.983 -7.442 -1.652 1.00 0.00 N ATOM 553 CA ASP A 79 -7.795 -7.532 -0.415 1.00 0.00 C ATOM 554 C ASP A 79 -7.773 -8.953 0.182 1.00 0.00 C ATOM 555 O ASP A 79 -7.439 -9.906 -0.525 1.00 0.00 O ATOM 556 CB ASP A 79 -9.249 -7.077 -0.706 1.00 0.00 C ATOM 557 CG ASP A 79 -9.357 -5.572 -1.042 1.00 0.00 C ATOM 558 OD1 ASP A 79 -8.848 -5.143 -2.100 1.00 0.00 O ATOM 559 OD2 ASP A 79 -9.953 -4.810 -0.246 1.00 0.00 O ATOM 0 H ASP A 79 -7.496 -7.062 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.355 -6.867 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.646 -7.658 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.872 -7.295 0.161 1.00 0.00 H new ATOM 659 N THR A 86 -8.955 -5.750 -6.597 1.00 0.00 N ATOM 660 CA THR A 86 -7.801 -4.999 -6.079 1.00 0.00 C ATOM 661 C THR A 86 -8.047 -3.486 -6.192 1.00 0.00 C ATOM 662 O THR A 86 -8.396 -2.983 -7.267 1.00 0.00 O ATOM 663 CB THR A 86 -6.496 -5.365 -6.869 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.708 -5.191 -8.281 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.038 -6.806 -6.605 1.00 0.00 C ATOM 0 HA THR A 86 -7.674 -5.270 -5.031 1.00 0.00 H new ATOM 0 HB THR A 86 -5.713 -4.693 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.420 -4.534 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.131 -7.010 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.835 -6.934 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.822 -7.499 -6.911 1.00 0.00 H new ATOM 673 N VAL A 87 -7.861 -2.772 -5.076 1.00 0.00 N ATOM 674 CA VAL A 87 -7.877 -1.291 -5.041 1.00 0.00 C ATOM 675 C VAL A 87 -6.427 -0.792 -4.980 1.00 0.00 C ATOM 676 O VAL A 87 -5.604 -1.367 -4.258 1.00 0.00 O ATOM 677 CB VAL A 87 -8.720 -0.754 -3.815 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.540 0.776 -3.573 1.00 0.00 C ATOM 679 CG2 VAL A 87 -10.219 -1.105 -4.001 1.00 0.00 C ATOM 0 H VAL A 87 -7.694 -3.199 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.358 -0.910 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.337 -1.254 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.144 1.083 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.491 0.992 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.860 1.325 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.789 -0.730 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.589 -0.645 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -10.334 -2.187 -4.066 1.00 0.00 H new ATOM 689 N TRP A 88 -6.128 0.277 -5.736 1.00 0.00 N ATOM 690 CA TRP A 88 -4.768 0.824 -5.845 1.00 0.00 C ATOM 691 C TRP A 88 -4.379 1.572 -4.566 1.00 0.00 C ATOM 692 O TRP A 88 -5.229 1.912 -3.751 1.00 0.00 O ATOM 693 CB TRP A 88 -4.639 1.722 -7.099 1.00 0.00 C ATOM 694 CG TRP A 88 -4.656 0.916 -8.373 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.746 0.544 -9.111 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.516 0.343 -9.025 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.345 -0.213 -10.184 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.984 -0.355 -10.151 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.143 0.350 -8.757 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.130 -1.034 -11.014 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.295 -0.320 -9.614 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.789 -1.012 -10.731 1.00 0.00 C ATOM 0 H TRP A 88 -6.821 0.784 -6.287 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.069 -0.004 -5.963 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.456 2.443 -7.115 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.712 2.293 -7.043 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.769 0.806 -8.884 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.963 -0.607 -10.893 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.754 0.871 -7.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.510 -1.560 -11.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.232 -0.312 -9.422 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.101 -1.536 -11.378 1.00 0.00 H new ATOM 713 N VAL A 89 -3.071 1.760 -4.377 1.00 0.00 N ATOM 714 CA VAL A 89 -2.494 2.332 -3.160 1.00 0.00 C ATOM 715 C VAL A 89 -1.429 3.350 -3.556 1.00 0.00 C ATOM 716 O VAL A 89 -0.375 2.974 -4.068 1.00 0.00 O ATOM 717 CB VAL A 89 -1.833 1.234 -2.240 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.319 1.848 -0.909 1.00 0.00 C ATOM 719 CG2 VAL A 89 -2.793 0.048 -1.985 1.00 0.00 C ATOM 0 H VAL A 89 -2.372 1.515 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.299 2.800 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.969 0.838 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.869 1.066 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.574 2.613 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.153 2.296 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.302 -0.687 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.696 0.410 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.059 -0.416 -2.935 1.00 0.00 H new ATOM 729 N LEU A 90 -1.729 4.628 -3.351 1.00 0.00 N ATOM 730 CA LEU A 90 -0.778 5.717 -3.538 1.00 0.00 C ATOM 731 C LEU A 90 -0.113 6.026 -2.189 1.00 0.00 C ATOM 732 O LEU A 90 -0.671 6.766 -1.363 1.00 0.00 O ATOM 733 CB LEU A 90 -1.486 6.973 -4.108 1.00 0.00 C ATOM 734 CG LEU A 90 -0.559 8.199 -4.392 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.519 7.863 -5.449 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.391 9.437 -4.790 1.00 0.00 C ATOM 0 H LEU A 90 -2.651 4.940 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.016 5.419 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.987 6.696 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.261 7.281 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.031 8.441 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.145 8.739 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.137 7.040 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.036 7.573 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.724 10.277 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.965 9.216 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.073 9.693 -3.979 1.00 0.00 H new ATOM 748 N TYR A 91 1.046 5.406 -1.965 1.00 0.00 N ATOM 749 CA TYR A 91 1.887 5.671 -0.792 1.00 0.00 C ATOM 750 C TYR A 91 3.013 6.623 -1.207 1.00 0.00 C ATOM 751 O TYR A 91 3.645 6.420 -2.250 1.00 0.00 O ATOM 752 CB TYR A 91 2.488 4.363 -0.195 1.00 0.00 C ATOM 753 CG TYR A 91 3.428 4.629 0.992 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.920 5.106 2.202 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.817 4.444 0.893 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.749 5.390 3.263 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.647 4.721 1.959 1.00 0.00 C ATOM 758 CZ TYR A 91 5.106 5.195 3.139 1.00 0.00 C ATOM 759 OH TYR A 91 5.926 5.483 4.204 1.00 0.00 O ATOM 0 H TYR A 91 1.432 4.702 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 91 1.268 6.121 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.677 3.710 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.034 3.831 -0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.856 5.255 2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.241 4.080 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.337 5.764 4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.713 4.569 1.872 1.00 0.00 H new ATOM 0 HH TYR A 91 6.852 5.262 3.973 1.00 0.00 H new ATOM 769 N LYS A 92 3.229 7.681 -0.415 1.00 0.00 N ATOM 770 CA LYS A 92 4.389 8.577 -0.566 1.00 0.00 C ATOM 771 C LYS A 92 5.254 8.558 0.699 1.00 0.00 C ATOM 772 O LYS A 92 4.756 8.314 1.803 1.00 0.00 O ATOM 773 CB LYS A 92 3.916 10.009 -0.911 1.00 0.00 C ATOM 774 CG LYS A 92 3.065 10.060 -2.190 1.00 0.00 C ATOM 775 CD LYS A 92 2.823 11.481 -2.703 1.00 0.00 C ATOM 776 CE LYS A 92 2.069 11.466 -4.031 1.00 0.00 C ATOM 777 NZ LYS A 92 1.967 12.816 -4.634 1.00 0.00 N ATOM 0 H LYS A 92 2.606 7.942 0.349 1.00 0.00 H new ATOM 0 HA LYS A 92 5.007 8.220 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.337 10.407 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.785 10.655 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.559 9.480 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.104 9.583 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.254 12.045 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.777 11.993 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.576 10.797 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.068 11.064 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.448 12.756 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.461 13.450 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.921 13.191 -4.810 1.00 0.00 H new ATOM 791 N GLY A 93 6.556 8.796 0.509 1.00 0.00 N ATOM 792 CA GLY A 93 7.547 8.759 1.578 1.00 0.00 C ATOM 793 C GLY A 93 8.561 7.654 1.348 1.00 0.00 C ATOM 794 O GLY A 93 8.568 7.021 0.282 1.00 0.00 O ATOM 0 H GLY A 93 6.951 9.022 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.059 9.720 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.048 8.605 2.535 1.00 0.00 H new ATOM 798 N ALA A 94 9.423 7.422 2.347 1.00 0.00 N ATOM 799 CA ALA A 94 10.449 6.374 2.295 1.00 0.00 C ATOM 800 C ALA A 94 9.795 4.987 2.419 1.00 0.00 C ATOM 801 O ALA A 94 9.092 4.705 3.402 1.00 0.00 O ATOM 802 CB ALA A 94 11.498 6.597 3.396 1.00 0.00 C ATOM 0 H ALA A 94 9.428 7.957 3.215 1.00 0.00 H new ATOM 0 HA ALA A 94 10.959 6.423 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.252 5.812 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.974 7.567 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.013 6.570 4.372 1.00 0.00 H new ATOM 808 N VAL A 95 10.013 4.149 1.393 1.00 0.00 N ATOM 809 CA VAL A 95 9.491 2.775 1.330 1.00 0.00 C ATOM 810 C VAL A 95 10.406 1.842 2.154 1.00 0.00 C ATOM 811 O VAL A 95 11.621 1.814 1.906 1.00 0.00 O ATOM 812 CB VAL A 95 9.396 2.283 -0.170 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.912 0.814 -0.266 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.483 3.224 -0.995 1.00 0.00 C ATOM 0 H VAL A 95 10.563 4.410 0.575 1.00 0.00 H new ATOM 0 HA VAL A 95 8.486 2.754 1.752 1.00 0.00 H new ATOM 0 HB VAL A 95 10.400 2.318 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.861 0.516 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.611 0.165 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.924 0.726 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.430 2.869 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.483 3.232 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.893 4.234 -0.980 1.00 0.00 H new ATOM 824 N PRO A 96 9.858 1.075 3.159 1.00 0.00 N ATOM 825 CA PRO A 96 10.673 0.174 4.006 1.00 0.00 C ATOM 826 C PRO A 96 11.224 -1.031 3.211 1.00 0.00 C ATOM 827 O PRO A 96 10.635 -1.454 2.213 1.00 0.00 O ATOM 828 CB PRO A 96 9.689 -0.264 5.126 1.00 0.00 C ATOM 829 CG PRO A 96 8.332 -0.151 4.505 1.00 0.00 C ATOM 830 CD PRO A 96 8.420 1.026 3.545 1.00 0.00 C ATOM 0 HA PRO A 96 11.564 0.663 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.891 -1.284 5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.777 0.376 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.064 -1.067 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.567 0.017 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.779 0.880 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.104 1.954 4.022 1.00 0.00 H new ATOM 838 N ASP A 97 12.368 -1.560 3.666 1.00 0.00 N ATOM 839 CA ASP A 97 13.028 -2.730 3.050 1.00 0.00 C ATOM 840 C ASP A 97 12.230 -4.031 3.297 1.00 0.00 C ATOM 841 O ASP A 97 12.273 -4.959 2.488 1.00 0.00 O ATOM 842 CB ASP A 97 14.479 -2.859 3.585 1.00 0.00 C ATOM 843 CG ASP A 97 15.248 -4.068 3.015 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.511 -4.096 1.791 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.579 -5.004 3.783 1.00 0.00 O ATOM 0 H ASP A 97 12.867 -1.190 4.475 1.00 0.00 H new ATOM 0 HA ASP A 97 13.060 -2.574 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.026 -1.947 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.450 -2.939 4.672 1.00 0.00 H new ATOM 850 N THR A 98 11.467 -4.063 4.404 1.00 0.00 N ATOM 851 CA THR A 98 10.579 -5.197 4.730 1.00 0.00 C ATOM 852 C THR A 98 9.391 -5.275 3.733 1.00 0.00 C ATOM 853 O THR A 98 8.761 -6.333 3.602 1.00 0.00 O ATOM 854 CB THR A 98 10.066 -5.111 6.211 1.00 0.00 C ATOM 855 OG1 THR A 98 9.238 -6.241 6.536 1.00 0.00 O ATOM 856 CG2 THR A 98 9.286 -3.818 6.483 1.00 0.00 C ATOM 0 H THR A 98 11.447 -3.311 5.093 1.00 0.00 H new ATOM 0 HA THR A 98 11.161 -6.114 4.634 1.00 0.00 H new ATOM 0 HB THR A 98 10.953 -5.114 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.063 -6.252 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.952 -3.806 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.931 -2.959 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.420 -3.770 5.823 1.00 0.00 H new ATOM 864 N PHE A 99 9.099 -4.142 3.038 1.00 0.00 N ATOM 865 CA PHE A 99 8.081 -4.094 1.976 1.00 0.00 C ATOM 866 C PHE A 99 8.588 -4.855 0.748 1.00 0.00 C ATOM 867 O PHE A 99 9.589 -4.474 0.133 1.00 0.00 O ATOM 868 CB PHE A 99 7.701 -2.638 1.594 1.00 0.00 C ATOM 869 CG PHE A 99 6.701 -2.532 0.434 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.353 -2.810 0.630 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.111 -2.156 -0.847 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.451 -2.711 -0.412 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.208 -2.059 -1.886 1.00 0.00 C ATOM 874 CZ PHE A 99 4.878 -2.337 -1.668 1.00 0.00 C ATOM 0 H PHE A 99 9.563 -3.249 3.203 1.00 0.00 H new ATOM 0 HA PHE A 99 7.176 -4.569 2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.279 -2.143 2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.608 -2.096 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.007 -3.107 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.153 -1.937 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.407 -2.928 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.545 -1.765 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.170 -2.262 -2.480 1.00 0.00 H new ATOM 884 N LYS A 100 7.895 -5.940 0.432 1.00 0.00 N ATOM 885 CA LYS A 100 8.189 -6.807 -0.707 1.00 0.00 C ATOM 886 C LYS A 100 6.878 -7.075 -1.474 1.00 0.00 C ATOM 887 O LYS A 100 5.792 -6.887 -0.917 1.00 0.00 O ATOM 888 CB LYS A 100 8.826 -8.132 -0.184 1.00 0.00 C ATOM 889 CG LYS A 100 10.256 -7.966 0.394 1.00 0.00 C ATOM 890 CD LYS A 100 10.768 -9.233 1.112 1.00 0.00 C ATOM 891 CE LYS A 100 10.040 -9.495 2.441 1.00 0.00 C ATOM 892 NZ LYS A 100 10.496 -10.756 3.075 1.00 0.00 N ATOM 0 H LYS A 100 7.090 -6.253 0.974 1.00 0.00 H new ATOM 0 HA LYS A 100 8.897 -6.334 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.181 -8.552 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.858 -8.854 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.941 -7.711 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.264 -7.130 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.640 -10.094 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.837 -9.132 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.213 -8.662 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.966 -9.544 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.984 -10.900 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.308 -11.554 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.517 -10.699 3.266 1.00 0.00 H new ATOM 906 N PRO A 101 6.945 -7.471 -2.777 1.00 0.00 N ATOM 907 CA PRO A 101 5.773 -7.999 -3.499 1.00 0.00 C ATOM 908 C PRO A 101 5.414 -9.402 -2.967 1.00 0.00 C ATOM 909 O PRO A 101 6.312 -10.191 -2.640 1.00 0.00 O ATOM 910 CB PRO A 101 6.225 -8.022 -4.991 1.00 0.00 C ATOM 911 CG PRO A 101 7.523 -7.258 -5.025 1.00 0.00 C ATOM 912 CD PRO A 101 8.138 -7.423 -3.661 1.00 0.00 C ATOM 0 HA PRO A 101 4.871 -7.400 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.361 -9.044 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.478 -7.558 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.184 -7.646 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.350 -6.206 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.732 -8.334 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.797 -6.592 -3.409 1.00 0.00 H new ATOM 920 N GLY A 102 4.111 -9.696 -2.846 1.00 0.00 N ATOM 921 CA GLY A 102 3.643 -11.010 -2.394 1.00 0.00 C ATOM 922 C GLY A 102 3.565 -11.176 -0.873 1.00 0.00 C ATOM 923 O GLY A 102 3.067 -12.202 -0.400 1.00 0.00 O ATOM 0 H GLY A 102 3.362 -9.037 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.655 -11.193 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.308 -11.775 -2.795 1.00 0.00 H new ATOM 927 N VAL A 103 4.052 -10.183 -0.091 1.00 0.00 N ATOM 928 CA VAL A 103 3.939 -10.218 1.391 1.00 0.00 C ATOM 929 C VAL A 103 2.655 -9.461 1.798 1.00 0.00 C ATOM 930 O VAL A 103 2.220 -8.556 1.082 1.00 0.00 O ATOM 931 CB VAL A 103 5.210 -9.602 2.121 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.280 -8.065 1.975 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.277 -10.023 3.617 1.00 0.00 C ATOM 0 H VAL A 103 4.523 -9.355 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 103 3.888 -11.260 1.708 1.00 0.00 H new ATOM 0 HB VAL A 103 6.085 -10.016 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.165 -7.691 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.336 -7.802 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.388 -7.617 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.160 -9.582 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.383 -9.674 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.335 -11.109 3.687 1.00 0.00 H new ATOM 943 N GLU A 104 2.027 -9.858 2.917 1.00 0.00 N ATOM 944 CA GLU A 104 0.848 -9.160 3.455 1.00 0.00 C ATOM 945 C GLU A 104 1.271 -7.790 4.009 1.00 0.00 C ATOM 946 O GLU A 104 2.340 -7.664 4.604 1.00 0.00 O ATOM 947 CB GLU A 104 0.178 -10.000 4.566 1.00 0.00 C ATOM 948 CG GLU A 104 -0.314 -11.396 4.132 1.00 0.00 C ATOM 949 CD GLU A 104 -0.784 -12.236 5.335 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.967 -12.138 5.721 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.044 -12.971 5.924 1.00 0.00 O ATOM 0 H GLU A 104 2.319 -10.664 3.470 1.00 0.00 H new ATOM 0 HA GLU A 104 0.125 -9.018 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.888 -10.121 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.670 -9.440 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.134 -11.288 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.490 -11.920 3.614 1.00 0.00 H new ATOM 958 N VAL A 105 0.446 -6.767 3.754 1.00 0.00 N ATOM 959 CA VAL A 105 0.612 -5.418 4.321 1.00 0.00 C ATOM 960 C VAL A 105 -0.717 -4.887 4.877 1.00 0.00 C ATOM 961 O VAL A 105 -1.812 -5.312 4.477 1.00 0.00 O ATOM 962 CB VAL A 105 1.193 -4.369 3.287 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.669 -4.668 2.936 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.311 -4.262 2.013 1.00 0.00 C ATOM 0 H VAL A 105 -0.365 -6.851 3.142 1.00 0.00 H new ATOM 0 HA VAL A 105 1.339 -5.528 5.125 1.00 0.00 H new ATOM 0 HB VAL A 105 1.169 -3.395 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.031 -3.926 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.274 -4.627 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.744 -5.662 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.745 -3.532 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.262 -5.234 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.694 -3.945 2.292 1.00 0.00 H new ATOM 974 N ILE A 106 -0.579 -3.947 5.814 1.00 0.00 N ATOM 975 CA ILE A 106 -1.658 -3.153 6.389 1.00 0.00 C ATOM 976 C ILE A 106 -1.321 -1.678 6.110 1.00 0.00 C ATOM 977 O ILE A 106 -0.207 -1.224 6.410 1.00 0.00 O ATOM 978 CB ILE A 106 -1.778 -3.381 7.937 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.961 -4.898 8.267 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.920 -2.521 8.544 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.967 -5.231 9.750 1.00 0.00 C ATOM 0 H ILE A 106 0.331 -3.710 6.208 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.611 -3.443 5.946 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.846 -3.055 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.898 -5.240 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.160 -5.459 7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.979 -2.700 9.618 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.716 -1.466 8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.867 -2.793 8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.099 -6.305 9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.021 -4.925 10.196 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.786 -4.702 10.238 1.00 0.00 H new ATOM 993 N ILE A 107 -2.272 -0.954 5.531 1.00 0.00 N ATOM 994 CA ILE A 107 -2.092 0.453 5.128 1.00 0.00 C ATOM 995 C ILE A 107 -3.196 1.314 5.746 1.00 0.00 C ATOM 996 O ILE A 107 -4.330 0.856 5.921 1.00 0.00 O ATOM 997 CB ILE A 107 -2.108 0.598 3.556 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.389 -0.081 2.962 1.00 0.00 C ATOM 999 CG2 ILE A 107 -0.815 0.022 2.923 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.516 -0.018 1.457 1.00 0.00 C ATOM 0 H ILE A 107 -3.200 -1.322 5.322 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.122 0.794 5.490 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.139 1.659 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.400 -1.127 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.267 0.389 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.858 0.137 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.051 0.559 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.728 -1.036 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -4.435 -0.516 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.543 1.024 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.662 -0.516 0.999 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.853 2.556 6.099 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.810 3.544 6.614 1.00 0.00 C ATOM 1014 C GLU A 108 -3.645 4.847 5.845 1.00 0.00 C ATOM 1015 O GLU A 108 -2.578 5.103 5.280 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.615 3.790 8.127 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.792 2.545 9.004 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.747 2.855 10.505 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.639 2.923 11.073 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.822 3.047 11.112 1.00 0.00 O ATOM 0 H GLU A 108 -1.898 2.908 6.036 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.818 3.154 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.616 4.194 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.324 4.551 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.745 2.072 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.010 1.825 8.764 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.718 5.645 5.811 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.710 6.957 5.173 1.00 0.00 C ATOM 1029 C GLY A 109 -6.117 7.478 4.984 1.00 0.00 C ATOM 1030 O GLY A 109 -6.800 7.751 5.971 1.00 0.00 O ATOM 0 H GLY A 109 -5.615 5.395 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.138 7.657 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.210 6.892 4.207 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.556 7.626 3.723 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.939 7.981 3.413 1.00 0.00 C ATOM 1036 C GLY A 110 -8.304 7.644 1.980 1.00 0.00 C ATOM 1037 O GLY A 110 -7.430 7.635 1.096 1.00 0.00 O ATOM 0 H GLY A 110 -5.964 7.503 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.610 7.454 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.087 9.047 3.584 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.592 7.348 1.750 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.131 7.050 0.415 1.00 0.00 C ATOM 1043 C LEU A 111 -11.349 7.937 0.135 1.00 0.00 C ATOM 1044 O LEU A 111 -12.215 8.127 1.004 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.525 5.545 0.299 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.101 5.068 -1.080 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.122 5.377 -2.234 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.468 3.565 -1.042 1.00 0.00 C ATOM 0 H LEU A 111 -10.293 7.308 2.490 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.358 7.258 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.643 4.945 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.265 5.327 1.070 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.017 5.628 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.550 5.034 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.947 6.452 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.177 4.863 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.865 3.263 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.578 2.979 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.221 3.394 -0.273 1.00 0.00 H new ATOM 1060 N ALA A 112 -11.386 8.478 -1.086 1.00 0.00 N ATOM 1061 CA ALA A 112 -12.553 9.164 -1.630 1.00 0.00 C ATOM 1062 C ALA A 112 -13.420 8.094 -2.336 1.00 0.00 C ATOM 1063 O ALA A 112 -12.865 7.283 -3.088 1.00 0.00 O ATOM 1064 CB ALA A 112 -12.121 10.281 -2.598 1.00 0.00 C ATOM 0 H ALA A 112 -10.595 8.450 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.129 9.647 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.005 10.781 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.502 11.004 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.550 9.849 -3.420 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.775 8.049 -2.096 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.671 7.022 -2.706 1.00 0.00 C ATOM 1072 C PRO A 113 -15.677 7.041 -4.261 1.00 0.00 C ATOM 1073 O PRO A 113 -16.060 6.045 -4.893 1.00 0.00 O ATOM 1074 CB PRO A 113 -17.074 7.361 -2.117 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.963 8.780 -1.645 1.00 0.00 C ATOM 1076 CD PRO A 113 -15.535 8.951 -1.184 1.00 0.00 C ATOM 0 HA PRO A 113 -15.336 6.012 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.855 7.255 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.330 6.691 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.201 9.478 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.662 8.977 -0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.204 9.986 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.412 8.665 -0.139 1.00 0.00 H new ATOM 1084 N GLY A 114 -15.244 8.165 -4.860 1.00 0.00 N ATOM 1085 CA GLY A 114 -15.160 8.309 -6.321 1.00 0.00 C ATOM 1086 C GLY A 114 -13.765 8.034 -6.889 1.00 0.00 C ATOM 1087 O GLY A 114 -13.598 7.995 -8.106 1.00 0.00 O ATOM 0 H GLY A 114 -14.944 8.994 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.872 7.627 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.461 9.320 -6.595 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.755 7.868 -6.015 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.354 7.595 -6.423 1.00 0.00 C ATOM 1093 C GLU A 115 -11.044 6.092 -6.273 1.00 0.00 C ATOM 1094 O GLU A 115 -11.451 5.469 -5.289 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.373 8.450 -5.572 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.874 8.253 -5.881 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.493 8.478 -7.361 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.406 9.646 -7.792 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.250 7.484 -8.085 1.00 0.00 O ATOM 0 H GLU A 115 -12.882 7.918 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.227 7.869 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.619 9.502 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.541 8.223 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.295 8.937 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.586 7.242 -5.594 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.306 5.536 -7.249 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.950 4.103 -7.301 1.00 0.00 C ATOM 1108 C ASP A 116 -8.684 3.799 -6.497 1.00 0.00 C ATOM 1109 O ASP A 116 -8.449 2.638 -6.146 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.737 3.650 -8.766 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.004 3.766 -9.621 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.835 2.832 -9.607 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -11.177 4.795 -10.310 1.00 0.00 O ATOM 0 H ASP A 116 -9.935 6.072 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.781 3.554 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.947 4.252 -9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.394 2.615 -8.774 1.00 0.00 H new ATOM 1118 N THR A 117 -7.822 4.815 -6.275 1.00 0.00 N ATOM 1119 CA THR A 117 -6.605 4.638 -5.459 1.00 0.00 C ATOM 1120 C THR A 117 -6.827 5.162 -4.025 1.00 0.00 C ATOM 1121 O THR A 117 -7.276 6.289 -3.806 1.00 0.00 O ATOM 1122 CB THR A 117 -5.318 5.288 -6.107 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.134 4.922 -5.363 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.391 6.819 -6.217 1.00 0.00 C ATOM 0 H THR A 117 -7.946 5.757 -6.646 1.00 0.00 H new ATOM 0 HA THR A 117 -6.415 3.565 -5.418 1.00 0.00 H new ATOM 0 HB THR A 117 -5.267 4.893 -7.122 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.336 5.194 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.474 7.195 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.243 7.099 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.507 7.250 -5.223 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.546 4.289 -3.065 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.467 4.611 -1.647 1.00 0.00 C ATOM 1134 C PHE A 118 -5.155 5.361 -1.385 1.00 0.00 C ATOM 1135 O PHE A 118 -4.099 4.915 -1.815 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.508 3.291 -0.835 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.275 3.453 0.664 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -7.314 3.832 1.501 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.019 3.235 1.231 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -7.113 3.974 2.849 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -4.822 3.381 2.583 1.00 0.00 C ATOM 1142 CZ PHE A 118 -5.870 3.753 3.388 1.00 0.00 C ATOM 0 H PHE A 118 -6.361 3.305 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.304 5.241 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.477 2.817 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.754 2.612 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.293 4.017 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.191 2.948 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -7.934 4.260 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -3.846 3.204 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.716 3.872 4.450 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.232 6.488 -0.680 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.051 7.278 -0.322 1.00 0.00 C ATOM 1154 C LYS A 119 -3.491 6.752 1.012 1.00 0.00 C ATOM 1155 O LYS A 119 -4.131 6.924 2.055 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.430 8.774 -0.209 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.247 9.707 0.136 1.00 0.00 C ATOM 1158 CD LYS A 119 -3.695 11.168 0.353 1.00 0.00 C ATOM 1159 CE LYS A 119 -2.527 12.117 0.666 1.00 0.00 C ATOM 1160 NZ LYS A 119 -1.778 11.723 1.886 1.00 0.00 N ATOM 0 H LYS A 119 -6.111 6.880 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.288 7.183 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.869 9.098 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.199 8.885 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.752 9.344 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.512 9.671 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.212 11.520 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.414 11.204 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.844 12.138 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.911 13.129 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.068 12.450 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.439 11.629 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.302 10.813 1.722 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.337 6.067 0.965 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.677 5.527 2.162 1.00 0.00 C ATOM 1176 C ALA A 120 -0.738 6.584 2.771 1.00 0.00 C ATOM 1177 O ALA A 120 0.244 6.995 2.135 1.00 0.00 O ATOM 1178 CB ALA A 120 -0.907 4.238 1.816 1.00 0.00 C ATOM 0 H ALA A 120 -1.837 5.873 0.097 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.437 5.277 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.424 3.851 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.601 3.493 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.150 4.457 1.063 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.088 7.054 3.985 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.203 7.886 4.821 1.00 0.00 C ATOM 1186 C ARG A 121 0.908 7.006 5.428 1.00 0.00 C ATOM 1187 O ARG A 121 2.024 7.477 5.674 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.010 8.596 5.958 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.637 7.642 7.011 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.385 8.356 8.147 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.471 9.092 9.035 1.00 0.00 N ATOM 1192 CZ ARG A 121 -1.803 9.598 10.231 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.055 9.551 10.677 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -0.879 10.191 10.963 1.00 0.00 N ATOM 0 H ARG A 121 -1.995 6.866 4.413 1.00 0.00 H new ATOM 0 HA ARG A 121 0.245 8.657 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.349 9.295 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.806 9.186 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.327 6.966 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.847 7.027 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.113 9.048 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.944 7.623 8.729 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.512 9.227 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.784 9.124 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.286 9.942 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.078 10.261 10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.122 10.579 11.874 1.00 0.00 H new ATOM 1208 N THR A 122 0.582 5.721 5.668 1.00 0.00 N ATOM 1209 CA THR A 122 1.484 4.754 6.304 1.00 0.00 C ATOM 1210 C THR A 122 1.480 3.439 5.512 1.00 0.00 C ATOM 1211 O THR A 122 0.437 3.009 5.003 1.00 0.00 O ATOM 1212 CB THR A 122 1.087 4.480 7.800 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.321 4.204 7.888 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.443 5.662 8.720 1.00 0.00 C ATOM 0 H THR A 122 -0.325 5.326 5.421 1.00 0.00 H new ATOM 0 HA THR A 122 2.486 5.183 6.301 1.00 0.00 H new ATOM 0 HB THR A 122 1.658 3.615 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.563 4.032 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.150 5.427 9.743 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.517 5.842 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.914 6.555 8.387 1.00 0.00 H new ATOM 1222 N LEU A 123 2.667 2.833 5.403 1.00 0.00 N ATOM 1223 CA LEU A 123 2.875 1.531 4.768 1.00 0.00 C ATOM 1224 C LEU A 123 3.573 0.625 5.778 1.00 0.00 C ATOM 1225 O LEU A 123 4.744 0.839 6.111 1.00 0.00 O ATOM 1226 CB LEU A 123 3.741 1.684 3.492 1.00 0.00 C ATOM 1227 CG LEU A 123 4.085 0.375 2.723 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.819 -0.292 2.145 1.00 0.00 C ATOM 1229 CD2 LEU A 123 5.147 0.650 1.643 1.00 0.00 C ATOM 0 H LEU A 123 3.528 3.245 5.763 1.00 0.00 H new ATOM 0 HA LEU A 123 1.919 1.100 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.223 2.356 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.675 2.171 3.771 1.00 0.00 H new ATOM 0 HG LEU A 123 4.511 -0.338 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.097 -1.203 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.135 -0.539 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.329 0.394 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.376 -0.275 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.765 1.387 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.053 1.034 2.113 1.00 0.00 H new ATOM 1241 N MET A 124 2.840 -0.365 6.278 1.00 0.00 N ATOM 1242 CA MET A 124 3.335 -1.321 7.277 1.00 0.00 C ATOM 1243 C MET A 124 3.140 -2.739 6.739 1.00 0.00 C ATOM 1244 O MET A 124 2.122 -3.022 6.131 1.00 0.00 O ATOM 1245 CB MET A 124 2.558 -1.124 8.611 1.00 0.00 C ATOM 1246 CG MET A 124 2.960 -2.074 9.750 1.00 0.00 C ATOM 1247 SD MET A 124 2.004 -1.797 11.270 1.00 0.00 S ATOM 1248 CE MET A 124 0.326 -2.120 10.713 1.00 0.00 C ATOM 0 H MET A 124 1.873 -0.533 6.001 1.00 0.00 H new ATOM 0 HA MET A 124 4.395 -1.156 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.702 -0.097 8.948 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.493 -1.249 8.414 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.823 -3.105 9.423 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.021 -1.947 9.965 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.355 -2.074 11.563 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.037 -1.371 9.976 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.277 -3.111 10.262 1.00 0.00 H new ATOM 1258 N THR A 125 4.131 -3.610 6.939 1.00 0.00 N ATOM 1259 CA THR A 125 4.050 -5.026 6.534 1.00 0.00 C ATOM 1260 C THR A 125 3.458 -5.894 7.658 1.00 0.00 C ATOM 1261 O THR A 125 3.277 -5.429 8.786 1.00 0.00 O ATOM 1262 CB THR A 125 5.463 -5.554 6.129 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.385 -5.377 7.223 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.993 -4.823 4.887 1.00 0.00 C ATOM 0 H THR A 125 5.014 -3.360 7.385 1.00 0.00 H new ATOM 0 HA THR A 125 3.386 -5.093 5.672 1.00 0.00 H new ATOM 0 HB THR A 125 5.372 -6.614 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.968 -6.162 7.289 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.978 -5.212 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.310 -4.982 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.068 -3.756 5.097 1.00 0.00 H new ATOM 1272 N LYS A 126 3.131 -7.143 7.316 1.00 0.00 N ATOM 1273 CA LYS A 126 2.673 -8.166 8.265 1.00 0.00 C ATOM 1274 C LYS A 126 3.776 -8.457 9.298 1.00 0.00 C ATOM 1275 O LYS A 126 3.599 -8.244 10.504 1.00 0.00 O ATOM 1276 CB LYS A 126 2.324 -9.445 7.467 1.00 0.00 C ATOM 1277 CG LYS A 126 1.715 -10.602 8.276 1.00 0.00 C ATOM 1278 CD LYS A 126 0.328 -10.260 8.860 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.314 -11.456 9.578 1.00 0.00 C ATOM 1280 NZ LYS A 126 -0.602 -12.572 8.643 1.00 0.00 N ATOM 0 H LYS A 126 3.177 -7.480 6.354 1.00 0.00 H new ATOM 0 HA LYS A 126 1.792 -7.816 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.625 -9.175 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.231 -9.805 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.628 -11.480 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.391 -10.866 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.426 -9.429 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.329 -9.926 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.352 -11.806 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.239 -11.137 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.628 -12.640 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.127 -12.395 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.253 -13.464 9.049 1.00 0.00 H new