USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HD1:sc= -0.257 K(o=-2,f=-0.58) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -110:sc= -0.255 (180deg=0.155) USER MOD Set 1.3: A 33 TYR OH : rot 180:sc= -1.48! USER MOD Single : A 19 GLN : amide:sc= -0.0869 K(o=-0.087,f=-0.91) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 37 MET CE :methyl -165:sc= -1.32 (180deg=-1.63) USER MOD Single : A 39 GLN : amide:sc= -0.795 K(o=-0.8,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc=-0.00373 (180deg=-0.149) USER MOD Single : A 44 ASN : amide:sc= 0.0439 X(o=0.044,f=-0.16) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 49 ASN : amide:sc= -0.672 K(o=-0.67,f=-5.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0125) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 3.017 3.620 0.034 1.00 0.00 N ATOM 182 CA ARG A 15 3.307 2.202 0.214 1.00 0.00 C ATOM 183 C ARG A 15 3.793 1.922 1.633 1.00 0.00 C ATOM 184 O ARG A 15 4.624 2.653 2.172 1.00 0.00 O ATOM 185 CB ARG A 15 4.359 1.743 -0.797 1.00 0.00 C ATOM 186 CG ARG A 15 3.768 1.216 -2.095 1.00 0.00 C ATOM 187 CD ARG A 15 4.727 1.401 -3.260 1.00 0.00 C ATOM 188 NE ARG A 15 4.915 2.810 -3.595 1.00 0.00 N ATOM 189 CZ ARG A 15 4.065 3.507 -4.341 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.975 2.929 -4.827 1.00 0.00 N ATOM 191 NH2 ARG A 15 4.305 4.786 -4.603 1.00 0.00 N ATOM 0 HA ARG A 15 2.385 1.644 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.022 2.578 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.971 0.963 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.529 0.158 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.833 1.734 -2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.690 0.956 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.346 0.869 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 15 5.744 3.285 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.787 1.946 -4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.324 3.467 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.143 5.234 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.652 5.321 -5.176 1.00 0.00 H new ATOM 205 N LEU A 16 3.268 0.859 2.233 1.00 0.00 N ATOM 206 CA LEU A 16 3.648 0.481 3.590 1.00 0.00 C ATOM 207 C LEU A 16 4.458 -0.811 3.589 1.00 0.00 C ATOM 208 O LEU A 16 4.055 -1.807 2.989 1.00 0.00 O ATOM 209 CB LEU A 16 2.402 0.315 4.461 1.00 0.00 C ATOM 210 CG LEU A 16 2.588 -0.483 5.752 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.574 0.216 6.675 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.251 -0.685 6.452 1.00 0.00 C ATOM 0 H LEU A 16 2.578 0.244 1.801 1.00 0.00 H new ATOM 0 HA LEU A 16 4.269 1.276 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.030 1.306 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.629 -0.170 3.866 1.00 0.00 H new ATOM 0 HG LEU A 16 2.993 -1.462 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.693 -0.367 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.538 0.308 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.198 1.208 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.403 -1.255 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.817 0.285 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.574 -1.230 5.794 1.00 0.00 H new ATOM 224 N GLU A 17 5.601 -0.787 4.267 1.00 0.00 N ATOM 225 CA GLU A 17 6.467 -1.958 4.345 1.00 0.00 C ATOM 226 C GLU A 17 5.876 -3.011 5.278 1.00 0.00 C ATOM 227 O GLU A 17 5.762 -2.793 6.485 1.00 0.00 O ATOM 228 CB GLU A 17 7.862 -1.557 4.829 1.00 0.00 C ATOM 229 CG GLU A 17 8.968 -2.466 4.320 1.00 0.00 C ATOM 230 CD GLU A 17 10.349 -1.987 4.723 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.539 -0.759 4.841 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.239 -2.840 4.920 1.00 0.00 O ATOM 0 H GLU A 17 5.949 0.030 4.770 1.00 0.00 H new ATOM 0 HA GLU A 17 6.546 -2.386 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.068 -0.535 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.874 -1.560 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.811 -3.474 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.912 -2.527 3.233 1.00 0.00 H new ATOM 239 N HIS A 18 5.500 -4.152 4.710 1.00 0.00 N ATOM 240 CA HIS A 18 4.920 -5.240 5.490 1.00 0.00 C ATOM 241 C HIS A 18 5.866 -6.436 5.543 1.00 0.00 C ATOM 242 O HIS A 18 6.182 -7.033 4.514 1.00 0.00 O ATOM 243 CB HIS A 18 3.577 -5.663 4.895 1.00 0.00 C ATOM 244 CG HIS A 18 2.857 -6.691 5.712 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.971 -6.369 6.719 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.894 -8.044 5.665 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.497 -7.478 7.257 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.040 -8.508 6.635 1.00 0.00 N ATOM 0 H HIS A 18 5.586 -4.348 3.713 1.00 0.00 H new ATOM 0 HA HIS A 18 4.761 -4.880 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.942 -4.783 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.741 -6.058 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.485 -8.646 4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.786 -7.533 8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.855 -9.490 6.842 1.00 0.00 H new ATOM 257 N GLN A 19 6.313 -6.778 6.747 1.00 0.00 N ATOM 258 CA GLN A 19 7.224 -7.901 6.931 1.00 0.00 C ATOM 259 C GLN A 19 6.548 -9.217 6.561 1.00 0.00 C ATOM 260 O GLN A 19 6.129 -9.979 7.433 1.00 0.00 O ATOM 261 CB GLN A 19 7.713 -7.956 8.380 1.00 0.00 C ATOM 262 CG GLN A 19 8.969 -8.792 8.567 1.00 0.00 C ATOM 263 CD GLN A 19 10.188 -8.167 7.919 1.00 0.00 C ATOM 264 OE1 GLN A 19 10.297 -6.944 7.824 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.115 -9.005 7.470 1.00 0.00 N ATOM 0 H GLN A 19 6.059 -6.294 7.608 1.00 0.00 H new ATOM 0 HA GLN A 19 8.079 -7.754 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.907 -6.941 8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.920 -8.362 9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.157 -8.925 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.807 -9.784 8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.984 -10.012 7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.958 -8.642 7.026 1.00 0.00 H new ATOM 274 N LEU A 20 6.445 -9.478 5.262 1.00 0.00 N ATOM 275 CA LEU A 20 5.819 -10.702 4.775 1.00 0.00 C ATOM 276 C LEU A 20 6.405 -11.927 5.470 1.00 0.00 C ATOM 277 O LEU A 20 7.601 -12.196 5.368 1.00 0.00 O ATOM 278 CB LEU A 20 6.002 -10.824 3.261 1.00 0.00 C ATOM 279 CG LEU A 20 4.893 -11.561 2.509 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.695 -10.649 2.296 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.410 -12.086 1.177 1.00 0.00 C ATOM 0 H LEU A 20 6.787 -8.858 4.528 1.00 0.00 H new ATOM 0 HA LEU A 20 4.754 -10.652 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.092 -9.821 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.946 -11.335 3.069 1.00 0.00 H new ATOM 0 HG LEU A 20 4.574 -12.411 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.916 -11.191 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.310 -10.322 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.999 -9.779 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.608 -12.608 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.757 -11.252 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.236 -12.775 1.353 1.00 0.00 H new ATOM 293 N GLU A 21 5.553 -12.666 6.174 1.00 0.00 N ATOM 294 CA GLU A 21 5.987 -13.863 6.885 1.00 0.00 C ATOM 295 C GLU A 21 5.575 -15.123 6.129 1.00 0.00 C ATOM 296 O GLU A 21 4.653 -15.115 5.314 1.00 0.00 O ATOM 297 CB GLU A 21 5.399 -13.886 8.297 1.00 0.00 C ATOM 298 CG GLU A 21 6.214 -13.098 9.309 1.00 0.00 C ATOM 299 CD GLU A 21 5.838 -13.423 10.741 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.268 -14.483 11.242 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.113 -12.617 11.362 1.00 0.00 O ATOM 0 H GLU A 21 4.559 -12.457 6.267 1.00 0.00 H new ATOM 0 HA GLU A 21 7.075 -13.840 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.386 -13.484 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.321 -14.920 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.273 -13.307 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.072 -12.032 9.133 1.00 0.00 H new ATOM 308 N PRO A 22 6.276 -16.233 6.406 1.00 0.00 N ATOM 309 CA PRO A 22 6.001 -17.522 5.763 1.00 0.00 C ATOM 310 C PRO A 22 4.677 -18.126 6.218 1.00 0.00 C ATOM 311 O PRO A 22 4.628 -18.880 7.189 1.00 0.00 O ATOM 312 CB PRO A 22 7.172 -18.399 6.215 1.00 0.00 C ATOM 313 CG PRO A 22 7.625 -17.795 7.499 1.00 0.00 C ATOM 314 CD PRO A 22 7.388 -16.316 7.367 1.00 0.00 C ATOM 0 HA PRO A 22 5.913 -17.428 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.861 -19.434 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.972 -18.403 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.068 -18.206 8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.679 -18.007 7.680 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.127 -15.864 8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.275 -15.798 7.001 1.00 0.00 H new ATOM 322 N GLY A 23 3.604 -17.790 5.509 1.00 0.00 N ATOM 323 CA GLY A 23 2.294 -18.309 5.855 1.00 0.00 C ATOM 324 C GLY A 23 1.176 -17.354 5.484 1.00 0.00 C ATOM 325 O GLY A 23 0.009 -17.745 5.429 1.00 0.00 O ATOM 0 H GLY A 23 3.619 -17.168 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.138 -19.261 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.257 -18.509 6.926 1.00 0.00 H new ATOM 329 N ASP A 24 1.531 -16.100 5.230 1.00 0.00 N ATOM 330 CA ASP A 24 0.549 -15.086 4.863 1.00 0.00 C ATOM 331 C ASP A 24 -0.015 -15.354 3.471 1.00 0.00 C ATOM 332 O ASP A 24 0.602 -16.048 2.662 1.00 0.00 O ATOM 333 CB ASP A 24 1.179 -13.694 4.913 1.00 0.00 C ATOM 334 CG ASP A 24 1.064 -13.054 6.283 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.653 -13.597 7.242 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.387 -12.012 6.396 1.00 0.00 O ATOM 0 H ASP A 24 2.492 -15.761 5.271 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.270 -15.131 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.231 -13.764 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.697 -13.054 4.175 1.00 0.00 H new ATOM 341 N THR A 25 -1.192 -14.801 3.198 1.00 0.00 N ATOM 342 CA THR A 25 -1.840 -14.981 1.905 1.00 0.00 C ATOM 343 C THR A 25 -2.322 -13.650 1.341 1.00 0.00 C ATOM 344 O THR A 25 -2.754 -12.768 2.084 1.00 0.00 O ATOM 345 CB THR A 25 -3.037 -15.946 2.007 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.991 -15.446 2.950 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.579 -17.334 2.429 1.00 0.00 C ATOM 0 H THR A 25 -1.717 -14.224 3.856 1.00 0.00 H new ATOM 0 HA THR A 25 -1.094 -15.407 1.234 1.00 0.00 H new ATOM 0 HB THR A 25 -3.502 -16.017 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.749 -16.064 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.441 -17.998 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.876 -17.724 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.091 -17.276 3.402 1.00 0.00 H new ATOM 355 N LEU A 26 -2.245 -13.509 0.022 1.00 0.00 N ATOM 356 CA LEU A 26 -2.675 -12.284 -0.643 1.00 0.00 C ATOM 357 C LEU A 26 -4.046 -11.843 -0.140 1.00 0.00 C ATOM 358 O LEU A 26 -4.255 -10.671 0.172 1.00 0.00 O ATOM 359 CB LEU A 26 -2.718 -12.491 -2.158 1.00 0.00 C ATOM 360 CG LEU A 26 -1.365 -12.519 -2.871 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.455 -13.328 -4.155 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.887 -11.104 -3.162 1.00 0.00 C ATOM 0 H LEU A 26 -1.889 -14.228 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.954 -11.501 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.233 -13.430 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.321 -11.695 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.639 -12.999 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.483 -13.337 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.752 -14.350 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.194 -12.878 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.077 -11.143 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.613 -10.599 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.782 -10.556 -2.226 1.00 0.00 H new ATOM 374 N ALA A 27 -4.974 -12.790 -0.062 1.00 0.00 N ATOM 375 CA ALA A 27 -6.324 -12.500 0.408 1.00 0.00 C ATOM 376 C ALA A 27 -6.297 -11.858 1.791 1.00 0.00 C ATOM 377 O ALA A 27 -7.138 -11.021 2.114 1.00 0.00 O ATOM 378 CB ALA A 27 -7.159 -13.771 0.430 1.00 0.00 C ATOM 0 H ALA A 27 -4.817 -13.765 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.779 -11.791 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.164 -13.540 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.214 -14.188 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.698 -14.498 1.099 1.00 0.00 H new ATOM 384 N GLY A 28 -5.325 -12.258 2.606 1.00 0.00 N ATOM 385 CA GLY A 28 -5.208 -11.712 3.945 1.00 0.00 C ATOM 386 C GLY A 28 -4.881 -10.232 3.941 1.00 0.00 C ATOM 387 O GLY A 28 -5.635 -9.420 4.479 1.00 0.00 O ATOM 0 H GLY A 28 -4.617 -12.950 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.142 -11.873 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.431 -12.251 4.487 1.00 0.00 H new ATOM 391 N LEU A 29 -3.753 -9.879 3.335 1.00 0.00 N ATOM 392 CA LEU A 29 -3.325 -8.486 3.265 1.00 0.00 C ATOM 393 C LEU A 29 -4.375 -7.629 2.565 1.00 0.00 C ATOM 394 O LEU A 29 -4.712 -6.541 3.030 1.00 0.00 O ATOM 395 CB LEU A 29 -1.989 -8.379 2.527 1.00 0.00 C ATOM 396 CG LEU A 29 -0.875 -9.304 3.019 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.296 -9.291 2.049 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.420 -8.897 4.413 1.00 0.00 C ATOM 0 H LEU A 29 -3.118 -10.538 2.885 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.201 -8.118 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.163 -8.583 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.638 -7.350 2.600 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.268 -10.320 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.079 -9.955 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.039 -9.631 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.689 -8.278 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.373 -9.566 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.045 -7.874 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.262 -8.959 5.103 1.00 0.00 H new ATOM 410 N ALA A 30 -4.890 -8.129 1.447 1.00 0.00 N ATOM 411 CA ALA A 30 -5.905 -7.411 0.686 1.00 0.00 C ATOM 412 C ALA A 30 -6.946 -6.788 1.610 1.00 0.00 C ATOM 413 O ALA A 30 -7.111 -5.568 1.643 1.00 0.00 O ATOM 414 CB ALA A 30 -6.574 -8.344 -0.313 1.00 0.00 C ATOM 0 H ALA A 30 -4.621 -9.028 1.048 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.413 -6.605 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.330 -7.795 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.826 -8.737 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.046 -9.169 0.220 1.00 0.00 H new ATOM 420 N LEU A 31 -7.646 -7.632 2.359 1.00 0.00 N ATOM 421 CA LEU A 31 -8.672 -7.164 3.284 1.00 0.00 C ATOM 422 C LEU A 31 -8.044 -6.464 4.485 1.00 0.00 C ATOM 423 O LEU A 31 -8.476 -5.381 4.881 1.00 0.00 O ATOM 424 CB LEU A 31 -9.534 -8.337 3.756 1.00 0.00 C ATOM 425 CG LEU A 31 -10.083 -9.251 2.659 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.257 -10.668 3.183 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.402 -8.711 2.126 1.00 0.00 C ATOM 0 H LEU A 31 -7.522 -8.644 2.344 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.302 -6.447 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.943 -8.942 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.375 -7.939 4.324 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.365 -9.275 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.648 -11.304 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.293 -11.054 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.954 -10.663 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.778 -9.374 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.128 -8.657 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.246 -7.715 1.712 1.00 0.00 H new ATOM 439 N LYS A 32 -7.022 -7.089 5.059 1.00 0.00 N ATOM 440 CA LYS A 32 -6.331 -6.525 6.213 1.00 0.00 C ATOM 441 C LYS A 32 -6.286 -5.002 6.130 1.00 0.00 C ATOM 442 O LYS A 32 -6.430 -4.312 7.139 1.00 0.00 O ATOM 443 CB LYS A 32 -4.909 -7.083 6.304 1.00 0.00 C ATOM 444 CG LYS A 32 -4.232 -6.809 7.636 1.00 0.00 C ATOM 445 CD LYS A 32 -2.722 -6.729 7.489 1.00 0.00 C ATOM 446 CE LYS A 32 -2.101 -5.864 8.575 1.00 0.00 C ATOM 447 NZ LYS A 32 -0.697 -5.489 8.250 1.00 0.00 N ATOM 0 H LYS A 32 -6.654 -7.986 4.744 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.884 -6.806 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.939 -8.160 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.307 -6.652 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.608 -5.874 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.488 -7.597 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.297 -7.732 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.472 -6.321 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.697 -4.961 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.123 -6.400 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.047 -5.987 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.485 -5.756 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.577 -4.462 8.364 1.00 0.00 H new ATOM 461 N TYR A 33 -6.087 -4.486 4.922 1.00 0.00 N ATOM 462 CA TYR A 33 -6.022 -3.045 4.708 1.00 0.00 C ATOM 463 C TYR A 33 -7.324 -2.525 4.107 1.00 0.00 C ATOM 464 O TYR A 33 -8.070 -1.791 4.753 1.00 0.00 O ATOM 465 CB TYR A 33 -4.849 -2.697 3.791 1.00 0.00 C ATOM 466 CG TYR A 33 -3.497 -2.859 4.448 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.967 -1.855 5.248 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.750 -4.017 4.269 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.732 -1.998 5.850 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.515 -4.170 4.869 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.010 -3.158 5.658 1.00 0.00 C ATOM 472 OH TYR A 33 0.220 -3.306 6.256 1.00 0.00 O ATOM 0 H TYR A 33 -5.968 -5.044 4.076 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.872 -2.566 5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.891 -3.331 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.957 -1.667 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.530 -0.947 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.142 -4.811 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.334 -1.206 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.948 -5.077 4.721 1.00 0.00 H new ATOM 0 HH TYR A 33 0.595 -4.180 6.020 1.00 0.00 H new ATOM 482 N GLY A 34 -7.590 -2.912 2.863 1.00 0.00 N ATOM 483 CA GLY A 34 -8.802 -2.476 2.194 1.00 0.00 C ATOM 484 C GLY A 34 -8.647 -2.427 0.687 1.00 0.00 C ATOM 485 O GLY A 34 -9.214 -1.557 0.025 1.00 0.00 O ATOM 0 H GLY A 34 -6.988 -3.519 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.618 -3.152 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.080 -1.488 2.560 1.00 0.00 H new ATOM 489 N VAL A 35 -7.876 -3.363 0.142 1.00 0.00 N ATOM 490 CA VAL A 35 -7.646 -3.422 -1.297 1.00 0.00 C ATOM 491 C VAL A 35 -7.801 -4.846 -1.819 1.00 0.00 C ATOM 492 O VAL A 35 -8.096 -5.770 -1.060 1.00 0.00 O ATOM 493 CB VAL A 35 -6.244 -2.902 -1.664 1.00 0.00 C ATOM 494 CG1 VAL A 35 -6.060 -1.473 -1.176 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.171 -3.813 -1.088 1.00 0.00 C ATOM 0 H VAL A 35 -7.400 -4.091 0.675 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.395 -2.783 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.147 -2.905 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.063 -1.122 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.808 -0.831 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.177 -1.441 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.186 -3.431 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.264 -3.844 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.292 -4.818 -1.491 1.00 0.00 H new ATOM 505 N THR A 36 -7.599 -5.018 -3.122 1.00 0.00 N ATOM 506 CA THR A 36 -7.716 -6.330 -3.747 1.00 0.00 C ATOM 507 C THR A 36 -6.345 -6.956 -3.972 1.00 0.00 C ATOM 508 O THR A 36 -5.353 -6.251 -4.153 1.00 0.00 O ATOM 509 CB THR A 36 -8.457 -6.245 -5.095 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.528 -5.964 -6.148 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.529 -5.166 -5.057 1.00 0.00 C ATOM 0 H THR A 36 -7.354 -4.265 -3.765 1.00 0.00 H new ATOM 0 HA THR A 36 -8.290 -6.956 -3.064 1.00 0.00 H new ATOM 0 HB THR A 36 -8.937 -7.206 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.007 -5.913 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.038 -5.125 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.251 -5.398 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.067 -4.201 -4.850 1.00 0.00 H new ATOM 519 N MET A 37 -6.297 -8.284 -3.960 1.00 0.00 N ATOM 520 CA MET A 37 -5.046 -9.005 -4.165 1.00 0.00 C ATOM 521 C MET A 37 -4.375 -8.572 -5.465 1.00 0.00 C ATOM 522 O MET A 37 -3.155 -8.431 -5.526 1.00 0.00 O ATOM 523 CB MET A 37 -5.300 -10.514 -4.187 1.00 0.00 C ATOM 524 CG MET A 37 -6.048 -11.022 -2.965 1.00 0.00 C ATOM 525 SD MET A 37 -7.055 -12.475 -3.322 1.00 0.00 S ATOM 526 CE MET A 37 -5.834 -13.777 -3.171 1.00 0.00 C ATOM 0 H MET A 37 -7.109 -8.882 -3.811 1.00 0.00 H new ATOM 0 HA MET A 37 -4.379 -8.768 -3.336 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.869 -10.765 -5.082 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.345 -11.034 -4.260 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.332 -11.265 -2.180 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.687 -10.228 -2.579 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.223 -14.693 -3.615 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.921 -13.482 -3.688 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.614 -13.949 -2.117 1.00 0.00 H new ATOM 536 N GLU A 38 -5.182 -8.362 -6.500 1.00 0.00 N ATOM 537 CA GLU A 38 -4.664 -7.946 -7.799 1.00 0.00 C ATOM 538 C GLU A 38 -3.964 -6.594 -7.697 1.00 0.00 C ATOM 539 O GLU A 38 -2.839 -6.430 -8.167 1.00 0.00 O ATOM 540 CB GLU A 38 -5.798 -7.870 -8.824 1.00 0.00 C ATOM 541 CG GLU A 38 -5.314 -7.813 -10.263 1.00 0.00 C ATOM 542 CD GLU A 38 -6.312 -8.408 -11.237 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.379 -9.652 -11.330 1.00 0.00 O ATOM 544 OE2 GLU A 38 -7.024 -7.631 -11.907 1.00 0.00 O ATOM 0 H GLU A 38 -6.195 -8.473 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.937 -8.689 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.446 -8.738 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.404 -6.988 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.119 -6.776 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.368 -8.348 -10.346 1.00 0.00 H new ATOM 551 N GLN A 39 -4.639 -5.629 -7.080 1.00 0.00 N ATOM 552 CA GLN A 39 -4.082 -4.291 -6.918 1.00 0.00 C ATOM 553 C GLN A 39 -2.655 -4.357 -6.383 1.00 0.00 C ATOM 554 O GLN A 39 -1.722 -3.859 -7.014 1.00 0.00 O ATOM 555 CB GLN A 39 -4.956 -3.463 -5.974 1.00 0.00 C ATOM 556 CG GLN A 39 -6.054 -2.689 -6.685 1.00 0.00 C ATOM 557 CD GLN A 39 -6.681 -1.626 -5.804 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.491 -1.619 -4.588 1.00 0.00 O ATOM 559 NE2 GLN A 39 -7.435 -0.720 -6.416 1.00 0.00 N ATOM 0 H GLN A 39 -5.572 -5.749 -6.684 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.062 -3.812 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.409 -4.126 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.324 -2.763 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.642 -2.219 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.826 -3.383 -7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.565 -0.764 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.884 0.020 -5.875 1.00 0.00 H new ATOM 568 N ILE A 40 -2.494 -4.973 -5.217 1.00 0.00 N ATOM 569 CA ILE A 40 -1.181 -5.103 -4.598 1.00 0.00 C ATOM 570 C ILE A 40 -0.155 -5.637 -5.592 1.00 0.00 C ATOM 571 O ILE A 40 0.887 -5.021 -5.818 1.00 0.00 O ATOM 572 CB ILE A 40 -1.225 -6.036 -3.374 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.241 -5.523 -2.351 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.155 -6.152 -2.745 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.470 -6.474 -1.197 1.00 0.00 C ATOM 0 H ILE A 40 -3.256 -5.390 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.885 -4.105 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.537 -7.027 -3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.898 -4.565 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.190 -5.340 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.107 -6.815 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.855 -6.558 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.494 -5.166 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.201 -6.045 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.843 -7.425 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.531 -6.638 -0.669 1.00 0.00 H new ATOM 587 N LYS A 41 -0.458 -6.786 -6.187 1.00 0.00 N ATOM 588 CA LYS A 41 0.435 -7.402 -7.161 1.00 0.00 C ATOM 589 C LYS A 41 0.741 -6.441 -8.305 1.00 0.00 C ATOM 590 O LYS A 41 1.878 -6.000 -8.470 1.00 0.00 O ATOM 591 CB LYS A 41 -0.187 -8.687 -7.713 1.00 0.00 C ATOM 592 CG LYS A 41 -0.485 -9.725 -6.645 1.00 0.00 C ATOM 593 CD LYS A 41 -1.627 -10.639 -7.060 1.00 0.00 C ATOM 594 CE LYS A 41 -1.165 -11.689 -8.059 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.425 -12.798 -7.397 1.00 0.00 N ATOM 0 H LYS A 41 -1.316 -7.309 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 41 1.369 -7.645 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.111 -8.439 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.489 -9.120 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.408 -10.320 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.739 -9.225 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.040 -11.130 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.429 -10.045 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.029 -12.093 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.525 -11.221 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.288 -13.179 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.046 -12.439 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.091 -13.552 -7.134 1.00 0.00 H new ATOM 609 N ARG A 42 -0.282 -6.118 -9.090 1.00 0.00 N ATOM 610 CA ARG A 42 -0.122 -5.208 -10.217 1.00 0.00 C ATOM 611 C ARG A 42 0.686 -3.979 -9.814 1.00 0.00 C ATOM 612 O ARG A 42 1.512 -3.487 -10.582 1.00 0.00 O ATOM 613 CB ARG A 42 -1.490 -4.780 -10.752 1.00 0.00 C ATOM 614 CG ARG A 42 -1.418 -3.675 -11.794 1.00 0.00 C ATOM 615 CD ARG A 42 -2.803 -3.167 -12.163 1.00 0.00 C ATOM 616 NE ARG A 42 -2.742 -2.013 -13.057 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.336 -2.083 -14.320 1.00 0.00 C ATOM 618 NH1 ARG A 42 -1.957 -3.245 -14.834 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.308 -0.989 -15.070 1.00 0.00 N ATOM 0 H ARG A 42 -1.230 -6.473 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 42 0.420 -5.735 -11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.988 -5.646 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.107 -4.443 -9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.817 -2.850 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.916 -4.047 -12.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.367 -3.967 -12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.343 -2.895 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.027 -1.104 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.977 -4.088 -14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.646 -3.296 -15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.598 -0.094 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.996 -1.043 -16.040 1.00 0.00 H new ATOM 633 N ALA A 43 0.441 -3.487 -8.603 1.00 0.00 N ATOM 634 CA ALA A 43 1.147 -2.317 -8.097 1.00 0.00 C ATOM 635 C ALA A 43 2.645 -2.581 -7.994 1.00 0.00 C ATOM 636 O ALA A 43 3.458 -1.677 -8.184 1.00 0.00 O ATOM 637 CB ALA A 43 0.587 -1.908 -6.743 1.00 0.00 C ATOM 0 H ALA A 43 -0.241 -3.881 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 43 0.997 -1.500 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.124 -1.033 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.472 -1.669 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.707 -2.729 -6.036 1.00 0.00 H new ATOM 643 N ASN A 44 3.003 -3.824 -7.691 1.00 0.00 N ATOM 644 CA ASN A 44 4.404 -4.207 -7.562 1.00 0.00 C ATOM 645 C ASN A 44 4.757 -5.321 -8.542 1.00 0.00 C ATOM 646 O ASN A 44 5.720 -6.060 -8.338 1.00 0.00 O ATOM 647 CB ASN A 44 4.701 -4.658 -6.131 1.00 0.00 C ATOM 648 CG ASN A 44 4.244 -3.646 -5.098 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.386 -2.438 -5.292 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.692 -4.135 -3.994 1.00 0.00 N ATOM 0 H ASN A 44 2.342 -4.584 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 44 5.016 -3.336 -7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.208 -5.612 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.772 -4.826 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.365 -3.502 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.595 -5.143 -3.876 1.00 0.00 H new ATOM 657 N ARG A 45 3.970 -5.436 -9.607 1.00 0.00 N ATOM 658 CA ARG A 45 4.199 -6.460 -10.619 1.00 0.00 C ATOM 659 C ARG A 45 4.770 -7.728 -9.990 1.00 0.00 C ATOM 660 O ARG A 45 5.738 -8.300 -10.492 1.00 0.00 O ATOM 661 CB ARG A 45 5.151 -5.939 -11.697 1.00 0.00 C ATOM 662 CG ARG A 45 4.673 -4.659 -12.364 1.00 0.00 C ATOM 663 CD ARG A 45 5.287 -4.488 -13.745 1.00 0.00 C ATOM 664 NE ARG A 45 6.713 -4.182 -13.676 1.00 0.00 N ATOM 665 CZ ARG A 45 7.430 -3.782 -14.720 1.00 0.00 C ATOM 666 NH1 ARG A 45 6.857 -3.642 -15.908 1.00 0.00 N ATOM 667 NH2 ARG A 45 8.724 -3.522 -14.578 1.00 0.00 N ATOM 0 H ARG A 45 3.168 -4.833 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 45 3.240 -6.702 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.130 -5.763 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.281 -6.709 -12.458 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.586 -4.675 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.933 -3.803 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.140 -5.401 -14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.770 -3.688 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 45 7.184 -4.281 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.863 -3.842 -16.022 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.410 -3.335 -16.708 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.169 -3.629 -13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.274 -3.215 -15.381 1.00 0.00 H new ATOM 681 N LEU A 46 4.165 -8.160 -8.889 1.00 0.00 N ATOM 682 CA LEU A 46 4.614 -9.360 -8.191 1.00 0.00 C ATOM 683 C LEU A 46 4.311 -10.611 -9.009 1.00 0.00 C ATOM 684 O LEU A 46 4.863 -11.682 -8.752 1.00 0.00 O ATOM 685 CB LEU A 46 3.942 -9.457 -6.820 1.00 0.00 C ATOM 686 CG LEU A 46 4.668 -8.766 -5.666 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.845 -8.851 -4.390 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.044 -9.380 -5.457 1.00 0.00 C ATOM 0 H LEU A 46 3.363 -7.698 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 46 5.693 -9.290 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.940 -9.034 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.824 -10.511 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 46 4.797 -7.714 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.378 -8.354 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.883 -8.363 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.684 -9.897 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.546 -8.875 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.938 -10.440 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.635 -9.266 -6.366 1.00 0.00 H new ATOM 700 N TYR A 47 3.434 -10.469 -9.996 1.00 0.00 N ATOM 701 CA TYR A 47 3.058 -11.588 -10.851 1.00 0.00 C ATOM 702 C TYR A 47 4.293 -12.259 -11.444 1.00 0.00 C ATOM 703 O TYR A 47 4.928 -11.726 -12.354 1.00 0.00 O ATOM 704 CB TYR A 47 2.134 -11.110 -11.974 1.00 0.00 C ATOM 705 CG TYR A 47 2.799 -10.155 -12.939 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.834 -8.790 -12.682 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.390 -10.616 -14.108 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.439 -7.912 -13.561 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.998 -9.747 -14.993 1.00 0.00 C ATOM 710 CZ TYR A 47 4.020 -8.396 -14.715 1.00 0.00 C ATOM 711 OH TYR A 47 4.624 -7.526 -15.594 1.00 0.00 O ATOM 0 H TYR A 47 2.970 -9.590 -10.224 1.00 0.00 H new ATOM 0 HA TYR A 47 2.528 -12.319 -10.240 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.769 -11.976 -12.526 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.264 -10.622 -11.535 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.380 -8.408 -11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.374 -11.673 -14.329 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.457 -6.854 -13.346 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.453 -10.123 -15.897 1.00 0.00 H new ATOM 0 HH TYR A 47 4.985 -8.028 -16.355 1.00 0.00 H new ATOM 721 N THR A 48 4.627 -13.435 -10.922 1.00 0.00 N ATOM 722 CA THR A 48 5.785 -14.181 -11.397 1.00 0.00 C ATOM 723 C THR A 48 5.448 -15.655 -11.591 1.00 0.00 C ATOM 724 O THR A 48 4.471 -16.156 -11.036 1.00 0.00 O ATOM 725 CB THR A 48 6.970 -14.061 -10.420 1.00 0.00 C ATOM 726 OG1 THR A 48 6.571 -14.483 -9.111 1.00 0.00 O ATOM 727 CG2 THR A 48 7.482 -12.630 -10.364 1.00 0.00 C ATOM 0 H THR A 48 4.111 -13.891 -10.170 1.00 0.00 H new ATOM 0 HA THR A 48 6.069 -13.747 -12.356 1.00 0.00 H new ATOM 0 HB THR A 48 7.774 -14.704 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.563 -15.462 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.319 -12.570 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.813 -12.323 -11.356 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.682 -11.970 -10.028 1.00 0.00 H new ATOM 735 N ASN A 49 6.264 -16.345 -12.382 1.00 0.00 N ATOM 736 CA ASN A 49 6.051 -17.762 -12.649 1.00 0.00 C ATOM 737 C ASN A 49 5.904 -18.545 -11.347 1.00 0.00 C ATOM 738 O ASN A 49 5.096 -19.469 -11.255 1.00 0.00 O ATOM 739 CB ASN A 49 7.213 -18.328 -13.469 1.00 0.00 C ATOM 740 CG ASN A 49 8.556 -17.789 -13.017 1.00 0.00 C ATOM 741 OD1 ASN A 49 8.909 -17.878 -11.841 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.312 -17.225 -13.952 1.00 0.00 N ATOM 0 H ASN A 49 7.078 -15.945 -12.849 1.00 0.00 H new ATOM 0 HA ASN A 49 5.128 -17.864 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.215 -19.415 -13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.063 -18.086 -14.521 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.226 -16.844 -13.707 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.979 -17.173 -14.915 1.00 0.00 H new ATOM 749 N ASP A 50 6.690 -18.168 -10.345 1.00 0.00 N ATOM 750 CA ASP A 50 6.647 -18.832 -9.048 1.00 0.00 C ATOM 751 C ASP A 50 5.908 -17.977 -8.023 1.00 0.00 C ATOM 752 O ASP A 50 5.816 -16.759 -8.168 1.00 0.00 O ATOM 753 CB ASP A 50 8.065 -19.129 -8.555 1.00 0.00 C ATOM 754 CG ASP A 50 8.609 -20.432 -9.107 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.941 -21.474 -8.935 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.701 -20.410 -9.711 1.00 0.00 O ATOM 0 H ASP A 50 7.365 -17.406 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 50 6.108 -19.772 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.726 -18.312 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.067 -19.170 -7.466 1.00 0.00 H new ATOM 761 N SER A 51 5.382 -18.625 -6.989 1.00 0.00 N ATOM 762 CA SER A 51 4.646 -17.925 -5.943 1.00 0.00 C ATOM 763 C SER A 51 5.326 -16.605 -5.591 1.00 0.00 C ATOM 764 O SER A 51 6.498 -16.396 -5.903 1.00 0.00 O ATOM 765 CB SER A 51 4.533 -18.802 -4.694 1.00 0.00 C ATOM 766 OG SER A 51 3.681 -19.911 -4.925 1.00 0.00 O ATOM 0 H SER A 51 5.452 -19.633 -6.853 1.00 0.00 H new ATOM 0 HA SER A 51 3.646 -17.710 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.522 -19.154 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.148 -18.210 -3.864 1.00 0.00 H new ATOM 0 HG SER A 51 3.627 -20.457 -4.113 1.00 0.00 H new ATOM 772 N ILE A 52 4.581 -15.719 -4.939 1.00 0.00 N ATOM 773 CA ILE A 52 5.111 -14.420 -4.543 1.00 0.00 C ATOM 774 C ILE A 52 6.042 -14.549 -3.342 1.00 0.00 C ATOM 775 O ILE A 52 6.919 -13.711 -3.131 1.00 0.00 O ATOM 776 CB ILE A 52 3.981 -13.432 -4.199 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.136 -13.972 -3.043 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.113 -13.173 -5.421 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.447 -12.890 -2.242 1.00 0.00 C ATOM 0 H ILE A 52 3.609 -15.877 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 52 5.672 -14.035 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 52 4.427 -12.487 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.384 -14.653 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.774 -14.554 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.319 -12.473 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.724 -12.750 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.673 -14.111 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.866 -13.345 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.195 -12.222 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.783 -12.322 -2.893 1.00 0.00 H new ATOM 791 N PHE A 53 5.846 -15.604 -2.559 1.00 0.00 N ATOM 792 CA PHE A 53 6.669 -15.844 -1.379 1.00 0.00 C ATOM 793 C PHE A 53 8.149 -15.667 -1.703 1.00 0.00 C ATOM 794 O PHE A 53 8.970 -15.452 -0.811 1.00 0.00 O ATOM 795 CB PHE A 53 6.419 -17.252 -0.835 1.00 0.00 C ATOM 796 CG PHE A 53 5.132 -17.379 -0.071 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.989 -16.789 1.175 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.065 -18.090 -0.598 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.806 -16.904 1.881 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.880 -18.208 0.103 1.00 0.00 C ATOM 801 CZ PHE A 53 2.750 -17.616 1.344 1.00 0.00 C ATOM 0 H PHE A 53 5.124 -16.307 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 53 6.392 -15.114 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.410 -17.958 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.247 -17.534 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.812 -16.233 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.161 -18.557 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.707 -16.438 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.056 -18.763 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.825 -17.709 1.894 1.00 0.00 H new ATOM 811 N LEU A 54 8.483 -15.761 -2.986 1.00 0.00 N ATOM 812 CA LEU A 54 9.865 -15.612 -3.429 1.00 0.00 C ATOM 813 C LEU A 54 10.538 -14.437 -2.728 1.00 0.00 C ATOM 814 O LEU A 54 11.698 -14.523 -2.323 1.00 0.00 O ATOM 815 CB LEU A 54 9.916 -15.413 -4.945 1.00 0.00 C ATOM 816 CG LEU A 54 9.572 -16.637 -5.795 1.00 0.00 C ATOM 817 CD1 LEU A 54 9.282 -16.227 -7.230 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.703 -17.654 -5.747 1.00 0.00 C ATOM 0 H LEU A 54 7.816 -15.940 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 54 10.404 -16.523 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.230 -14.608 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.918 -15.079 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 54 8.675 -17.100 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.039 -17.111 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.439 -15.537 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.160 -15.739 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.441 -18.518 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.616 -17.201 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.863 -17.972 -4.717 1.00 0.00 H new ATOM 830 N LYS A 55 9.803 -13.339 -2.586 1.00 0.00 N ATOM 831 CA LYS A 55 10.327 -12.146 -1.931 1.00 0.00 C ATOM 832 C LYS A 55 10.297 -12.302 -0.414 1.00 0.00 C ATOM 833 O LYS A 55 9.951 -13.364 0.106 1.00 0.00 O ATOM 834 CB LYS A 55 9.517 -10.915 -2.344 1.00 0.00 C ATOM 835 CG LYS A 55 9.587 -10.612 -3.830 1.00 0.00 C ATOM 836 CD LYS A 55 9.454 -9.123 -4.102 1.00 0.00 C ATOM 837 CE LYS A 55 9.958 -8.763 -5.492 1.00 0.00 C ATOM 838 NZ LYS A 55 10.109 -7.291 -5.663 1.00 0.00 N ATOM 0 H LYS A 55 8.842 -13.251 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 55 11.362 -12.014 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.475 -11.064 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.878 -10.050 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.534 -10.973 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.794 -11.150 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.410 -8.826 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.016 -8.564 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.918 -9.249 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.264 -9.146 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.454 -7.087 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.188 -6.829 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.790 -6.929 -4.966 1.00 0.00 H new ATOM 852 N LYS A 56 10.660 -11.237 0.293 1.00 0.00 N ATOM 853 CA LYS A 56 10.673 -11.254 1.751 1.00 0.00 C ATOM 854 C LYS A 56 9.704 -10.219 2.315 1.00 0.00 C ATOM 855 O LYS A 56 8.975 -10.492 3.269 1.00 0.00 O ATOM 856 CB LYS A 56 12.086 -10.982 2.273 1.00 0.00 C ATOM 857 CG LYS A 56 12.189 -11.003 3.788 1.00 0.00 C ATOM 858 CD LYS A 56 12.394 -12.413 4.314 1.00 0.00 C ATOM 859 CE LYS A 56 12.463 -12.437 5.833 1.00 0.00 C ATOM 860 NZ LYS A 56 13.726 -11.834 6.340 1.00 0.00 N ATOM 0 H LYS A 56 10.949 -10.351 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 56 10.355 -12.243 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.766 -11.727 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.418 -10.010 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.018 -10.371 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.282 -10.581 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.577 -13.051 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.314 -12.827 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.611 -11.895 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.385 -13.466 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.766 -11.930 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.539 -12.323 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.757 -10.826 6.085 1.00 0.00 H new ATOM 874 N THR A 57 9.700 -9.031 1.719 1.00 0.00 N ATOM 875 CA THR A 57 8.821 -7.956 2.161 1.00 0.00 C ATOM 876 C THR A 57 7.994 -7.410 1.003 1.00 0.00 C ATOM 877 O THR A 57 8.499 -7.239 -0.107 1.00 0.00 O ATOM 878 CB THR A 57 9.620 -6.802 2.796 1.00 0.00 C ATOM 879 OG1 THR A 57 10.922 -6.724 2.204 1.00 0.00 O ATOM 880 CG2 THR A 57 9.752 -6.997 4.299 1.00 0.00 C ATOM 0 H THR A 57 10.297 -8.789 0.928 1.00 0.00 H new ATOM 0 HA THR A 57 8.154 -8.382 2.911 1.00 0.00 H new ATOM 0 HB THR A 57 9.081 -5.873 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.423 -5.987 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.320 -6.170 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.760 -7.027 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.270 -7.934 4.500 1.00 0.00 H new ATOM 888 N LEU A 58 6.721 -7.138 1.268 1.00 0.00 N ATOM 889 CA LEU A 58 5.823 -6.610 0.247 1.00 0.00 C ATOM 890 C LEU A 58 5.192 -5.298 0.703 1.00 0.00 C ATOM 891 O LEU A 58 4.763 -5.170 1.850 1.00 0.00 O ATOM 892 CB LEU A 58 4.730 -7.630 -0.076 1.00 0.00 C ATOM 893 CG LEU A 58 5.179 -8.873 -0.847 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.980 -9.588 -1.451 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.179 -8.496 -1.930 1.00 0.00 C ATOM 0 H LEU A 58 6.287 -7.274 2.181 1.00 0.00 H new ATOM 0 HA LEU A 58 6.408 -6.417 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.274 -7.952 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.953 -7.129 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 58 5.668 -9.553 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.318 -10.469 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.299 -9.892 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.462 -8.916 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.488 -9.392 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.716 -7.796 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.051 -8.029 -1.473 1.00 0.00 H new ATOM 907 N TYR A 59 5.136 -4.328 -0.203 1.00 0.00 N ATOM 908 CA TYR A 59 4.557 -3.026 0.106 1.00 0.00 C ATOM 909 C TYR A 59 3.060 -3.013 -0.187 1.00 0.00 C ATOM 910 O TYR A 59 2.593 -3.670 -1.117 1.00 0.00 O ATOM 911 CB TYR A 59 5.256 -1.930 -0.699 1.00 0.00 C ATOM 912 CG TYR A 59 6.699 -2.244 -1.025 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.548 -2.778 -0.064 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.212 -2.007 -2.294 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.867 -3.066 -0.357 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.529 -2.293 -2.596 1.00 0.00 C ATOM 917 CZ TYR A 59 9.353 -2.822 -1.625 1.00 0.00 C ATOM 918 OH TYR A 59 10.666 -3.108 -1.921 1.00 0.00 O ATOM 0 H TYR A 59 5.485 -4.419 -1.157 1.00 0.00 H new ATOM 0 HA TYR A 59 4.702 -2.834 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.709 -1.769 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.214 -0.996 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.171 -2.971 0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.570 -1.592 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.514 -3.480 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.912 -2.103 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 59 10.848 -2.879 -2.856 1.00 0.00 H new ATOM 928 N ILE A 60 2.314 -2.258 0.613 1.00 0.00 N ATOM 929 CA ILE A 60 0.870 -2.156 0.439 1.00 0.00 C ATOM 930 C ILE A 60 0.462 -0.740 0.049 1.00 0.00 C ATOM 931 O ILE A 60 0.717 0.226 0.769 1.00 0.00 O ATOM 932 CB ILE A 60 0.119 -2.561 1.720 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.529 -3.970 2.155 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.385 -2.486 1.499 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.087 -5.051 1.194 1.00 0.00 C ATOM 0 H ILE A 60 2.686 -1.708 1.388 1.00 0.00 H new ATOM 0 HA ILE A 60 0.599 -2.843 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 60 0.385 -1.864 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.613 -4.008 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.107 -4.175 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.902 -2.775 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.663 -1.466 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.668 -3.162 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.412 -6.023 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.000 -5.040 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.530 -4.871 0.215 1.00 0.00 H new ATOM 947 N PRO A 61 -0.190 -0.611 -1.116 1.00 0.00 N ATOM 948 CA PRO A 61 -0.650 0.684 -1.627 1.00 0.00 C ATOM 949 C PRO A 61 -1.802 1.254 -0.807 1.00 0.00 C ATOM 950 O PRO A 61 -2.879 0.661 -0.737 1.00 0.00 O ATOM 951 CB PRO A 61 -1.114 0.359 -3.049 1.00 0.00 C ATOM 952 CG PRO A 61 -1.470 -1.087 -3.011 1.00 0.00 C ATOM 953 CD PRO A 61 -0.528 -1.719 -2.025 1.00 0.00 C ATOM 0 HA PRO A 61 0.132 1.442 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.970 0.970 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.326 0.554 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.507 -1.226 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.366 -1.541 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.999 -2.546 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.358 -2.120 -2.517 1.00 0.00 H new ATOM 961 N ILE A 62 -1.570 2.407 -0.189 1.00 0.00 N ATOM 962 CA ILE A 62 -2.590 3.057 0.624 1.00 0.00 C ATOM 963 C ILE A 62 -3.437 4.009 -0.214 1.00 0.00 C ATOM 964 O ILE A 62 -2.970 5.070 -0.630 1.00 0.00 O ATOM 965 CB ILE A 62 -1.963 3.839 1.793 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.905 2.987 2.497 1.00 0.00 C ATOM 967 CG2 ILE A 62 -3.040 4.275 2.776 1.00 0.00 C ATOM 968 CD1 ILE A 62 -0.092 3.753 3.516 1.00 0.00 C ATOM 0 H ILE A 62 -0.684 2.910 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.225 2.267 1.025 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.478 4.731 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.396 2.149 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.232 2.567 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.582 4.827 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.760 4.915 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.550 3.396 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.638 3.086 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.427 4.575 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.754 4.151 4.285 1.00 0.00 H new