USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 665 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 78 HIS : no HE2:sc= -2.04 K(o=-2.5,f=-3.2) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.47 K(o=-2.5,f=-3.2) USER MOD Set 2.1: A 21 MET CE :methyl -157:sc= -0.66 (180deg=-1.98!) USER MOD Set 2.2: A 57 CYS SG : rot -81:sc= 0.241 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.918 (180deg=-2.61!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.84) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -126:sc= -0.23 (180deg=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -142:sc= 1.17 USER MOD Single : A 62 ASN : amide:sc= -0.882 K(o=-0.88,f=-2.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 71 ASN : amide:sc=-0.00149 X(o=-0.0015,f=-0.24) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.75 F(o=-2.4!,f=-1.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 4.429 -9.108 -15.652 1.00 0.00 N ATOM 172 CA LEU A 16 4.033 -8.755 -14.293 1.00 0.00 C ATOM 173 C LEU A 16 2.521 -8.587 -14.192 1.00 0.00 C ATOM 174 O LEU A 16 1.841 -8.371 -15.196 1.00 0.00 O ATOM 175 CB LEU A 16 4.732 -7.467 -13.855 1.00 0.00 C ATOM 176 CG LEU A 16 6.177 -7.615 -13.377 1.00 0.00 C ATOM 177 CD1 LEU A 16 6.827 -6.251 -13.211 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.229 -8.395 -12.071 1.00 0.00 C ATOM 0 HA LEU A 16 4.334 -9.567 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.717 -6.767 -14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.149 -7.017 -13.052 1.00 0.00 H new ATOM 0 HG LEU A 16 6.734 -8.170 -14.132 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.855 -6.377 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.823 -5.727 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.270 -5.669 -12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.265 -8.491 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.656 -7.867 -11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.803 -9.387 -12.222 1.00 0.00 H new ATOM 190 N VAL A 17 1.999 -8.685 -12.973 1.00 0.00 N ATOM 191 CA VAL A 17 0.567 -8.540 -12.740 1.00 0.00 C ATOM 192 C VAL A 17 0.222 -7.120 -12.306 1.00 0.00 C ATOM 193 O VAL A 17 1.022 -6.446 -11.655 1.00 0.00 O ATOM 194 CB VAL A 17 0.070 -9.528 -11.668 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.303 -9.117 -11.158 1.00 0.00 C ATOM 196 CG2 VAL A 17 0.040 -10.944 -12.223 1.00 0.00 C ATOM 0 H VAL A 17 2.547 -8.864 -12.132 1.00 0.00 H new ATOM 0 HA VAL A 17 0.069 -8.759 -13.684 1.00 0.00 H new ATOM 0 HB VAL A 17 0.764 -9.506 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.638 -9.827 -10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.245 -8.120 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.011 -9.109 -11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.313 -11.629 -11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.632 -10.985 -13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.044 -11.234 -12.534 1.00 0.00 H new ATOM 206 N LEU A 18 -0.974 -6.670 -12.670 1.00 0.00 N ATOM 207 CA LEU A 18 -1.427 -5.329 -12.318 1.00 0.00 C ATOM 208 C LEU A 18 -2.752 -5.382 -11.564 1.00 0.00 C ATOM 209 O LEU A 18 -3.621 -6.196 -11.875 1.00 0.00 O ATOM 210 CB LEU A 18 -1.577 -4.473 -13.577 1.00 0.00 C ATOM 211 CG LEU A 18 -2.385 -3.185 -13.420 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.511 -2.070 -12.867 1.00 0.00 C ATOM 213 CD2 LEU A 18 -2.998 -2.774 -14.751 1.00 0.00 C ATOM 0 H LEU A 18 -1.648 -7.214 -13.209 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.678 -4.878 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.581 -4.212 -13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.046 -5.080 -14.351 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.193 -3.370 -12.712 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.104 -1.161 -12.762 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.121 -2.363 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.681 -1.885 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.570 -1.855 -14.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.206 -2.608 -15.481 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.659 -3.565 -15.107 1.00 0.00 H new ATOM 225 N ILE A 19 -2.899 -4.508 -10.574 1.00 0.00 N ATOM 226 CA ILE A 19 -4.119 -4.454 -9.779 1.00 0.00 C ATOM 227 C ILE A 19 -4.970 -3.247 -10.160 1.00 0.00 C ATOM 228 O ILE A 19 -4.462 -2.135 -10.301 1.00 0.00 O ATOM 229 CB ILE A 19 -3.807 -4.391 -8.272 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.103 -5.673 -7.821 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.084 -4.173 -7.475 1.00 0.00 C ATOM 232 CD1 ILE A 19 -4.051 -6.824 -7.567 1.00 0.00 C ATOM 0 H ILE A 19 -2.189 -3.828 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.673 -5.369 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.140 -3.549 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.381 -5.969 -8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.540 -5.468 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.847 -4.131 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.548 -3.235 -7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.774 -4.996 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.484 -7.699 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.758 -6.547 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.596 -7.056 -8.482 1.00 0.00 H new ATOM 244 N ARG A 20 -6.269 -3.475 -10.325 1.00 0.00 N ATOM 245 CA ARG A 20 -7.192 -2.407 -10.689 1.00 0.00 C ATOM 246 C ARG A 20 -8.444 -2.449 -9.817 1.00 0.00 C ATOM 247 O ARG A 20 -9.106 -3.481 -9.715 1.00 0.00 O ATOM 248 CB ARG A 20 -7.581 -2.522 -12.164 1.00 0.00 C ATOM 249 CG ARG A 20 -6.523 -1.988 -13.116 1.00 0.00 C ATOM 250 CD ARG A 20 -7.138 -1.519 -14.426 1.00 0.00 C ATOM 251 NE ARG A 20 -7.855 -2.592 -15.109 1.00 0.00 N ATOM 252 CZ ARG A 20 -7.255 -3.546 -15.813 1.00 0.00 C ATOM 253 NH1 ARG A 20 -5.934 -3.559 -15.925 1.00 0.00 N ATOM 254 NH2 ARG A 20 -7.976 -4.488 -16.406 1.00 0.00 N ATOM 0 H ARG A 20 -6.706 -4.390 -10.212 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.689 -1.454 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.775 -3.568 -12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.513 -1.981 -12.329 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.992 -1.160 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.786 -2.766 -13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.822 -0.693 -14.230 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.353 -1.135 -15.078 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.873 -2.610 -15.042 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.376 -2.836 -15.470 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.475 -4.292 -16.466 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.993 -4.481 -16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.514 -5.220 -16.946 1.00 0.00 H new ATOM 268 N MET A 21 -8.761 -1.320 -9.192 1.00 0.00 N ATOM 269 CA MET A 21 -9.933 -1.228 -8.329 1.00 0.00 C ATOM 270 C MET A 21 -10.434 0.210 -8.244 1.00 0.00 C ATOM 271 O MET A 21 -9.807 1.129 -8.771 1.00 0.00 O ATOM 272 CB MET A 21 -9.605 -1.751 -6.929 1.00 0.00 C ATOM 273 CG MET A 21 -8.652 -0.856 -6.155 1.00 0.00 C ATOM 274 SD MET A 21 -6.921 -1.267 -6.446 1.00 0.00 S ATOM 275 CE MET A 21 -6.654 -2.516 -5.191 1.00 0.00 C ATOM 0 H MET A 21 -8.223 -0.457 -9.267 1.00 0.00 H new ATOM 0 HA MET A 21 -10.722 -1.843 -8.762 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.531 -1.857 -6.364 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.168 -2.746 -7.015 1.00 0.00 H new ATOM 0 HG2 MET A 21 -8.827 0.183 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.867 -0.939 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.591 -2.577 -4.959 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.207 -2.251 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.001 -3.481 -5.559 1.00 0.00 H new ATOM 285 N LYS A 22 -11.567 0.399 -7.576 1.00 0.00 N ATOM 286 CA LYS A 22 -12.152 1.725 -7.420 1.00 0.00 C ATOM 287 C LYS A 22 -12.388 2.046 -5.948 1.00 0.00 C ATOM 288 O LYS A 22 -12.653 1.164 -5.130 1.00 0.00 O ATOM 289 CB LYS A 22 -13.470 1.818 -8.192 1.00 0.00 C ATOM 290 CG LYS A 22 -14.603 1.029 -7.557 1.00 0.00 C ATOM 291 CD LYS A 22 -15.390 1.878 -6.572 1.00 0.00 C ATOM 292 CE LYS A 22 -16.352 2.814 -7.288 1.00 0.00 C ATOM 293 NZ LYS A 22 -15.712 4.116 -7.624 1.00 0.00 N ATOM 0 H LYS A 22 -12.099 -0.351 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.450 2.454 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.765 2.865 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.312 1.458 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.271 0.659 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.198 0.157 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.947 1.230 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.701 2.461 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.709 2.338 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.224 2.990 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.409 4.881 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.915 4.288 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.364 4.089 -8.604 1.00 0.00 H new ATOM 307 N PRO A 23 -12.293 3.338 -5.600 1.00 0.00 N ATOM 308 CA PRO A 23 -12.495 3.804 -4.225 1.00 0.00 C ATOM 309 C PRO A 23 -13.950 3.691 -3.783 1.00 0.00 C ATOM 310 O PRO A 23 -14.859 4.130 -4.488 1.00 0.00 O ATOM 311 CB PRO A 23 -12.066 5.272 -4.281 1.00 0.00 C ATOM 312 CG PRO A 23 -12.266 5.671 -5.703 1.00 0.00 C ATOM 313 CD PRO A 23 -11.980 4.443 -6.522 1.00 0.00 C ATOM 0 HA PRO A 23 -11.932 3.209 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.666 5.886 -3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.026 5.392 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.284 6.023 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.598 6.487 -5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.598 4.405 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.941 4.411 -6.849 1.00 0.00 H new ATOM 321 N ASP A 24 -14.164 3.102 -2.611 1.00 0.00 N ATOM 322 CA ASP A 24 -15.509 2.933 -2.074 1.00 0.00 C ATOM 323 C ASP A 24 -16.258 4.262 -2.059 1.00 0.00 C ATOM 324 O ASP A 24 -15.743 5.281 -2.517 1.00 0.00 O ATOM 325 CB ASP A 24 -15.448 2.351 -0.661 1.00 0.00 C ATOM 326 CG ASP A 24 -15.298 0.842 -0.662 1.00 0.00 C ATOM 327 OD1 ASP A 24 -15.979 0.179 -1.473 1.00 0.00 O ATOM 328 OD2 ASP A 24 -14.501 0.325 0.147 1.00 0.00 O ATOM 0 H ASP A 24 -13.423 2.734 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.048 2.240 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.610 2.796 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.354 2.623 -0.120 1.00 0.00 H new ATOM 333 N GLU A 25 -17.477 4.241 -1.529 1.00 0.00 N ATOM 334 CA GLU A 25 -18.298 5.445 -1.455 1.00 0.00 C ATOM 335 C GLU A 25 -17.553 6.568 -0.739 1.00 0.00 C ATOM 336 O GLU A 25 -17.322 7.634 -1.308 1.00 0.00 O ATOM 337 CB GLU A 25 -19.614 5.148 -0.733 1.00 0.00 C ATOM 338 CG GLU A 25 -20.691 4.578 -1.640 1.00 0.00 C ATOM 339 CD GLU A 25 -20.638 3.066 -1.730 1.00 0.00 C ATOM 340 OE1 GLU A 25 -20.308 2.421 -0.713 1.00 0.00 O ATOM 341 OE2 GLU A 25 -20.926 2.526 -2.819 1.00 0.00 O ATOM 0 H GLU A 25 -17.918 3.405 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.516 5.769 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.423 4.444 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.984 6.066 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.670 4.882 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.582 5.002 -2.638 1.00 0.00 H new ATOM 348 N ASN A 26 -17.182 6.320 0.513 1.00 0.00 N ATOM 349 CA ASN A 26 -16.465 7.310 1.308 1.00 0.00 C ATOM 350 C ASN A 26 -15.066 7.547 0.748 1.00 0.00 C ATOM 351 O ASN A 26 -14.429 8.556 1.048 1.00 0.00 O ATOM 352 CB ASN A 26 -16.373 6.854 2.766 1.00 0.00 C ATOM 353 CG ASN A 26 -17.698 6.976 3.494 1.00 0.00 C ATOM 354 OD1 ASN A 26 -18.579 6.129 3.348 1.00 0.00 O ATOM 355 ND2 ASN A 26 -17.843 8.034 4.284 1.00 0.00 N ATOM 0 H ASN A 26 -17.366 5.442 0.999 1.00 0.00 H new ATOM 0 HA ASN A 26 -17.019 8.248 1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.037 5.818 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.621 7.450 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.712 8.170 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -17.085 8.711 4.374 1.00 0.00 H new ATOM 362 N GLY A 27 -14.594 6.610 -0.068 1.00 0.00 N ATOM 363 CA GLY A 27 -13.274 6.736 -0.658 1.00 0.00 C ATOM 364 C GLY A 27 -12.203 6.052 0.169 1.00 0.00 C ATOM 365 O GLY A 27 -11.145 6.628 0.426 1.00 0.00 O ATOM 0 H GLY A 27 -15.102 5.766 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.285 6.307 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.027 7.792 -0.766 1.00 0.00 H new ATOM 369 N ARG A 28 -12.476 4.821 0.587 1.00 0.00 N ATOM 370 CA ARG A 28 -11.529 4.059 1.391 1.00 0.00 C ATOM 371 C ARG A 28 -11.351 2.650 0.833 1.00 0.00 C ATOM 372 O ARG A 28 -12.279 2.075 0.263 1.00 0.00 O ATOM 373 CB ARG A 28 -12.002 3.987 2.844 1.00 0.00 C ATOM 374 CG ARG A 28 -13.376 3.357 3.007 1.00 0.00 C ATOM 375 CD ARG A 28 -13.784 3.280 4.470 1.00 0.00 C ATOM 376 NE ARG A 28 -14.445 4.502 4.918 1.00 0.00 N ATOM 377 CZ ARG A 28 -15.190 4.574 6.016 1.00 0.00 C ATOM 378 NH1 ARG A 28 -15.366 3.500 6.774 1.00 0.00 N ATOM 379 NH2 ARG A 28 -15.759 5.723 6.359 1.00 0.00 N ATOM 0 H ARG A 28 -13.346 4.330 0.382 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.567 4.570 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.278 3.415 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.021 4.994 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.112 3.939 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.372 2.356 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.453 2.432 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.901 3.099 5.084 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.329 5.346 4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.929 2.616 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.938 3.558 7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.625 6.552 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.331 5.777 7.202 1.00 0.00 H new ATOM 393 N PHE A 29 -10.153 2.099 1.001 1.00 0.00 N ATOM 394 CA PHE A 29 -9.853 0.758 0.512 1.00 0.00 C ATOM 395 C PHE A 29 -9.918 -0.261 1.647 1.00 0.00 C ATOM 396 O PHE A 29 -10.232 0.081 2.786 1.00 0.00 O ATOM 397 CB PHE A 29 -8.468 0.727 -0.138 1.00 0.00 C ATOM 398 CG PHE A 29 -8.307 1.721 -1.252 1.00 0.00 C ATOM 399 CD1 PHE A 29 -8.972 1.547 -2.455 1.00 0.00 C ATOM 400 CD2 PHE A 29 -7.490 2.829 -1.097 1.00 0.00 C ATOM 401 CE1 PHE A 29 -8.826 2.460 -3.483 1.00 0.00 C ATOM 402 CE2 PHE A 29 -7.340 3.746 -2.120 1.00 0.00 C ATOM 403 CZ PHE A 29 -8.008 3.561 -3.315 1.00 0.00 C ATOM 0 H PHE A 29 -9.375 2.560 1.472 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.602 0.494 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.713 0.922 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.279 -0.274 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.612 0.688 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.964 2.978 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.350 2.313 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.701 4.606 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.891 4.276 -4.116 1.00 0.00 H new ATOM 413 N GLY A 30 -9.618 -1.515 1.325 1.00 0.00 N ATOM 414 CA GLY A 30 -9.649 -2.566 2.326 1.00 0.00 C ATOM 415 C GLY A 30 -8.450 -3.488 2.235 1.00 0.00 C ATOM 416 O GLY A 30 -8.599 -4.710 2.191 1.00 0.00 O ATOM 0 H GLY A 30 -9.354 -1.822 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.684 -2.117 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.562 -3.149 2.208 1.00 0.00 H new ATOM 420 N PHE A 31 -7.256 -2.904 2.206 1.00 0.00 N ATOM 421 CA PHE A 31 -6.026 -3.682 2.117 1.00 0.00 C ATOM 422 C PHE A 31 -4.892 -2.995 2.872 1.00 0.00 C ATOM 423 O PHE A 31 -4.607 -1.819 2.650 1.00 0.00 O ATOM 424 CB PHE A 31 -5.630 -3.883 0.652 1.00 0.00 C ATOM 425 CG PHE A 31 -4.984 -2.676 0.035 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.650 -2.390 0.272 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.713 -1.827 -0.783 1.00 0.00 C ATOM 428 CE1 PHE A 31 -3.052 -1.280 -0.296 1.00 0.00 C ATOM 429 CE2 PHE A 31 -5.121 -0.716 -1.353 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.789 -0.441 -1.108 1.00 0.00 C ATOM 0 H PHE A 31 -7.115 -1.895 2.243 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.207 -4.655 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.945 -4.728 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.518 -4.144 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.070 -3.042 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.755 -2.036 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.010 -1.070 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.699 -0.063 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.326 0.428 -1.551 1.00 0.00 H new ATOM 440 N ASN A 32 -4.250 -3.739 3.767 1.00 0.00 N ATOM 441 CA ASN A 32 -3.148 -3.202 4.557 1.00 0.00 C ATOM 442 C ASN A 32 -1.803 -3.610 3.963 1.00 0.00 C ATOM 443 O ASN A 32 -1.719 -4.558 3.182 1.00 0.00 O ATOM 444 CB ASN A 32 -3.247 -3.687 6.005 1.00 0.00 C ATOM 445 CG ASN A 32 -4.088 -2.766 6.867 1.00 0.00 C ATOM 446 OD1 ASN A 32 -4.023 -1.544 6.736 1.00 0.00 O ATOM 447 ND2 ASN A 32 -4.884 -3.350 7.755 1.00 0.00 N ATOM 0 H ASN A 32 -4.474 -4.715 3.963 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.218 -2.114 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.677 -4.688 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.246 -3.763 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.474 -2.782 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.906 -4.367 7.829 1.00 0.00 H new ATOM 454 N VAL A 33 -0.752 -2.888 4.339 1.00 0.00 N ATOM 455 CA VAL A 33 0.589 -3.176 3.846 1.00 0.00 C ATOM 456 C VAL A 33 1.607 -3.162 4.981 1.00 0.00 C ATOM 457 O VAL A 33 1.351 -2.613 6.053 1.00 0.00 O ATOM 458 CB VAL A 33 1.021 -2.161 2.771 1.00 0.00 C ATOM 459 CG1 VAL A 33 -0.007 -2.097 1.652 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.233 -0.787 3.391 1.00 0.00 C ATOM 0 H VAL A 33 -0.804 -2.099 4.984 1.00 0.00 H new ATOM 0 HA VAL A 33 0.557 -4.172 3.404 1.00 0.00 H new ATOM 0 HB VAL A 33 1.967 -2.492 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.316 -1.375 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.104 -3.080 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.970 -1.791 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.538 -0.082 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.303 -0.446 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.010 -0.848 4.153 1.00 0.00 H new ATOM 470 N LYS A 34 2.763 -3.770 4.738 1.00 0.00 N ATOM 471 CA LYS A 34 3.823 -3.827 5.738 1.00 0.00 C ATOM 472 C LYS A 34 5.194 -3.904 5.075 1.00 0.00 C ATOM 473 O LYS A 34 5.305 -4.220 3.891 1.00 0.00 O ATOM 474 CB LYS A 34 3.620 -5.035 6.657 1.00 0.00 C ATOM 475 CG LYS A 34 3.583 -6.361 5.918 1.00 0.00 C ATOM 476 CD LYS A 34 3.775 -7.533 6.866 1.00 0.00 C ATOM 477 CE LYS A 34 3.799 -8.857 6.118 1.00 0.00 C ATOM 478 NZ LYS A 34 3.943 -10.015 7.044 1.00 0.00 N ATOM 0 H LYS A 34 2.990 -4.231 3.857 1.00 0.00 H new ATOM 0 HA LYS A 34 3.778 -2.914 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.424 -5.061 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.688 -4.909 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.630 -6.463 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.363 -6.376 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.707 -7.408 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.970 -7.544 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.880 -8.965 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.624 -8.857 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.955 -10.899 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.832 -9.925 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.142 -10.030 7.708 1.00 0.00 H new ATOM 492 N GLY A 35 6.237 -3.614 5.847 1.00 0.00 N ATOM 493 CA GLY A 35 7.587 -3.658 5.316 1.00 0.00 C ATOM 494 C GLY A 35 7.887 -2.490 4.398 1.00 0.00 C ATOM 495 O GLY A 35 6.979 -1.903 3.811 1.00 0.00 O ATOM 0 H GLY A 35 6.171 -3.350 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.299 -3.660 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.729 -4.591 4.770 1.00 0.00 H new ATOM 499 N GLY A 36 9.167 -2.150 4.274 1.00 0.00 N ATOM 500 CA GLY A 36 9.561 -1.044 3.421 1.00 0.00 C ATOM 501 C GLY A 36 11.066 -0.923 3.287 1.00 0.00 C ATOM 502 O GLY A 36 11.793 -1.899 3.475 1.00 0.00 O ATOM 0 H GLY A 36 9.937 -2.621 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.121 -1.177 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.160 -0.115 3.827 1.00 0.00 H new ATOM 506 N TYR A 37 11.535 0.275 2.959 1.00 0.00 N ATOM 507 CA TYR A 37 12.964 0.519 2.796 1.00 0.00 C ATOM 508 C TYR A 37 13.666 0.570 4.149 1.00 0.00 C ATOM 509 O TYR A 37 14.792 0.093 4.295 1.00 0.00 O ATOM 510 CB TYR A 37 13.196 1.828 2.039 1.00 0.00 C ATOM 511 CG TYR A 37 14.584 1.950 1.452 1.00 0.00 C ATOM 512 CD1 TYR A 37 14.973 1.170 0.370 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.506 2.845 1.979 1.00 0.00 C ATOM 514 CE1 TYR A 37 16.241 1.278 -0.169 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.775 2.961 1.446 1.00 0.00 C ATOM 516 CZ TYR A 37 17.138 2.175 0.373 1.00 0.00 C ATOM 517 OH TYR A 37 18.401 2.286 -0.162 1.00 0.00 O ATOM 0 H TYR A 37 10.947 1.093 2.801 1.00 0.00 H new ATOM 0 HA TYR A 37 13.384 -0.306 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.463 1.909 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.022 2.665 2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.273 0.467 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.226 3.461 2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 37 16.528 0.664 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.479 3.663 1.867 1.00 0.00 H new ATOM 0 HH TYR A 37 18.908 2.963 0.334 1.00 0.00 H new ATOM 527 N ASP A 38 12.993 1.151 5.136 1.00 0.00 N ATOM 528 CA ASP A 38 13.550 1.264 6.479 1.00 0.00 C ATOM 529 C ASP A 38 13.777 -0.116 7.090 1.00 0.00 C ATOM 530 O ASP A 38 14.477 -0.252 8.093 1.00 0.00 O ATOM 531 CB ASP A 38 12.620 2.085 7.373 1.00 0.00 C ATOM 532 CG ASP A 38 13.352 2.730 8.533 1.00 0.00 C ATOM 533 OD1 ASP A 38 14.464 2.267 8.863 1.00 0.00 O ATOM 534 OD2 ASP A 38 12.813 3.697 9.112 1.00 0.00 O ATOM 0 H ASP A 38 12.061 1.551 5.031 1.00 0.00 H new ATOM 0 HA ASP A 38 14.511 1.772 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.137 2.859 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.830 1.441 7.759 1.00 0.00 H new ATOM 539 N GLN A 39 13.180 -1.134 6.480 1.00 0.00 N ATOM 540 CA GLN A 39 13.315 -2.501 6.966 1.00 0.00 C ATOM 541 C GLN A 39 14.035 -3.374 5.943 1.00 0.00 C ATOM 542 O GLN A 39 14.125 -4.591 6.102 1.00 0.00 O ATOM 543 CB GLN A 39 11.940 -3.092 7.280 1.00 0.00 C ATOM 544 CG GLN A 39 11.390 -2.668 8.633 1.00 0.00 C ATOM 545 CD GLN A 39 11.928 -3.512 9.772 1.00 0.00 C ATOM 546 OE1 GLN A 39 12.413 -4.624 9.561 1.00 0.00 O ATOM 547 NE2 GLN A 39 11.845 -2.986 10.988 1.00 0.00 N ATOM 0 H GLN A 39 12.598 -1.038 5.648 1.00 0.00 H new ATOM 0 HA GLN A 39 13.909 -2.477 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.238 -2.792 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.005 -4.180 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.640 -1.622 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.302 -2.737 8.617 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.435 -2.061 11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.191 -3.507 11.794 1.00 0.00 H new ATOM 556 N LYS A 40 14.546 -2.744 4.890 1.00 0.00 N ATOM 557 CA LYS A 40 15.259 -3.461 3.840 1.00 0.00 C ATOM 558 C LYS A 40 14.418 -4.615 3.303 1.00 0.00 C ATOM 559 O LYS A 40 14.954 -5.613 2.820 1.00 0.00 O ATOM 560 CB LYS A 40 16.592 -3.992 4.371 1.00 0.00 C ATOM 561 CG LYS A 40 17.595 -2.899 4.699 1.00 0.00 C ATOM 562 CD LYS A 40 18.198 -2.299 3.440 1.00 0.00 C ATOM 563 CE LYS A 40 18.681 -0.876 3.676 1.00 0.00 C ATOM 564 NZ LYS A 40 19.593 -0.413 2.593 1.00 0.00 N ATOM 0 H LYS A 40 14.479 -1.737 4.742 1.00 0.00 H new ATOM 0 HA LYS A 40 15.452 -2.764 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.407 -4.584 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.027 -4.663 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.105 -2.116 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.389 -3.308 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.032 -2.916 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.456 -2.305 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.823 -0.207 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.198 -0.822 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.900 0.561 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.424 -1.036 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.092 -0.440 1.682 1.00 0.00 H new ATOM 578 N MET A 41 13.100 -4.472 3.389 1.00 0.00 N ATOM 579 CA MET A 41 12.186 -5.502 2.909 1.00 0.00 C ATOM 580 C MET A 41 11.131 -4.904 1.984 1.00 0.00 C ATOM 581 O MET A 41 10.776 -3.729 2.086 1.00 0.00 O ATOM 582 CB MET A 41 11.510 -6.204 4.088 1.00 0.00 C ATOM 583 CG MET A 41 10.376 -5.400 4.704 1.00 0.00 C ATOM 584 SD MET A 41 9.323 -6.395 5.777 1.00 0.00 S ATOM 585 CE MET A 41 8.591 -7.517 4.588 1.00 0.00 C ATOM 0 H MET A 41 12.641 -3.653 3.787 1.00 0.00 H new ATOM 0 HA MET A 41 12.765 -6.233 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.123 -7.166 3.754 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.257 -6.410 4.855 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.793 -4.572 5.277 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.770 -4.965 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.505 -7.477 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.889 -7.225 3.581 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.933 -8.532 4.788 1.00 0.00 H new ATOM 595 N PRO A 42 10.617 -5.729 1.060 1.00 0.00 N ATOM 596 CA PRO A 42 9.594 -5.303 0.100 1.00 0.00 C ATOM 597 C PRO A 42 8.246 -5.047 0.764 1.00 0.00 C ATOM 598 O PRO A 42 7.962 -5.576 1.839 1.00 0.00 O ATOM 599 CB PRO A 42 9.499 -6.486 -0.866 1.00 0.00 C ATOM 600 CG PRO A 42 9.952 -7.662 -0.070 1.00 0.00 C ATOM 601 CD PRO A 42 10.993 -7.141 0.881 1.00 0.00 C ATOM 0 HA PRO A 42 9.855 -4.361 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.480 -6.621 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.130 -6.334 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.119 -8.111 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.366 -8.435 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.980 -7.683 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 42 11.998 -7.240 0.470 1.00 0.00 H new ATOM 609 N VAL A 43 7.417 -4.234 0.117 1.00 0.00 N ATOM 610 CA VAL A 43 6.097 -3.910 0.644 1.00 0.00 C ATOM 611 C VAL A 43 5.063 -4.944 0.211 1.00 0.00 C ATOM 612 O VAL A 43 4.648 -4.973 -0.948 1.00 0.00 O ATOM 613 CB VAL A 43 5.635 -2.515 0.183 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.170 -2.295 0.529 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.506 -1.434 0.805 1.00 0.00 C ATOM 0 H VAL A 43 7.637 -3.788 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 43 6.180 -3.916 1.731 1.00 0.00 H new ATOM 0 HB VAL A 43 5.740 -2.456 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.862 -1.304 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.561 -3.050 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.035 -2.373 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.166 -0.455 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.435 -1.490 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.542 -1.582 0.501 1.00 0.00 H new ATOM 625 N ILE A 44 4.652 -5.790 1.150 1.00 0.00 N ATOM 626 CA ILE A 44 3.665 -6.824 0.865 1.00 0.00 C ATOM 627 C ILE A 44 2.382 -6.593 1.657 1.00 0.00 C ATOM 628 O ILE A 44 2.410 -6.044 2.759 1.00 0.00 O ATOM 629 CB ILE A 44 4.210 -8.227 1.192 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.513 -8.481 0.431 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.176 -9.290 0.851 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.722 -7.833 1.070 1.00 0.00 C ATOM 0 H ILE A 44 4.987 -5.780 2.113 1.00 0.00 H new ATOM 0 HA ILE A 44 3.447 -6.766 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 44 4.418 -8.280 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.681 -9.556 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.408 -8.109 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.576 -10.276 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.271 -9.117 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.940 -9.240 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.610 -8.055 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.576 -6.754 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.853 -8.223 2.079 1.00 0.00 H new ATOM 644 N VAL A 45 1.258 -7.016 1.088 1.00 0.00 N ATOM 645 CA VAL A 45 -0.036 -6.858 1.742 1.00 0.00 C ATOM 646 C VAL A 45 -0.053 -7.549 3.100 1.00 0.00 C ATOM 647 O VAL A 45 0.280 -8.729 3.213 1.00 0.00 O ATOM 648 CB VAL A 45 -1.176 -7.426 0.875 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.443 -7.592 1.700 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.426 -6.529 -0.328 1.00 0.00 C ATOM 0 H VAL A 45 1.217 -7.471 0.176 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.193 -5.788 1.880 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.878 -8.409 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.237 -7.994 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.252 -8.277 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.749 -6.624 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.234 -6.944 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.703 -5.532 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.520 -6.467 -0.930 1.00 0.00 H new ATOM 660 N SER A 46 -0.444 -6.807 4.131 1.00 0.00 N ATOM 661 CA SER A 46 -0.503 -7.347 5.484 1.00 0.00 C ATOM 662 C SER A 46 -1.776 -8.161 5.690 1.00 0.00 C ATOM 663 O SER A 46 -1.722 -9.364 5.950 1.00 0.00 O ATOM 664 CB SER A 46 -0.436 -6.215 6.511 1.00 0.00 C ATOM 665 OG SER A 46 -0.717 -6.692 7.816 1.00 0.00 O ATOM 0 H SER A 46 -0.725 -5.829 4.055 1.00 0.00 H new ATOM 0 HA SER A 46 0.354 -8.006 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.555 -5.761 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.149 -5.435 6.244 1.00 0.00 H new ATOM 0 HG SER A 46 -0.666 -5.950 8.454 1.00 0.00 H new ATOM 671 N ARG A 47 -2.921 -7.498 5.571 1.00 0.00 N ATOM 672 CA ARG A 47 -4.209 -8.159 5.745 1.00 0.00 C ATOM 673 C ARG A 47 -5.253 -7.571 4.800 1.00 0.00 C ATOM 674 O ARG A 47 -5.138 -6.425 4.366 1.00 0.00 O ATOM 675 CB ARG A 47 -4.683 -8.025 7.193 1.00 0.00 C ATOM 676 CG ARG A 47 -5.882 -8.899 7.525 1.00 0.00 C ATOM 677 CD ARG A 47 -5.486 -10.362 7.652 1.00 0.00 C ATOM 678 NE ARG A 47 -6.648 -11.232 7.811 1.00 0.00 N ATOM 679 CZ ARG A 47 -6.583 -12.558 7.783 1.00 0.00 C ATOM 680 NH1 ARG A 47 -5.417 -13.164 7.605 1.00 0.00 N ATOM 681 NH2 ARG A 47 -7.685 -13.281 7.935 1.00 0.00 N ATOM 0 H ARG A 47 -2.983 -6.503 5.355 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.083 -9.215 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.861 -8.282 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.938 -6.983 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.333 -8.561 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.638 -8.792 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.926 -10.664 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.822 -10.485 8.507 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.560 -10.797 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.567 -12.611 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.370 -14.183 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.583 -12.818 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.634 -14.299 7.913 1.00 0.00 H new ATOM 695 N VAL A 48 -6.272 -8.365 4.486 1.00 0.00 N ATOM 696 CA VAL A 48 -7.337 -7.924 3.593 1.00 0.00 C ATOM 697 C VAL A 48 -8.700 -8.396 4.088 1.00 0.00 C ATOM 698 O VAL A 48 -8.983 -9.594 4.111 1.00 0.00 O ATOM 699 CB VAL A 48 -7.118 -8.441 2.159 1.00 0.00 C ATOM 700 CG1 VAL A 48 -8.100 -7.787 1.199 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.683 -8.194 1.718 1.00 0.00 C ATOM 0 H VAL A 48 -6.382 -9.316 4.837 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.313 -6.834 3.586 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.298 -9.516 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.930 -8.165 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.119 -8.020 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.956 -6.707 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.545 -8.565 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.473 -7.125 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.001 -8.715 2.390 1.00 0.00 H new ATOM 711 N ALA A 49 -9.541 -7.446 4.484 1.00 0.00 N ATOM 712 CA ALA A 49 -10.876 -7.764 4.977 1.00 0.00 C ATOM 713 C ALA A 49 -11.841 -8.016 3.823 1.00 0.00 C ATOM 714 O ALA A 49 -11.693 -7.474 2.728 1.00 0.00 O ATOM 715 CB ALA A 49 -11.392 -6.642 5.864 1.00 0.00 C ATOM 0 H ALA A 49 -9.322 -6.450 4.473 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.811 -8.678 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.389 -6.893 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.721 -6.512 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.436 -5.716 5.291 1.00 0.00 H new ATOM 721 N PRO A 50 -12.854 -8.860 4.072 1.00 0.00 N ATOM 722 CA PRO A 50 -13.863 -9.203 3.066 1.00 0.00 C ATOM 723 C PRO A 50 -14.787 -8.031 2.749 1.00 0.00 C ATOM 724 O PRO A 50 -14.799 -7.027 3.459 1.00 0.00 O ATOM 725 CB PRO A 50 -14.649 -10.340 3.725 1.00 0.00 C ATOM 726 CG PRO A 50 -14.468 -10.127 5.188 1.00 0.00 C ATOM 727 CD PRO A 50 -13.092 -9.543 5.355 1.00 0.00 C ATOM 0 HA PRO A 50 -13.411 -9.476 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.702 -10.306 3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.269 -11.314 3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.229 -9.452 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.562 -11.066 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.049 -8.849 6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.347 -10.316 5.543 1.00 0.00 H new ATOM 735 N GLY A 51 -15.561 -8.168 1.676 1.00 0.00 N ATOM 736 CA GLY A 51 -16.477 -7.113 1.284 1.00 0.00 C ATOM 737 C GLY A 51 -15.770 -5.799 1.017 1.00 0.00 C ATOM 738 O GLY A 51 -16.306 -4.727 1.300 1.00 0.00 O ATOM 0 H GLY A 51 -15.570 -8.990 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.017 -7.420 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.219 -6.970 2.070 1.00 0.00 H new ATOM 742 N THR A 52 -14.560 -5.880 0.472 1.00 0.00 N ATOM 743 CA THR A 52 -13.776 -4.689 0.170 1.00 0.00 C ATOM 744 C THR A 52 -13.523 -4.563 -1.327 1.00 0.00 C ATOM 745 O THR A 52 -13.521 -5.548 -2.066 1.00 0.00 O ATOM 746 CB THR A 52 -12.424 -4.704 0.909 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.789 -5.976 0.741 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.614 -4.417 2.391 1.00 0.00 C ATOM 0 H THR A 52 -14.102 -6.759 0.231 1.00 0.00 H new ATOM 0 HA THR A 52 -14.358 -3.833 0.510 1.00 0.00 H new ATOM 0 HB THR A 52 -11.793 -3.924 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.345 -6.233 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.646 -4.433 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.071 -3.435 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.261 -5.177 2.829 1.00 0.00 H new ATOM 756 N PRO A 53 -13.302 -3.323 -1.789 1.00 0.00 N ATOM 757 CA PRO A 53 -13.042 -3.040 -3.203 1.00 0.00 C ATOM 758 C PRO A 53 -11.681 -3.556 -3.657 1.00 0.00 C ATOM 759 O PRO A 53 -11.329 -3.455 -4.832 1.00 0.00 O ATOM 760 CB PRO A 53 -13.085 -1.511 -3.272 1.00 0.00 C ATOM 761 CG PRO A 53 -12.735 -1.060 -1.896 1.00 0.00 C ATOM 762 CD PRO A 53 -13.290 -2.103 -0.965 1.00 0.00 C ATOM 0 HA PRO A 53 -13.764 -3.530 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.377 -1.128 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.073 -1.156 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.655 -0.967 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.164 -0.081 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.667 -2.223 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.290 -1.842 -0.619 1.00 0.00 H new ATOM 770 N ALA A 54 -10.920 -4.109 -2.719 1.00 0.00 N ATOM 771 CA ALA A 54 -9.599 -4.643 -3.024 1.00 0.00 C ATOM 772 C ALA A 54 -9.620 -6.167 -3.071 1.00 0.00 C ATOM 773 O ALA A 54 -8.641 -6.800 -3.468 1.00 0.00 O ATOM 774 CB ALA A 54 -8.584 -4.159 -1.998 1.00 0.00 C ATOM 0 H ALA A 54 -11.196 -4.199 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.306 -4.279 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.602 -4.566 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.540 -3.070 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.882 -4.494 -1.005 1.00 0.00 H new ATOM 780 N ASP A 55 -10.741 -6.751 -2.662 1.00 0.00 N ATOM 781 CA ASP A 55 -10.890 -8.202 -2.658 1.00 0.00 C ATOM 782 C ASP A 55 -11.736 -8.665 -3.840 1.00 0.00 C ATOM 783 O ASP A 55 -11.341 -9.561 -4.587 1.00 0.00 O ATOM 784 CB ASP A 55 -11.525 -8.667 -1.347 1.00 0.00 C ATOM 785 CG ASP A 55 -11.463 -10.172 -1.175 1.00 0.00 C ATOM 786 OD1 ASP A 55 -10.465 -10.664 -0.609 1.00 0.00 O ATOM 787 OD2 ASP A 55 -12.413 -10.859 -1.609 1.00 0.00 O ATOM 0 H ASP A 55 -11.560 -6.242 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.898 -8.645 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.017 -8.187 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.565 -8.343 -1.316 1.00 0.00 H new ATOM 792 N LEU A 56 -12.902 -8.050 -4.002 1.00 0.00 N ATOM 793 CA LEU A 56 -13.806 -8.399 -5.093 1.00 0.00 C ATOM 794 C LEU A 56 -13.225 -7.976 -6.438 1.00 0.00 C ATOM 795 O LEU A 56 -13.734 -8.357 -7.493 1.00 0.00 O ATOM 796 CB LEU A 56 -15.170 -7.738 -4.883 1.00 0.00 C ATOM 797 CG LEU A 56 -15.829 -7.976 -3.524 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.814 -6.863 -3.207 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.524 -9.330 -3.498 1.00 0.00 C ATOM 0 H LEU A 56 -13.244 -7.307 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.931 -9.482 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.056 -6.663 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.847 -8.093 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.052 -7.974 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.273 -7.049 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.289 -5.908 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.587 -6.832 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.987 -9.482 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.290 -9.361 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.793 -10.118 -3.679 1.00 0.00 H new ATOM 811 N CYS A 57 -12.156 -7.189 -6.394 1.00 0.00 N ATOM 812 CA CYS A 57 -11.504 -6.715 -7.610 1.00 0.00 C ATOM 813 C CYS A 57 -10.759 -7.850 -8.304 1.00 0.00 C ATOM 814 O CYS A 57 -10.673 -8.962 -7.783 1.00 0.00 O ATOM 815 CB CYS A 57 -10.535 -5.577 -7.284 1.00 0.00 C ATOM 816 SG CYS A 57 -8.898 -6.131 -6.754 1.00 0.00 S ATOM 0 H CYS A 57 -11.722 -6.865 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.275 -6.343 -8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.425 -4.944 -8.165 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.969 -4.958 -6.499 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.937 -6.459 -5.497 1.00 0.00 H new ATOM 822 N VAL A 58 -10.222 -7.563 -9.486 1.00 0.00 N ATOM 823 CA VAL A 58 -9.485 -8.559 -10.254 1.00 0.00 C ATOM 824 C VAL A 58 -8.297 -7.930 -10.973 1.00 0.00 C ATOM 825 O VAL A 58 -8.424 -6.921 -11.667 1.00 0.00 O ATOM 826 CB VAL A 58 -10.390 -9.253 -11.289 1.00 0.00 C ATOM 827 CG1 VAL A 58 -11.082 -8.223 -12.168 1.00 0.00 C ATOM 828 CG2 VAL A 58 -9.583 -10.229 -12.132 1.00 0.00 C ATOM 0 H VAL A 58 -10.284 -6.648 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.123 -9.302 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.157 -9.816 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.717 -8.732 -12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.693 -7.567 -11.548 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.333 -7.631 -12.694 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.238 -10.711 -12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.794 -9.690 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.138 -10.986 -11.486 1.00 0.00 H new ATOM 838 N PRO A 59 -7.114 -8.538 -10.806 1.00 0.00 N ATOM 839 CA PRO A 59 -6.951 -9.740 -9.982 1.00 0.00 C ATOM 840 C PRO A 59 -7.122 -9.450 -8.495 1.00 0.00 C ATOM 841 O PRO A 59 -6.576 -8.477 -7.975 1.00 0.00 O ATOM 842 CB PRO A 59 -5.515 -10.181 -10.279 1.00 0.00 C ATOM 843 CG PRO A 59 -4.814 -8.935 -10.697 1.00 0.00 C ATOM 844 CD PRO A 59 -5.843 -8.100 -11.409 1.00 0.00 C ATOM 0 HA PRO A 59 -7.700 -10.497 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.047 -10.622 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.487 -10.934 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.411 -8.405 -9.834 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.973 -9.161 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.672 -7.034 -11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.827 -8.274 -12.485 1.00 0.00 H new ATOM 852 N ARG A 60 -7.884 -10.301 -7.815 1.00 0.00 N ATOM 853 CA ARG A 60 -8.128 -10.135 -6.388 1.00 0.00 C ATOM 854 C ARG A 60 -6.814 -9.995 -5.624 1.00 0.00 C ATOM 855 O ARG A 60 -5.947 -10.867 -5.693 1.00 0.00 O ATOM 856 CB ARG A 60 -8.922 -11.324 -5.843 1.00 0.00 C ATOM 857 CG ARG A 60 -8.793 -11.505 -4.339 1.00 0.00 C ATOM 858 CD ARG A 60 -9.623 -12.680 -3.846 1.00 0.00 C ATOM 859 NE ARG A 60 -9.406 -12.946 -2.427 1.00 0.00 N ATOM 860 CZ ARG A 60 -9.634 -14.124 -1.856 1.00 0.00 C ATOM 861 NH1 ARG A 60 -10.083 -15.139 -2.581 1.00 0.00 N ATOM 862 NH2 ARG A 60 -9.412 -14.288 -0.558 1.00 0.00 N ATOM 0 H ARG A 60 -8.343 -11.112 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.709 -9.223 -6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.974 -11.194 -6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.585 -12.234 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.746 -11.663 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.113 -10.594 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.680 -12.475 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.372 -13.569 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.060 -12.186 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.254 -15.017 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.257 -16.042 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.066 -13.509 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.587 -15.193 -0.121 1.00 0.00 H new ATOM 876 N LEU A 61 -6.673 -8.891 -4.898 1.00 0.00 N ATOM 877 CA LEU A 61 -5.465 -8.635 -4.122 1.00 0.00 C ATOM 878 C LEU A 61 -5.456 -9.463 -2.840 1.00 0.00 C ATOM 879 O LEU A 61 -6.096 -9.103 -1.853 1.00 0.00 O ATOM 880 CB LEU A 61 -5.358 -7.148 -3.783 1.00 0.00 C ATOM 881 CG LEU A 61 -4.089 -6.716 -3.047 1.00 0.00 C ATOM 882 CD1 LEU A 61 -2.912 -6.650 -4.007 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.299 -5.372 -2.364 1.00 0.00 C ATOM 0 H LEU A 61 -7.380 -8.159 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.606 -8.926 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.428 -6.579 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.219 -6.872 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.866 -7.459 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.018 -6.341 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.747 -7.633 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.126 -5.929 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.386 -5.081 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.548 -4.619 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.114 -5.453 -1.645 1.00 0.00 H new ATOM 895 N ASN A 62 -4.723 -10.572 -2.863 1.00 0.00 N ATOM 896 CA ASN A 62 -4.629 -11.449 -1.702 1.00 0.00 C ATOM 897 C ASN A 62 -3.260 -11.329 -1.039 1.00 0.00 C ATOM 898 O ASN A 62 -2.298 -10.877 -1.658 1.00 0.00 O ATOM 899 CB ASN A 62 -4.884 -12.901 -2.112 1.00 0.00 C ATOM 900 CG ASN A 62 -4.000 -13.341 -3.263 1.00 0.00 C ATOM 901 OD1 ASN A 62 -2.835 -12.953 -3.348 1.00 0.00 O ATOM 902 ND2 ASN A 62 -4.552 -14.155 -4.156 1.00 0.00 N ATOM 0 H ASN A 62 -4.186 -10.884 -3.672 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.389 -11.142 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.712 -13.553 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.930 -13.017 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.006 -14.484 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.522 -14.451 -4.045 1.00 0.00 H new ATOM 909 N GLU A 63 -3.182 -11.739 0.223 1.00 0.00 N ATOM 910 CA GLU A 63 -1.931 -11.678 0.969 1.00 0.00 C ATOM 911 C GLU A 63 -0.786 -12.287 0.164 1.00 0.00 C ATOM 912 O GLU A 63 -0.955 -13.308 -0.501 1.00 0.00 O ATOM 913 CB GLU A 63 -2.072 -12.407 2.307 1.00 0.00 C ATOM 914 CG GLU A 63 -3.203 -11.876 3.173 1.00 0.00 C ATOM 915 CD GLU A 63 -3.621 -12.856 4.251 1.00 0.00 C ATOM 916 OE1 GLU A 63 -3.722 -14.063 3.950 1.00 0.00 O ATOM 917 OE2 GLU A 63 -3.847 -12.415 5.398 1.00 0.00 O ATOM 0 H GLU A 63 -3.970 -12.117 0.750 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.702 -10.629 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.238 -13.468 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.135 -12.324 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.891 -10.941 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.062 -11.647 2.542 1.00 0.00 H new ATOM 924 N GLY A 64 0.380 -11.651 0.229 1.00 0.00 N ATOM 925 CA GLY A 64 1.535 -12.143 -0.498 1.00 0.00 C ATOM 926 C GLY A 64 1.885 -11.273 -1.689 1.00 0.00 C ATOM 927 O GLY A 64 3.057 -11.122 -2.033 1.00 0.00 O ATOM 0 H GLY A 64 0.545 -10.804 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.390 -12.192 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.339 -13.159 -0.840 1.00 0.00 H new ATOM 931 N ASP A 65 0.866 -10.699 -2.320 1.00 0.00 N ATOM 932 CA ASP A 65 1.072 -9.839 -3.480 1.00 0.00 C ATOM 933 C ASP A 65 2.075 -8.733 -3.165 1.00 0.00 C ATOM 934 O ASP A 65 1.701 -7.659 -2.696 1.00 0.00 O ATOM 935 CB ASP A 65 -0.256 -9.228 -3.930 1.00 0.00 C ATOM 936 CG ASP A 65 -1.024 -10.139 -4.867 1.00 0.00 C ATOM 937 OD1 ASP A 65 -1.128 -11.347 -4.568 1.00 0.00 O ATOM 938 OD2 ASP A 65 -1.522 -9.643 -5.899 1.00 0.00 O ATOM 0 H ASP A 65 -0.110 -10.814 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 65 1.474 -10.450 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.869 -9.012 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.065 -8.277 -4.428 1.00 0.00 H new ATOM 943 N GLN A 66 3.349 -9.006 -3.426 1.00 0.00 N ATOM 944 CA GLN A 66 4.406 -8.034 -3.168 1.00 0.00 C ATOM 945 C GLN A 66 4.311 -6.858 -4.135 1.00 0.00 C ATOM 946 O GLN A 66 4.409 -7.031 -5.350 1.00 0.00 O ATOM 947 CB GLN A 66 5.779 -8.698 -3.287 1.00 0.00 C ATOM 948 CG GLN A 66 6.929 -7.707 -3.366 1.00 0.00 C ATOM 949 CD GLN A 66 8.260 -8.379 -3.642 1.00 0.00 C ATOM 950 OE1 GLN A 66 8.599 -9.388 -3.023 1.00 0.00 O ATOM 951 NE2 GLN A 66 9.022 -7.821 -4.575 1.00 0.00 N ATOM 0 H GLN A 66 3.675 -9.891 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 66 4.279 -7.658 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.933 -9.352 -2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.792 -9.329 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.724 -6.980 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.993 -7.154 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.701 -6.985 -5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.929 -8.228 -4.804 1.00 0.00 H new ATOM 960 N VAL A 67 4.120 -5.662 -3.588 1.00 0.00 N ATOM 961 CA VAL A 67 4.013 -4.457 -4.401 1.00 0.00 C ATOM 962 C VAL A 67 5.387 -3.974 -4.852 1.00 0.00 C ATOM 963 O VAL A 67 6.281 -3.761 -4.033 1.00 0.00 O ATOM 964 CB VAL A 67 3.308 -3.323 -3.634 1.00 0.00 C ATOM 965 CG1 VAL A 67 2.905 -2.205 -4.584 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.097 -3.859 -2.886 1.00 0.00 C ATOM 0 H VAL A 67 4.036 -5.502 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 67 3.418 -4.718 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 67 4.006 -2.913 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.408 -1.413 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.794 -1.803 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.224 -2.597 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.611 -3.044 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.395 -4.296 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.416 -4.622 -2.176 1.00 0.00 H new ATOM 976 N VAL A 68 5.548 -3.802 -6.160 1.00 0.00 N ATOM 977 CA VAL A 68 6.813 -3.342 -6.720 1.00 0.00 C ATOM 978 C VAL A 68 6.779 -1.844 -6.997 1.00 0.00 C ATOM 979 O VAL A 68 7.620 -1.091 -6.505 1.00 0.00 O ATOM 980 CB VAL A 68 7.153 -4.087 -8.025 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.507 -3.642 -8.556 1.00 0.00 C ATOM 982 CG2 VAL A 68 7.127 -5.592 -7.801 1.00 0.00 C ATOM 0 H VAL A 68 4.818 -3.974 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 68 7.583 -3.554 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 68 6.398 -3.841 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.731 -4.179 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.485 -2.571 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.277 -3.857 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.369 -6.103 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.860 -5.859 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.133 -5.893 -7.470 1.00 0.00 H new ATOM 992 N LEU A 69 5.801 -1.417 -7.788 1.00 0.00 N ATOM 993 CA LEU A 69 5.655 -0.006 -8.132 1.00 0.00 C ATOM 994 C LEU A 69 4.191 0.417 -8.085 1.00 0.00 C ATOM 995 O LEU A 69 3.306 -0.325 -8.512 1.00 0.00 O ATOM 996 CB LEU A 69 6.232 0.262 -9.523 1.00 0.00 C ATOM 997 CG LEU A 69 7.637 -0.282 -9.784 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.948 -0.265 -11.273 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.672 0.523 -9.012 1.00 0.00 C ATOM 0 H LEU A 69 5.097 -2.027 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 69 6.207 0.581 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.556 -0.165 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.245 1.339 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 69 7.676 -1.315 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.952 -0.656 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.225 -0.885 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.890 0.758 -11.645 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.666 0.122 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.632 1.565 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.460 0.459 -7.945 1.00 0.00 H new ATOM 1011 N ILE A 70 3.943 1.615 -7.567 1.00 0.00 N ATOM 1012 CA ILE A 70 2.586 2.139 -7.468 1.00 0.00 C ATOM 1013 C ILE A 70 2.329 3.204 -8.529 1.00 0.00 C ATOM 1014 O ILE A 70 2.971 4.253 -8.537 1.00 0.00 O ATOM 1015 CB ILE A 70 2.314 2.740 -6.076 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.386 1.651 -5.004 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.957 3.426 -6.052 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.432 2.195 -3.593 1.00 0.00 C ATOM 0 H ILE A 70 4.664 2.241 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 70 1.911 1.299 -7.629 1.00 0.00 H new ATOM 0 HB ILE A 70 3.080 3.485 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.521 0.996 -5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.271 1.039 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.779 3.846 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.940 4.225 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.178 2.700 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.482 1.367 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.312 2.827 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.535 2.783 -3.400 1.00 0.00 H new ATOM 1030 N ASN A 71 1.385 2.927 -9.422 1.00 0.00 N ATOM 1031 CA ASN A 71 1.041 3.862 -10.487 1.00 0.00 C ATOM 1032 C ASN A 71 2.269 4.206 -11.325 1.00 0.00 C ATOM 1033 O ASN A 71 2.345 5.280 -11.921 1.00 0.00 O ATOM 1034 CB ASN A 71 0.438 5.139 -9.898 1.00 0.00 C ATOM 1035 CG ASN A 71 -1.064 5.038 -9.717 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -1.806 4.850 -10.682 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -1.521 5.163 -8.476 1.00 0.00 N ATOM 0 H ASN A 71 0.844 2.062 -9.429 1.00 0.00 H new ATOM 0 HA ASN A 71 0.304 3.384 -11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.904 5.347 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.667 5.981 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.523 5.104 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.870 5.318 -7.706 1.00 0.00 H new ATOM 1044 N GLY A 72 3.228 3.286 -11.366 1.00 0.00 N ATOM 1045 CA GLY A 72 4.438 3.510 -12.134 1.00 0.00 C ATOM 1046 C GLY A 72 5.434 4.388 -11.403 1.00 0.00 C ATOM 1047 O GLY A 72 6.099 5.226 -12.014 1.00 0.00 O ATOM 0 H GLY A 72 3.188 2.390 -10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.903 2.551 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.180 3.974 -13.086 1.00 0.00 H new ATOM 1051 N ARG A 73 5.538 4.198 -10.092 1.00 0.00 N ATOM 1052 CA ARG A 73 6.458 4.982 -9.277 1.00 0.00 C ATOM 1053 C ARG A 73 7.302 4.075 -8.385 1.00 0.00 C ATOM 1054 O ARG A 73 6.850 3.012 -7.960 1.00 0.00 O ATOM 1055 CB ARG A 73 5.685 5.984 -8.417 1.00 0.00 C ATOM 1056 CG ARG A 73 6.578 6.916 -7.616 1.00 0.00 C ATOM 1057 CD ARG A 73 7.243 7.953 -8.508 1.00 0.00 C ATOM 1058 NE ARG A 73 6.283 8.918 -9.035 1.00 0.00 N ATOM 1059 CZ ARG A 73 6.616 10.136 -9.448 1.00 0.00 C ATOM 1060 NH1 ARG A 73 7.879 10.535 -9.395 1.00 0.00 N ATOM 1061 NH2 ARG A 73 5.685 10.958 -9.915 1.00 0.00 N ATOM 0 H ARG A 73 4.997 3.508 -9.571 1.00 0.00 H new ATOM 0 HA ARG A 73 7.124 5.526 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.038 6.579 -9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.037 5.438 -7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.987 7.418 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.342 6.335 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.012 8.479 -7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.744 7.451 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 73 5.303 8.642 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.598 9.906 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.132 11.471 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.712 10.655 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.942 11.893 -10.232 1.00 0.00 H new ATOM 1075 N ASP A 74 8.528 4.503 -8.107 1.00 0.00 N ATOM 1076 CA ASP A 74 9.435 3.731 -7.266 1.00 0.00 C ATOM 1077 C ASP A 74 9.161 3.992 -5.788 1.00 0.00 C ATOM 1078 O ASP A 74 9.792 4.852 -5.172 1.00 0.00 O ATOM 1079 CB ASP A 74 10.888 4.075 -7.596 1.00 0.00 C ATOM 1080 CG ASP A 74 11.113 5.568 -7.732 1.00 0.00 C ATOM 1081 OD1 ASP A 74 10.426 6.338 -7.029 1.00 0.00 O ATOM 1082 OD2 ASP A 74 11.978 5.966 -8.540 1.00 0.00 O ATOM 0 H ASP A 74 8.917 5.381 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 74 9.265 2.673 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.538 3.682 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.173 3.581 -8.525 1.00 0.00 H new ATOM 1087 N ILE A 75 8.216 3.246 -5.226 1.00 0.00 N ATOM 1088 CA ILE A 75 7.858 3.397 -3.821 1.00 0.00 C ATOM 1089 C ILE A 75 8.726 2.511 -2.935 1.00 0.00 C ATOM 1090 O ILE A 75 8.814 2.721 -1.726 1.00 0.00 O ATOM 1091 CB ILE A 75 6.377 3.055 -3.577 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.101 1.596 -3.947 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.479 3.988 -4.375 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.331 0.629 -2.807 1.00 0.00 C ATOM 0 H ILE A 75 7.684 2.531 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 75 8.027 4.442 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 75 6.158 3.190 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.069 1.505 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.739 1.315 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.435 3.733 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.660 5.018 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.697 3.882 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.116 -0.386 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.369 0.691 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.674 0.884 -1.976 1.00 0.00 H new ATOM 1106 N ALA A 76 9.368 1.520 -3.546 1.00 0.00 N ATOM 1107 CA ALA A 76 10.233 0.604 -2.813 1.00 0.00 C ATOM 1108 C ALA A 76 11.398 1.346 -2.168 1.00 0.00 C ATOM 1109 O ALA A 76 11.927 0.918 -1.143 1.00 0.00 O ATOM 1110 CB ALA A 76 10.748 -0.489 -3.738 1.00 0.00 C ATOM 0 H ALA A 76 9.305 1.331 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 76 9.645 0.145 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.393 -1.166 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.905 -1.046 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.315 -0.039 -4.553 1.00 0.00 H new ATOM 1116 N GLU A 77 11.794 2.460 -2.776 1.00 0.00 N ATOM 1117 CA GLU A 77 12.898 3.260 -2.261 1.00 0.00 C ATOM 1118 C GLU A 77 12.426 4.181 -1.139 1.00 0.00 C ATOM 1119 O GLU A 77 13.231 4.843 -0.484 1.00 0.00 O ATOM 1120 CB GLU A 77 13.525 4.088 -3.384 1.00 0.00 C ATOM 1121 CG GLU A 77 14.095 3.248 -4.515 1.00 0.00 C ATOM 1122 CD GLU A 77 15.205 3.956 -5.267 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.265 4.211 -4.659 1.00 0.00 O ATOM 1124 OE2 GLU A 77 15.012 4.256 -6.464 1.00 0.00 O ATOM 0 H GLU A 77 11.366 2.828 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 77 13.648 2.579 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.772 4.764 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.319 4.708 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.477 2.311 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.296 2.992 -5.211 1.00 0.00 H new ATOM 1131 N HIS A 78 11.115 4.217 -0.923 1.00 0.00 N ATOM 1132 CA HIS A 78 10.534 5.056 0.119 1.00 0.00 C ATOM 1133 C HIS A 78 10.178 4.226 1.349 1.00 0.00 C ATOM 1134 O HIS A 78 9.847 3.045 1.239 1.00 0.00 O ATOM 1135 CB HIS A 78 9.289 5.771 -0.407 1.00 0.00 C ATOM 1136 CG HIS A 78 9.556 6.641 -1.596 1.00 0.00 C ATOM 1137 ND1 HIS A 78 9.990 6.146 -2.808 1.00 0.00 N ATOM 1138 CD2 HIS A 78 9.445 7.980 -1.756 1.00 0.00 C ATOM 1139 CE1 HIS A 78 10.137 7.144 -3.661 1.00 0.00 C ATOM 1140 NE2 HIS A 78 9.812 8.268 -3.048 1.00 0.00 N ATOM 0 H HIS A 78 10.435 3.675 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 78 11.276 5.801 0.407 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.538 5.027 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.866 6.381 0.391 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.169 5.163 -3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.127 8.690 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.467 7.056 -4.686 1.00 0.00 H new ATOM 1149 N THR A 79 10.248 4.851 2.520 1.00 0.00 N ATOM 1150 CA THR A 79 9.935 4.170 3.770 1.00 0.00 C ATOM 1151 C THR A 79 8.467 3.761 3.820 1.00 0.00 C ATOM 1152 O THR A 79 7.644 4.268 3.057 1.00 0.00 O ATOM 1153 CB THR A 79 10.251 5.058 4.988 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.459 6.251 4.943 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.727 5.424 5.022 1.00 0.00 C ATOM 0 H THR A 79 10.519 5.828 2.629 1.00 0.00 H new ATOM 0 HA THR A 79 10.560 3.278 3.809 1.00 0.00 H new ATOM 0 HB THR A 79 10.011 4.497 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.664 6.810 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.926 6.051 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.326 4.515 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.988 5.968 4.114 1.00 0.00 H new ATOM 1163 N HIS A 80 8.144 2.842 4.724 1.00 0.00 N ATOM 1164 CA HIS A 80 6.774 2.366 4.875 1.00 0.00 C ATOM 1165 C HIS A 80 5.820 3.529 5.130 1.00 0.00 C ATOM 1166 O HIS A 80 4.870 3.743 4.375 1.00 0.00 O ATOM 1167 CB HIS A 80 6.685 1.358 6.021 1.00 0.00 C ATOM 1168 CG HIS A 80 5.279 1.021 6.415 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.319 1.774 7.000 1.00 0.00 N flip ATOM 1170 CD2 HIS A 80 4.720 -0.224 6.216 1.00 0.00 C flip ATOM 1171 CE1 HIS A 80 3.208 0.979 7.141 1.00 0.00 C flip ATOM 1172 NE2 HIS A 80 3.476 -0.222 6.660 1.00 0.00 N flip ATOM 0 H HIS A 80 8.813 2.412 5.363 1.00 0.00 H new ATOM 0 HA HIS A 80 6.482 1.876 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.201 0.443 5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.210 1.759 6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.221 -1.069 5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.268 1.286 7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.832 -1.013 6.636 1.00 0.00 H new ATOM 1181 N ASP A 81 6.078 4.277 6.197 1.00 0.00 N ATOM 1182 CA ASP A 81 5.242 5.418 6.551 1.00 0.00 C ATOM 1183 C ASP A 81 4.853 6.213 5.308 1.00 0.00 C ATOM 1184 O ASP A 81 3.680 6.274 4.941 1.00 0.00 O ATOM 1185 CB ASP A 81 5.973 6.324 7.543 1.00 0.00 C ATOM 1186 CG ASP A 81 5.441 7.744 7.531 1.00 0.00 C ATOM 1187 OD1 ASP A 81 4.212 7.919 7.668 1.00 0.00 O ATOM 1188 OD2 ASP A 81 6.254 8.680 7.385 1.00 0.00 O ATOM 0 H ASP A 81 6.859 4.114 6.832 1.00 0.00 H new ATOM 0 HA ASP A 81 4.332 5.040 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.876 5.911 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.037 6.336 7.304 1.00 0.00 H new ATOM 1193 N GLN A 82 5.846 6.822 4.667 1.00 0.00 N ATOM 1194 CA GLN A 82 5.606 7.614 3.467 1.00 0.00 C ATOM 1195 C GLN A 82 4.661 6.889 2.515 1.00 0.00 C ATOM 1196 O GLN A 82 3.620 7.423 2.131 1.00 0.00 O ATOM 1197 CB GLN A 82 6.928 7.918 2.758 1.00 0.00 C ATOM 1198 CG GLN A 82 6.924 9.237 2.003 1.00 0.00 C ATOM 1199 CD GLN A 82 8.317 9.804 1.811 1.00 0.00 C ATOM 1200 OE1 GLN A 82 8.744 10.065 0.686 1.00 0.00 O ATOM 1201 NE2 GLN A 82 9.033 9.999 2.912 1.00 0.00 N ATOM 0 H GLN A 82 6.823 6.782 4.958 1.00 0.00 H new ATOM 0 HA GLN A 82 5.139 8.551 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.731 7.933 3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.151 7.110 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.457 9.092 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.313 9.959 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.639 9.768 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.977 10.379 2.846 1.00 0.00 H new ATOM 1210 N VAL A 83 5.030 5.669 2.137 1.00 0.00 N ATOM 1211 CA VAL A 83 4.215 4.870 1.230 1.00 0.00 C ATOM 1212 C VAL A 83 2.742 4.927 1.621 1.00 0.00 C ATOM 1213 O VAL A 83 1.894 5.339 0.829 1.00 0.00 O ATOM 1214 CB VAL A 83 4.673 3.400 1.212 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.590 2.510 0.620 1.00 0.00 C ATOM 1216 CG2 VAL A 83 5.974 3.257 0.437 1.00 0.00 C ATOM 0 H VAL A 83 5.889 5.213 2.445 1.00 0.00 H new ATOM 0 HA VAL A 83 4.341 5.294 0.234 1.00 0.00 H new ATOM 0 HB VAL A 83 4.851 3.081 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.932 1.475 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.684 2.590 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.377 2.826 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.283 2.212 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.825 3.594 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.747 3.863 0.909 1.00 0.00 H new ATOM 1226 N VAL A 84 2.444 4.511 2.848 1.00 0.00 N ATOM 1227 CA VAL A 84 1.074 4.516 3.345 1.00 0.00 C ATOM 1228 C VAL A 84 0.368 5.822 2.998 1.00 0.00 C ATOM 1229 O VAL A 84 -0.780 5.821 2.552 1.00 0.00 O ATOM 1230 CB VAL A 84 1.030 4.311 4.871 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -0.403 4.378 5.378 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.677 2.987 5.249 1.00 0.00 C ATOM 0 H VAL A 84 3.134 4.166 3.516 1.00 0.00 H new ATOM 0 HA VAL A 84 0.558 3.688 2.859 1.00 0.00 H new ATOM 0 HB VAL A 84 1.595 5.114 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.414 4.231 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.828 5.353 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.995 3.598 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.637 2.858 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.141 2.169 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.717 2.983 4.921 1.00 0.00 H new ATOM 1242 N LEU A 85 1.062 6.936 3.205 1.00 0.00 N ATOM 1243 CA LEU A 85 0.502 8.251 2.913 1.00 0.00 C ATOM 1244 C LEU A 85 0.398 8.477 1.409 1.00 0.00 C ATOM 1245 O LEU A 85 -0.429 9.262 0.944 1.00 0.00 O ATOM 1246 CB LEU A 85 1.363 9.345 3.547 1.00 0.00 C ATOM 1247 CG LEU A 85 1.002 9.738 4.980 1.00 0.00 C ATOM 1248 CD1 LEU A 85 1.299 8.594 5.938 1.00 0.00 C ATOM 1249 CD2 LEU A 85 1.755 10.993 5.395 1.00 0.00 C ATOM 0 H LEU A 85 2.013 6.955 3.574 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.501 8.294 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.402 9.016 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.302 10.235 2.921 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.066 9.950 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.036 8.892 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.714 7.720 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.360 8.350 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.486 11.258 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.828 10.809 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.492 11.813 4.727 1.00 0.00 H new ATOM 1261 N PHE A 86 1.242 7.784 0.652 1.00 0.00 N ATOM 1262 CA PHE A 86 1.245 7.908 -0.801 1.00 0.00 C ATOM 1263 C PHE A 86 -0.107 7.506 -1.384 1.00 0.00 C ATOM 1264 O PHE A 86 -0.755 8.291 -2.076 1.00 0.00 O ATOM 1265 CB PHE A 86 2.351 7.041 -1.406 1.00 0.00 C ATOM 1266 CG PHE A 86 2.722 7.435 -2.808 1.00 0.00 C ATOM 1267 CD1 PHE A 86 1.870 7.163 -3.866 1.00 0.00 C ATOM 1268 CD2 PHE A 86 3.922 8.077 -3.067 1.00 0.00 C ATOM 1269 CE1 PHE A 86 2.209 7.524 -5.156 1.00 0.00 C ATOM 1270 CE2 PHE A 86 4.267 8.440 -4.355 1.00 0.00 C ATOM 1271 CZ PHE A 86 3.408 8.164 -5.401 1.00 0.00 C ATOM 0 H PHE A 86 1.933 7.130 1.021 1.00 0.00 H new ATOM 0 HA PHE A 86 1.433 8.952 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.237 7.102 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.028 6.000 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.931 6.663 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.596 8.296 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.537 7.306 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.206 8.938 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.674 8.448 -6.409 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.526 6.277 -1.099 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.800 5.771 -1.594 1.00 0.00 C ATOM 1283 C ILE A 87 -2.969 6.548 -0.997 1.00 0.00 C ATOM 1284 O ILE A 87 -3.977 6.783 -1.664 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.974 4.275 -1.272 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.804 3.469 -1.839 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -3.295 3.764 -1.827 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.542 2.179 -1.094 1.00 0.00 C ATOM 0 H ILE A 87 -0.002 5.614 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.794 5.903 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.985 4.151 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.004 3.240 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.096 4.083 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.403 2.705 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.118 4.322 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.312 3.899 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.301 1.660 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.310 2.401 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.427 1.545 -1.141 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.827 6.946 0.262 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.869 7.699 0.949 1.00 0.00 C ATOM 1302 C LYS A 88 -4.207 8.978 0.189 1.00 0.00 C ATOM 1303 O LYS A 88 -5.375 9.335 0.045 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.424 8.042 2.373 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.659 6.921 3.370 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.831 7.457 4.782 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.560 8.123 5.284 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.568 8.287 6.764 1.00 0.00 N ATOM 0 H LYS A 88 -1.999 6.759 0.828 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.763 7.077 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.363 8.292 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.958 8.932 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.547 6.358 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.819 6.227 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.651 8.174 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.104 6.641 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.697 7.527 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.450 9.099 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.685 8.745 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.377 8.877 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.647 7.354 7.216 1.00 0.00 H new ATOM 1322 N ALA A 89 -3.176 9.662 -0.296 1.00 0.00 N ATOM 1323 CA ALA A 89 -3.365 10.899 -1.045 1.00 0.00 C ATOM 1324 C ALA A 89 -4.560 10.794 -1.986 1.00 0.00 C ATOM 1325 O ALA A 89 -5.371 11.715 -2.079 1.00 0.00 O ATOM 1326 CB ALA A 89 -2.104 11.241 -1.825 1.00 0.00 C ATOM 0 H ALA A 89 -2.202 9.381 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.567 11.699 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.259 12.167 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.271 11.368 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.877 10.434 -2.522 1.00 0.00 H new ATOM 1429 N GLU A 97 -7.895 6.547 -10.742 1.00 0.00 N ATOM 1430 CA GLU A 97 -7.912 5.141 -10.354 1.00 0.00 C ATOM 1431 C GLU A 97 -6.605 4.749 -9.672 1.00 0.00 C ATOM 1432 O GLU A 97 -5.650 5.527 -9.639 1.00 0.00 O ATOM 1433 CB GLU A 97 -8.147 4.254 -11.579 1.00 0.00 C ATOM 1434 CG GLU A 97 -6.939 4.149 -12.495 1.00 0.00 C ATOM 1435 CD GLU A 97 -7.313 3.760 -13.912 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -8.158 2.857 -14.076 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -6.760 4.361 -14.857 1.00 0.00 O ATOM 0 HA GLU A 97 -8.728 4.995 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.427 3.255 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.990 4.649 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.416 5.105 -12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.245 3.412 -12.091 1.00 0.00 H new ATOM 1444 N LEU A 98 -6.568 3.537 -9.128 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.379 3.040 -8.446 1.00 0.00 C ATOM 1446 C LEU A 98 -4.764 1.869 -9.205 1.00 0.00 C ATOM 1447 O LEU A 98 -5.311 0.767 -9.214 1.00 0.00 O ATOM 1448 CB LEU A 98 -5.727 2.611 -7.019 1.00 0.00 C ATOM 1449 CG LEU A 98 -4.551 2.489 -6.049 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.038 3.865 -5.656 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -4.958 1.696 -4.815 1.00 0.00 C ATOM 0 H LEU A 98 -7.348 2.881 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.648 3.848 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.438 3.328 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.236 1.648 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.745 1.954 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.201 3.758 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.707 4.398 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.837 4.427 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.109 1.619 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.781 2.203 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.276 0.697 -5.113 1.00 0.00 H new ATOM 1463 N MET A 99 -3.623 2.116 -9.840 1.00 0.00 N ATOM 1464 CA MET A 99 -2.932 1.081 -10.600 1.00 0.00 C ATOM 1465 C MET A 99 -1.655 0.645 -9.888 1.00 0.00 C ATOM 1466 O MET A 99 -0.622 1.310 -9.982 1.00 0.00 O ATOM 1467 CB MET A 99 -2.599 1.586 -12.005 1.00 0.00 C ATOM 1468 CG MET A 99 -3.825 1.818 -12.874 1.00 0.00 C ATOM 1469 SD MET A 99 -3.418 2.562 -14.465 1.00 0.00 S ATOM 1470 CE MET A 99 -3.716 1.184 -15.570 1.00 0.00 C ATOM 0 H MET A 99 -3.158 3.024 -9.843 1.00 0.00 H new ATOM 0 HA MET A 99 -3.595 0.220 -10.679 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.040 2.518 -11.924 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.947 0.864 -12.497 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.332 0.868 -13.041 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.525 2.464 -12.344 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.507 1.488 -16.596 1.00 0.00 H new ATOM 0 HE2 MET A 99 -3.065 0.353 -15.299 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.757 0.871 -15.489 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.732 -0.474 -9.177 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.582 -0.999 -8.449 1.00 0.00 C ATOM 1482 C LEU A 100 0.032 -2.186 -9.184 1.00 0.00 C ATOM 1483 O LEU A 100 -0.651 -3.167 -9.480 1.00 0.00 O ATOM 1484 CB LEU A 100 -0.996 -1.417 -7.037 1.00 0.00 C ATOM 1485 CG LEU A 100 -2.037 -0.531 -6.352 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -2.788 -1.316 -5.287 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.376 0.698 -5.745 1.00 0.00 C ATOM 0 H LEU A 100 -2.579 -1.036 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 100 0.167 -0.210 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.386 -2.434 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.104 -1.444 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.754 -0.199 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.525 -0.669 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.294 -2.164 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.084 -1.678 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.132 1.317 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.637 0.386 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.885 1.272 -6.531 1.00 0.00 H new ATOM 1499 N LEU A 101 1.325 -2.091 -9.472 1.00 0.00 N ATOM 1500 CA LEU A 101 2.033 -3.158 -10.171 1.00 0.00 C ATOM 1501 C LEU A 101 2.629 -4.155 -9.181 1.00 0.00 C ATOM 1502 O LEU A 101 3.679 -3.906 -8.589 1.00 0.00 O ATOM 1503 CB LEU A 101 3.139 -2.573 -11.051 1.00 0.00 C ATOM 1504 CG LEU A 101 3.681 -3.491 -12.147 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.653 -3.666 -13.254 1.00 0.00 C ATOM 1506 CD2 LEU A 101 4.983 -2.939 -12.709 1.00 0.00 C ATOM 0 H LEU A 101 1.905 -1.287 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 101 1.316 -3.684 -10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.760 -1.665 -11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.969 -2.278 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 101 3.883 -4.468 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.057 -4.322 -14.025 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.745 -4.106 -12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.419 -2.695 -13.690 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.354 -3.605 -13.488 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.807 -1.950 -13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.722 -2.866 -11.911 1.00 0.00 H new ATOM 1518 N VAL A 102 1.952 -5.286 -9.008 1.00 0.00 N ATOM 1519 CA VAL A 102 2.416 -6.322 -8.093 1.00 0.00 C ATOM 1520 C VAL A 102 3.045 -7.485 -8.853 1.00 0.00 C ATOM 1521 O VAL A 102 2.750 -7.703 -10.028 1.00 0.00 O ATOM 1522 CB VAL A 102 1.265 -6.856 -7.220 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.503 -5.706 -6.579 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.333 -7.730 -8.045 1.00 0.00 C ATOM 0 H VAL A 102 1.081 -5.508 -9.489 1.00 0.00 H new ATOM 0 HA VAL A 102 3.167 -5.863 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 102 1.689 -7.467 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.306 -6.103 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.180 -5.124 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.088 -5.066 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.475 -8.099 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.086 -7.144 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.890 -8.574 -8.451 1.00 0.00 H new ATOM 1534 N ARG A 103 3.911 -8.229 -8.173 1.00 0.00 N ATOM 1535 CA ARG A 103 4.583 -9.370 -8.784 1.00 0.00 C ATOM 1536 C ARG A 103 3.932 -10.680 -8.349 1.00 0.00 C ATOM 1537 O ARG A 103 3.604 -10.880 -7.180 1.00 0.00 O ATOM 1538 CB ARG A 103 6.066 -9.375 -8.411 1.00 0.00 C ATOM 1539 CG ARG A 103 6.906 -10.308 -9.269 1.00 0.00 C ATOM 1540 CD ARG A 103 8.305 -10.480 -8.699 1.00 0.00 C ATOM 1541 NE ARG A 103 9.261 -10.913 -9.714 1.00 0.00 N ATOM 1542 CZ ARG A 103 10.410 -11.518 -9.432 1.00 0.00 C ATOM 1543 NH1 ARG A 103 10.743 -11.760 -8.172 1.00 0.00 N ATOM 1544 NH2 ARG A 103 11.227 -11.883 -10.412 1.00 0.00 N ATOM 0 H ARG A 103 4.164 -8.062 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 103 4.489 -9.280 -9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.458 -8.362 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.168 -9.666 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.418 -11.280 -9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.971 -9.912 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.638 -9.537 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.279 -11.210 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 103 9.034 -10.742 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.117 -11.482 -7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.625 -12.225 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.973 -11.699 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.109 -12.347 -10.195 1.00 0.00 H new ATOM 1558 N PRO A 104 3.741 -11.594 -9.312 1.00 0.00 N ATOM 1559 CA PRO A 104 3.129 -12.900 -9.053 1.00 0.00 C ATOM 1560 C PRO A 104 4.034 -13.812 -8.231 1.00 0.00 C ATOM 1561 O PRO A 104 5.225 -13.544 -8.078 1.00 0.00 O ATOM 1562 CB PRO A 104 2.918 -13.478 -10.454 1.00 0.00 C ATOM 1563 CG PRO A 104 3.943 -12.803 -11.300 1.00 0.00 C ATOM 1564 CD PRO A 104 4.108 -11.423 -10.728 1.00 0.00 C ATOM 0 HA PRO A 104 2.211 -12.811 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.050 -14.560 -10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.910 -13.278 -10.817 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.886 -13.349 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.622 -12.758 -12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.131 -11.062 -10.837 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.461 -10.701 -11.226 1.00 0.00 H new