USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 17 ASN : amide:sc= -2.6 K(o=-10,f=-16!) USER MOD Set 1.2: A 19 ASN :FLIP amide:sc= -7.39! C(o=-11!,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.166) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0648 (180deg=-0.382) USER MOD Single : A 31 GLN : amide:sc= 0.615 K(o=0.61,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 40 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.02) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= -0.588 (180deg=-0.605) USER MOD Single : A 50 CYS SG : rot -112:sc= 0.996 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -70:sc= -0.684 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.434 (180deg=-0.908) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -98:sc= -0.0872 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.65! C(o=-2.7!,f=-2.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.39) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -3.39 K(o=-3.4,f=-5.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.04) USER MOD Single : A 92 HIS : no HD1:sc= -4.96! C(o=-5!,f=-6.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 77:sc= -0.0105 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 108 GLN : amide:sc= -4.41! C(o=-4.4!,f=-8.3!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 115 MET CE :methyl -175:sc= -0.528 (180deg=-0.719) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.765 3.498 -7.359 1.00 0.00 N ATOM 177 CA LYS A 15 -12.520 2.388 -6.791 1.00 0.00 C ATOM 178 C LYS A 15 -11.981 1.051 -7.290 1.00 0.00 C ATOM 179 O LYS A 15 -11.130 1.007 -8.179 1.00 0.00 O ATOM 180 CB LYS A 15 -14.003 2.517 -7.146 1.00 0.00 C ATOM 181 CG LYS A 15 -14.288 2.358 -8.629 1.00 0.00 C ATOM 182 CD LYS A 15 -15.670 1.774 -8.872 1.00 0.00 C ATOM 183 CE LYS A 15 -16.726 2.865 -8.975 1.00 0.00 C ATOM 184 NZ LYS A 15 -17.859 2.459 -9.851 1.00 0.00 N ATOM 0 HA LYS A 15 -12.408 2.423 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.567 1.766 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.363 3.492 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.210 3.327 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.534 1.711 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.662 1.186 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.926 1.093 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.103 3.101 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.271 3.775 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.557 3.229 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.504 2.258 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.309 1.606 -9.463 1.00 0.00 H new ATOM 198 N ARG A 16 -12.484 -0.036 -6.715 1.00 0.00 N ATOM 199 CA ARG A 16 -12.053 -1.374 -7.102 1.00 0.00 C ATOM 200 C ARG A 16 -12.977 -1.956 -8.168 1.00 0.00 C ATOM 201 O ARG A 16 -14.199 -1.905 -8.038 1.00 0.00 O ATOM 202 CB ARG A 16 -12.020 -2.296 -5.882 1.00 0.00 C ATOM 203 CG ARG A 16 -11.715 -3.746 -6.222 1.00 0.00 C ATOM 204 CD ARG A 16 -10.219 -3.984 -6.357 1.00 0.00 C ATOM 205 NE ARG A 16 -9.846 -5.346 -5.985 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.223 -6.423 -6.665 1.00 0.00 C ATOM 207 NH1 ARG A 16 -10.980 -6.296 -7.747 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.843 -7.629 -6.264 1.00 0.00 N ATOM 0 H ARG A 16 -13.190 -0.017 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.048 -1.298 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.269 -1.930 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.983 -2.246 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.119 -4.396 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.213 -4.015 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.913 -3.792 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.681 -3.276 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.264 -5.478 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.274 -5.370 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.268 -7.124 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.261 -7.730 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.133 -8.455 -6.787 1.00 0.00 H new ATOM 222 N ASN A 17 -12.384 -2.507 -9.222 1.00 0.00 N ATOM 223 CA ASN A 17 -13.154 -3.098 -10.310 1.00 0.00 C ATOM 224 C ASN A 17 -13.154 -4.620 -10.214 1.00 0.00 C ATOM 225 O ASN A 17 -12.106 -5.267 -10.219 1.00 0.00 O ATOM 226 CB ASN A 17 -12.585 -2.661 -11.661 1.00 0.00 C ATOM 227 CG ASN A 17 -13.647 -2.590 -12.741 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.571 -3.403 -12.773 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.519 -1.615 -13.634 1.00 0.00 N ATOM 0 H ASN A 17 -11.373 -2.556 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.183 -2.747 -10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.113 -1.684 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.806 -3.359 -11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.203 -1.518 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.737 -0.963 -13.569 1.00 0.00 H new ATOM 236 N PRO A 18 -14.356 -5.208 -10.124 1.00 0.00 N ATOM 237 CA PRO A 18 -14.522 -6.661 -10.026 1.00 0.00 C ATOM 238 C PRO A 18 -14.161 -7.374 -11.325 1.00 0.00 C ATOM 239 O PRO A 18 -13.990 -8.592 -11.348 1.00 0.00 O ATOM 240 CB PRO A 18 -16.012 -6.828 -9.720 1.00 0.00 C ATOM 241 CG PRO A 18 -16.653 -5.604 -10.277 1.00 0.00 C ATOM 242 CD PRO A 18 -15.647 -4.499 -10.112 1.00 0.00 C ATOM 0 HA PRO A 18 -13.867 -7.096 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.412 -7.730 -10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.189 -6.914 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.912 -5.742 -11.327 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.578 -5.372 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.713 -3.771 -10.921 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.798 -3.954 -9.180 1.00 0.00 H new ATOM 250 N ASN A 19 -14.046 -6.607 -12.404 1.00 0.00 N ATOM 251 CA ASN A 19 -13.706 -7.167 -13.707 1.00 0.00 C ATOM 252 C ASN A 19 -12.195 -7.180 -13.915 1.00 0.00 C ATOM 253 O ASN A 19 -11.654 -8.083 -14.553 1.00 0.00 O ATOM 254 CB ASN A 19 -14.378 -6.364 -14.822 1.00 0.00 C ATOM 255 CG ASN A 19 -13.547 -5.173 -15.259 1.00 0.00 C ATOM 256 OD1 ASN A 19 -14.122 -3.980 -15.156 1.00 0.00 O flip ATOM 257 ND2 ASN A 19 -12.401 -5.324 -15.683 1.00 0.00 N flip ATOM 0 H ASN A 19 -14.183 -5.596 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.069 -8.194 -13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.554 -7.014 -15.679 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.353 -6.017 -14.479 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.999 -6.260 -15.745 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.853 -4.514 -15.972 1.00 0.00 H new ATOM 264 N ALA A 20 -11.519 -6.173 -13.371 1.00 0.00 N ATOM 265 CA ALA A 20 -10.070 -6.070 -13.495 1.00 0.00 C ATOM 266 C ALA A 20 -9.372 -7.168 -12.699 1.00 0.00 C ATOM 267 O ALA A 20 -9.669 -7.404 -11.528 1.00 0.00 O ATOM 268 CB ALA A 20 -9.597 -4.700 -13.034 1.00 0.00 C ATOM 0 H ALA A 20 -11.952 -5.417 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.810 -6.197 -14.546 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.513 -4.637 -13.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.062 -3.929 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.876 -4.551 -11.991 1.00 0.00 H new ATOM 274 N PRO A 21 -8.422 -7.857 -13.348 1.00 0.00 N ATOM 275 CA PRO A 21 -7.662 -8.942 -12.720 1.00 0.00 C ATOM 276 C PRO A 21 -6.701 -8.433 -11.651 1.00 0.00 C ATOM 277 O PRO A 21 -6.034 -7.415 -11.835 1.00 0.00 O ATOM 278 CB PRO A 21 -6.886 -9.554 -13.888 1.00 0.00 C ATOM 279 CG PRO A 21 -6.763 -8.451 -14.882 1.00 0.00 C ATOM 280 CD PRO A 21 -8.015 -7.630 -14.745 1.00 0.00 C ATOM 0 HA PRO A 21 -8.312 -9.649 -12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.906 -9.910 -13.569 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.414 -10.409 -14.309 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.877 -7.847 -14.687 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.664 -8.846 -15.893 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.827 -6.575 -14.942 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.785 -7.953 -15.445 1.00 0.00 H new ATOM 288 N VAL A 22 -6.634 -9.148 -10.532 1.00 0.00 N ATOM 289 CA VAL A 22 -5.753 -8.769 -9.434 1.00 0.00 C ATOM 290 C VAL A 22 -4.292 -8.797 -9.867 1.00 0.00 C ATOM 291 O VAL A 22 -3.724 -9.863 -10.109 1.00 0.00 O ATOM 292 CB VAL A 22 -5.936 -9.701 -8.221 1.00 0.00 C ATOM 293 CG1 VAL A 22 -4.909 -9.384 -7.145 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.350 -9.588 -7.671 1.00 0.00 C ATOM 0 H VAL A 22 -7.180 -9.993 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.024 -7.753 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.779 -10.729 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.054 -10.052 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.906 -9.521 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.031 -8.351 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.462 -10.253 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.538 -8.561 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.065 -9.869 -8.444 1.00 0.00 H new ATOM 304 N THR A 23 -3.686 -7.618 -9.963 1.00 0.00 N ATOM 305 CA THR A 23 -2.290 -7.506 -10.368 1.00 0.00 C ATOM 306 C THR A 23 -1.378 -8.267 -9.412 1.00 0.00 C ATOM 307 O THR A 23 -0.458 -8.965 -9.838 1.00 0.00 O ATOM 308 CB THR A 23 -1.839 -6.035 -10.428 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.738 -5.280 -11.248 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.426 -5.924 -10.982 1.00 0.00 C ATOM 0 H THR A 23 -4.140 -6.726 -9.766 1.00 0.00 H new ATOM 0 HA THR A 23 -2.213 -7.942 -11.364 1.00 0.00 H new ATOM 0 HB THR A 23 -1.848 -5.634 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.445 -4.345 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.129 -4.876 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.261 -6.475 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.396 -6.341 -11.989 1.00 0.00 H new ATOM 318 N LYS A 24 -1.640 -8.129 -8.116 1.00 0.00 N ATOM 319 CA LYS A 24 -0.844 -8.804 -7.099 1.00 0.00 C ATOM 320 C LYS A 24 -1.447 -8.601 -5.712 1.00 0.00 C ATOM 321 O LYS A 24 -1.788 -7.482 -5.332 1.00 0.00 O ATOM 322 CB LYS A 24 0.596 -8.286 -7.120 1.00 0.00 C ATOM 323 CG LYS A 24 1.587 -9.213 -6.438 1.00 0.00 C ATOM 324 CD LYS A 24 2.897 -8.505 -6.136 1.00 0.00 C ATOM 325 CE LYS A 24 3.764 -9.318 -5.187 1.00 0.00 C ATOM 326 NZ LYS A 24 4.149 -10.631 -5.776 1.00 0.00 N ATOM 0 H LYS A 24 -2.398 -7.555 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.843 -9.870 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.904 -8.137 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.629 -7.311 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.155 -9.591 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.778 -10.076 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.439 -8.329 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.691 -7.529 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.663 -8.752 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.226 -9.482 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.859 -11.089 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.309 -11.240 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.549 -10.482 -6.725 1.00 0.00 H new ATOM 340 N ALA A 25 -1.575 -9.691 -4.962 1.00 0.00 N ATOM 341 CA ALA A 25 -2.134 -9.631 -3.617 1.00 0.00 C ATOM 342 C ALA A 25 -1.240 -10.359 -2.619 1.00 0.00 C ATOM 343 O ALA A 25 -0.648 -11.389 -2.937 1.00 0.00 O ATOM 344 CB ALA A 25 -3.536 -10.221 -3.602 1.00 0.00 C ATOM 0 H ALA A 25 -1.299 -10.626 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.190 -8.584 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.941 -10.170 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.176 -9.655 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.496 -11.261 -3.925 1.00 0.00 H new ATOM 350 N GLY A 26 -1.147 -9.815 -1.409 1.00 0.00 N ATOM 351 CA GLY A 26 -0.323 -10.426 -0.383 1.00 0.00 C ATOM 352 C GLY A 26 -0.403 -9.690 0.940 1.00 0.00 C ATOM 353 O GLY A 26 -0.557 -8.469 0.970 1.00 0.00 O ATOM 0 H GLY A 26 -1.628 -8.962 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.635 -11.460 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.713 -10.450 -0.720 1.00 0.00 H new ATOM 357 N TRP A 27 -0.301 -10.433 2.036 1.00 0.00 N ATOM 358 CA TRP A 27 -0.365 -9.843 3.368 1.00 0.00 C ATOM 359 C TRP A 27 0.912 -9.074 3.685 1.00 0.00 C ATOM 360 O TRP A 27 1.953 -9.669 3.970 1.00 0.00 O ATOM 361 CB TRP A 27 -0.595 -10.931 4.419 1.00 0.00 C ATOM 362 CG TRP A 27 -2.025 -11.368 4.520 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.594 -12.454 3.918 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.066 -10.728 5.265 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.927 -12.527 4.244 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.241 -11.480 5.070 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.121 -9.593 6.079 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.454 -11.133 5.659 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.325 -9.250 6.663 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.478 -10.017 6.451 1.00 0.00 C ATOM 0 H TRP A 27 -0.174 -11.445 2.029 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.201 -9.144 3.389 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.025 -11.795 4.179 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.266 -10.563 5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.073 -13.152 3.280 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.577 -13.244 3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.238 -8.995 6.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.344 -11.723 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.378 -8.375 7.294 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.404 -9.722 6.922 1.00 0.00 H new ATOM 381 N LEU A 28 0.828 -7.749 3.633 1.00 0.00 N ATOM 382 CA LEU A 28 1.979 -6.898 3.916 1.00 0.00 C ATOM 383 C LEU A 28 1.790 -6.144 5.228 1.00 0.00 C ATOM 384 O LEU A 28 0.722 -6.198 5.839 1.00 0.00 O ATOM 385 CB LEU A 28 2.197 -5.907 2.771 1.00 0.00 C ATOM 386 CG LEU A 28 2.950 -6.443 1.553 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.791 -5.500 0.370 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.422 -6.644 1.882 1.00 0.00 C ATOM 0 H LEU A 28 -0.025 -7.241 3.398 1.00 0.00 H new ATOM 0 HA LEU A 28 2.858 -7.536 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.224 -5.545 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.742 -5.047 3.160 1.00 0.00 H new ATOM 0 HG LEU A 28 2.523 -7.409 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.334 -5.898 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.734 -5.406 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.191 -4.520 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.942 -7.026 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.862 -5.692 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.518 -7.358 2.700 1.00 0.00 H new ATOM 400 N PHE A 29 2.833 -5.440 5.655 1.00 0.00 N ATOM 401 CA PHE A 29 2.781 -4.673 6.895 1.00 0.00 C ATOM 402 C PHE A 29 2.917 -3.179 6.616 1.00 0.00 C ATOM 403 O PHE A 29 3.944 -2.719 6.117 1.00 0.00 O ATOM 404 CB PHE A 29 3.889 -5.129 7.847 1.00 0.00 C ATOM 405 CG PHE A 29 3.691 -6.521 8.374 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.928 -7.622 7.566 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.269 -6.730 9.677 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.748 -8.905 8.048 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.087 -8.010 10.164 1.00 0.00 C ATOM 410 CZ PHE A 29 3.326 -9.099 9.348 1.00 0.00 C ATOM 0 H PHE A 29 3.724 -5.384 5.161 1.00 0.00 H new ATOM 0 HA PHE A 29 1.813 -4.850 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.846 -5.078 7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.944 -4.436 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.257 -7.476 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.080 -5.883 10.319 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.937 -9.754 7.408 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.758 -8.159 11.182 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.183 -10.100 9.727 1.00 0.00 H new ATOM 420 N LYS A 30 1.872 -2.426 6.942 1.00 0.00 N ATOM 421 CA LYS A 30 1.872 -0.983 6.728 1.00 0.00 C ATOM 422 C LYS A 30 2.235 -0.243 8.012 1.00 0.00 C ATOM 423 O LYS A 30 1.446 -0.196 8.955 1.00 0.00 O ATOM 424 CB LYS A 30 0.501 -0.520 6.230 1.00 0.00 C ATOM 425 CG LYS A 30 0.527 0.840 5.556 1.00 0.00 C ATOM 426 CD LYS A 30 -0.760 1.109 4.793 1.00 0.00 C ATOM 427 CE LYS A 30 -1.080 2.595 4.746 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.443 3.126 6.089 1.00 0.00 N ATOM 0 H LYS A 30 1.014 -2.791 7.355 1.00 0.00 H new ATOM 0 HA LYS A 30 2.623 -0.753 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.111 -1.257 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.190 -0.486 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.675 1.616 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.374 0.892 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.670 0.723 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.583 0.573 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.218 3.140 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.903 2.768 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.012 3.989 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.994 2.412 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.577 3.348 6.620 1.00 0.00 H new ATOM 442 N GLN A 31 3.432 0.334 8.039 1.00 0.00 N ATOM 443 CA GLN A 31 3.897 1.072 9.208 1.00 0.00 C ATOM 444 C GLN A 31 2.835 2.054 9.690 1.00 0.00 C ATOM 445 O GLN A 31 2.089 2.618 8.890 1.00 0.00 O ATOM 446 CB GLN A 31 5.191 1.820 8.882 1.00 0.00 C ATOM 447 CG GLN A 31 6.098 2.019 10.085 1.00 0.00 C ATOM 448 CD GLN A 31 7.128 3.110 9.867 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.805 4.298 9.896 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.375 2.712 9.646 1.00 0.00 N ATOM 0 H GLN A 31 4.097 0.305 7.266 1.00 0.00 H new ATOM 0 HA GLN A 31 4.091 0.355 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.735 1.270 8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.942 2.794 8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.491 2.267 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.609 1.082 10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.598 1.717 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.111 3.402 9.492 1.00 0.00 H new ATOM 459 N ALA A 32 2.772 2.253 11.002 1.00 0.00 N ATOM 460 CA ALA A 32 1.802 3.168 11.590 1.00 0.00 C ATOM 461 C ALA A 32 2.004 4.589 11.073 1.00 0.00 C ATOM 462 O ALA A 32 3.044 5.203 11.309 1.00 0.00 O ATOM 463 CB ALA A 32 1.901 3.138 13.108 1.00 0.00 C ATOM 0 H ALA A 32 3.381 1.793 11.678 1.00 0.00 H new ATOM 0 HA ALA A 32 0.805 2.840 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.171 3.826 13.534 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.700 2.128 13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.903 3.438 13.413 1.00 0.00 H new ATOM 536 N GLN A 38 4.055 0.981 15.537 1.00 0.00 N ATOM 537 CA GLN A 38 3.962 -0.460 15.334 1.00 0.00 C ATOM 538 C GLN A 38 3.344 -0.780 13.977 1.00 0.00 C ATOM 539 O GLN A 38 2.346 -0.178 13.581 1.00 0.00 O ATOM 540 CB GLN A 38 3.134 -1.101 16.449 1.00 0.00 C ATOM 541 CG GLN A 38 1.633 -0.990 16.232 1.00 0.00 C ATOM 542 CD GLN A 38 0.833 -1.647 17.340 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.351 -1.904 18.427 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.437 -1.923 17.070 1.00 0.00 N ATOM 0 HA GLN A 38 4.971 -0.871 15.359 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.404 -2.154 16.532 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.391 -0.631 17.398 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.356 0.062 16.164 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.372 -1.450 15.279 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.826 -1.693 16.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.024 -2.365 17.777 1.00 0.00 H new ATOM 553 N TRP A 39 3.943 -1.731 13.270 1.00 0.00 N ATOM 554 CA TRP A 39 3.451 -2.131 11.956 1.00 0.00 C ATOM 555 C TRP A 39 2.146 -2.909 12.077 1.00 0.00 C ATOM 556 O TRP A 39 2.024 -3.810 12.906 1.00 0.00 O ATOM 557 CB TRP A 39 4.499 -2.978 11.233 1.00 0.00 C ATOM 558 CG TRP A 39 5.832 -2.302 11.114 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.730 -2.080 12.118 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.414 -1.758 9.925 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.836 -1.431 11.625 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.667 -1.222 10.281 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.999 -1.672 8.593 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.506 -0.610 9.354 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.833 -1.064 7.674 1.00 0.00 C ATOM 566 CH2 TRP A 39 8.075 -0.540 8.057 1.00 0.00 C ATOM 0 H TRP A 39 4.770 -2.240 13.584 1.00 0.00 H new ATOM 0 HA TRP A 39 3.261 -1.228 11.376 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.624 -3.921 11.766 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.133 -3.222 10.236 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.591 -2.372 13.149 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.651 -1.150 12.171 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.044 -2.073 8.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.463 -0.205 9.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.522 -0.991 6.642 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.704 -0.072 7.314 1.00 0.00 H new ATOM 577 N ASN A 40 1.172 -2.556 11.245 1.00 0.00 N ATOM 578 CA ASN A 40 -0.126 -3.222 11.260 1.00 0.00 C ATOM 579 C ASN A 40 -0.295 -4.111 10.032 1.00 0.00 C ATOM 580 O ASN A 40 -0.229 -3.639 8.896 1.00 0.00 O ATOM 581 CB ASN A 40 -1.252 -2.188 11.314 1.00 0.00 C ATOM 582 CG ASN A 40 -1.483 -1.657 12.716 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.581 -1.769 13.262 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.445 -1.075 13.306 1.00 0.00 N ATOM 0 H ASN A 40 1.256 -1.813 10.552 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.175 -3.849 12.150 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.012 -1.358 10.649 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.173 -2.638 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.540 -0.699 14.249 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.447 -1.004 12.816 1.00 0.00 H new ATOM 591 N LYS A 41 -0.514 -5.400 10.267 1.00 0.00 N ATOM 592 CA LYS A 41 -0.695 -6.356 9.182 1.00 0.00 C ATOM 593 C LYS A 41 -2.077 -6.210 8.552 1.00 0.00 C ATOM 594 O LYS A 41 -3.094 -6.261 9.245 1.00 0.00 O ATOM 595 CB LYS A 41 -0.507 -7.785 9.697 1.00 0.00 C ATOM 596 CG LYS A 41 -0.167 -8.785 8.605 1.00 0.00 C ATOM 597 CD LYS A 41 -0.111 -10.204 9.146 1.00 0.00 C ATOM 598 CE LYS A 41 -0.096 -11.229 8.023 1.00 0.00 C ATOM 599 NZ LYS A 41 1.186 -11.203 7.265 1.00 0.00 N ATOM 0 H LYS A 41 -0.570 -5.807 11.201 1.00 0.00 H new ATOM 0 HA LYS A 41 0.056 -6.148 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.287 -7.792 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.420 -8.104 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.912 -8.726 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.794 -8.526 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.780 -10.325 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.971 -10.383 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.252 -12.225 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.924 -11.034 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.107 -11.816 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.391 -10.229 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.956 -11.545 7.874 1.00 0.00 H new ATOM 613 N ARG A 42 -2.106 -6.029 7.236 1.00 0.00 N ATOM 614 CA ARG A 42 -3.363 -5.875 6.513 1.00 0.00 C ATOM 615 C ARG A 42 -3.274 -6.507 5.127 1.00 0.00 C ATOM 616 O ARG A 42 -2.188 -6.637 4.562 1.00 0.00 O ATOM 617 CB ARG A 42 -3.727 -4.394 6.389 1.00 0.00 C ATOM 618 CG ARG A 42 -3.920 -3.700 7.727 1.00 0.00 C ATOM 619 CD ARG A 42 -5.296 -3.984 8.308 1.00 0.00 C ATOM 620 NE ARG A 42 -5.347 -3.724 9.744 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.511 -2.514 10.267 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.638 -1.458 9.475 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.547 -2.358 11.584 1.00 0.00 N ATOM 0 H ARG A 42 -1.273 -5.985 6.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.143 -6.387 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.942 -3.881 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.643 -4.301 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.153 -4.034 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.791 -2.625 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.038 -3.367 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.562 -5.024 8.118 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.251 -4.515 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.610 -1.574 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.764 -0.530 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.449 -3.168 12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.673 -1.428 11.984 1.00 0.00 H new ATOM 637 N TRP A 43 -4.423 -6.897 4.586 1.00 0.00 N ATOM 638 CA TRP A 43 -4.474 -7.515 3.266 1.00 0.00 C ATOM 639 C TRP A 43 -4.285 -6.474 2.169 1.00 0.00 C ATOM 640 O TRP A 43 -5.044 -5.508 2.079 1.00 0.00 O ATOM 641 CB TRP A 43 -5.806 -8.242 3.073 1.00 0.00 C ATOM 642 CG TRP A 43 -5.902 -8.968 1.765 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.817 -8.753 0.773 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.054 -10.027 1.308 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.587 -9.615 -0.272 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.511 -10.406 0.031 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.951 -10.690 1.853 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.904 -11.418 -0.707 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.350 -11.695 1.119 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.826 -12.051 -0.149 1.00 0.00 C ATOM 0 H TRP A 43 -5.331 -6.796 5.040 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.660 -8.237 3.198 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.944 -8.954 3.887 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.619 -7.519 3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.605 -8.015 0.806 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.130 -9.659 -1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.575 -10.422 2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.270 -11.694 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.498 -12.215 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.333 -12.840 -0.697 1.00 0.00 H new ATOM 661 N PHE A 44 -3.270 -6.675 1.336 1.00 0.00 N ATOM 662 CA PHE A 44 -2.981 -5.752 0.245 1.00 0.00 C ATOM 663 C PHE A 44 -3.377 -6.357 -1.099 1.00 0.00 C ATOM 664 O PHE A 44 -3.088 -7.521 -1.378 1.00 0.00 O ATOM 665 CB PHE A 44 -1.495 -5.389 0.235 1.00 0.00 C ATOM 666 CG PHE A 44 -1.159 -4.215 1.110 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.712 -4.096 2.375 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.289 -3.231 0.668 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.405 -3.016 3.181 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.022 -2.149 1.470 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.536 -2.043 2.729 1.00 0.00 C ATOM 0 H PHE A 44 -2.633 -7.470 1.396 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.568 -4.847 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.916 -6.253 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.190 -5.169 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.390 -4.855 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.151 -3.311 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.845 -2.933 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.700 -1.388 1.113 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.293 -1.200 3.359 1.00 0.00 H new ATOM 681 N VAL A 45 -4.042 -5.559 -1.928 1.00 0.00 N ATOM 682 CA VAL A 45 -4.478 -6.014 -3.243 1.00 0.00 C ATOM 683 C VAL A 45 -4.270 -4.932 -4.296 1.00 0.00 C ATOM 684 O VAL A 45 -4.707 -3.793 -4.127 1.00 0.00 O ATOM 685 CB VAL A 45 -5.962 -6.425 -3.230 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.409 -6.855 -4.619 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.199 -7.535 -2.218 1.00 0.00 C ATOM 0 H VAL A 45 -4.291 -4.594 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.870 -6.883 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.557 -5.561 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.460 -7.142 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.278 -6.027 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.810 -7.704 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.253 -7.813 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.594 -8.403 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.920 -7.186 -1.224 1.00 0.00 H new ATOM 697 N LEU A 46 -3.600 -5.295 -5.384 1.00 0.00 N ATOM 698 CA LEU A 46 -3.334 -4.354 -6.467 1.00 0.00 C ATOM 699 C LEU A 46 -4.254 -4.617 -7.655 1.00 0.00 C ATOM 700 O LEU A 46 -4.158 -5.654 -8.311 1.00 0.00 O ATOM 701 CB LEU A 46 -1.872 -4.455 -6.909 1.00 0.00 C ATOM 702 CG LEU A 46 -1.362 -3.325 -7.803 1.00 0.00 C ATOM 703 CD1 LEU A 46 -1.256 -2.028 -7.017 1.00 0.00 C ATOM 704 CD2 LEU A 46 -0.017 -3.693 -8.413 1.00 0.00 C ATOM 0 H LEU A 46 -3.231 -6.233 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.527 -3.347 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.246 -4.497 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.737 -5.399 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.077 -3.177 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.891 -1.235 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.238 -1.756 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.563 -2.161 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.331 -2.877 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.707 -3.869 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.124 -4.597 -9.012 1.00 0.00 H new ATOM 716 N VAL A 47 -5.146 -3.669 -7.926 1.00 0.00 N ATOM 717 CA VAL A 47 -6.082 -3.796 -9.037 1.00 0.00 C ATOM 718 C VAL A 47 -6.335 -2.446 -9.699 1.00 0.00 C ATOM 719 O VAL A 47 -6.409 -1.417 -9.028 1.00 0.00 O ATOM 720 CB VAL A 47 -7.427 -4.387 -8.573 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.524 -4.071 -9.577 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.303 -5.888 -8.360 1.00 0.00 C ATOM 0 H VAL A 47 -5.240 -2.805 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.626 -4.473 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.697 -3.929 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.466 -4.497 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.628 -2.990 -9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.265 -4.499 -10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.262 -6.289 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.010 -6.365 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.548 -6.086 -7.599 1.00 0.00 H new ATOM 732 N ASP A 48 -6.467 -2.458 -11.021 1.00 0.00 N ATOM 733 CA ASP A 48 -6.713 -1.235 -11.776 1.00 0.00 C ATOM 734 C ASP A 48 -5.599 -0.219 -11.543 1.00 0.00 C ATOM 735 O ASP A 48 -5.861 0.946 -11.243 1.00 0.00 O ATOM 736 CB ASP A 48 -8.062 -0.630 -11.383 1.00 0.00 C ATOM 737 CG ASP A 48 -8.578 0.353 -12.415 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.218 1.546 -12.331 1.00 0.00 O ATOM 739 OD2 ASP A 48 -9.342 -0.070 -13.307 1.00 0.00 O ATOM 0 H ASP A 48 -6.408 -3.301 -11.592 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.733 -1.489 -12.836 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.791 -1.430 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.964 -0.125 -10.422 1.00 0.00 H new ATOM 744 N ARG A 49 -4.356 -0.669 -11.681 1.00 0.00 N ATOM 745 CA ARG A 49 -3.203 0.200 -11.483 1.00 0.00 C ATOM 746 C ARG A 49 -3.355 1.024 -10.207 1.00 0.00 C ATOM 747 O ARG A 49 -3.164 2.241 -10.216 1.00 0.00 O ATOM 748 CB ARG A 49 -3.025 1.130 -12.685 1.00 0.00 C ATOM 749 CG ARG A 49 -1.577 1.501 -12.959 1.00 0.00 C ATOM 750 CD ARG A 49 -1.168 2.751 -12.195 1.00 0.00 C ATOM 751 NE ARG A 49 -2.060 3.875 -12.468 1.00 0.00 N ATOM 752 CZ ARG A 49 -1.988 4.621 -13.565 1.00 0.00 C ATOM 753 NH1 ARG A 49 -1.071 4.362 -14.487 1.00 0.00 N ATOM 754 NH2 ARG A 49 -2.835 5.627 -13.742 1.00 0.00 N ATOM 0 H ARG A 49 -4.122 -1.630 -11.929 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.319 -0.430 -11.385 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.442 0.650 -13.570 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.599 2.041 -12.517 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.928 0.672 -12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.438 1.665 -14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.169 2.539 -11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.148 3.024 -12.465 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.777 4.099 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.419 3.589 -14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.018 4.936 -15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.542 5.828 -13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.779 6.199 -14.585 1.00 0.00 H new ATOM 768 N CYS A 50 -3.700 0.353 -9.114 1.00 0.00 N ATOM 769 CA CYS A 50 -3.879 1.023 -7.831 1.00 0.00 C ATOM 770 C CYS A 50 -3.766 0.030 -6.679 1.00 0.00 C ATOM 771 O CYS A 50 -3.972 -1.171 -6.857 1.00 0.00 O ATOM 772 CB CYS A 50 -5.238 1.725 -7.784 1.00 0.00 C ATOM 773 SG CYS A 50 -5.497 2.733 -6.305 1.00 0.00 S ATOM 0 H CYS A 50 -3.861 -0.654 -9.090 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.090 1.767 -7.724 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.338 2.359 -8.665 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.025 0.973 -7.841 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.427 2.197 -5.572 1.00 0.00 H new ATOM 779 N LEU A 51 -3.436 0.539 -5.497 1.00 0.00 N ATOM 780 CA LEU A 51 -3.293 -0.303 -4.314 1.00 0.00 C ATOM 781 C LEU A 51 -4.537 -0.224 -3.436 1.00 0.00 C ATOM 782 O LEU A 51 -5.045 0.863 -3.157 1.00 0.00 O ATOM 783 CB LEU A 51 -2.060 0.115 -3.511 1.00 0.00 C ATOM 784 CG LEU A 51 -1.399 -0.981 -2.676 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.065 -0.654 -2.428 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.137 -1.165 -1.357 1.00 0.00 C ATOM 0 H LEU A 51 -3.262 1.531 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.170 -1.334 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.318 0.513 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.344 0.930 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.452 -1.917 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.519 -1.446 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.586 -0.574 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.141 0.292 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.653 -1.949 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.116 -0.231 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.171 -1.446 -1.555 1.00 0.00 H new ATOM 798 N PHE A 52 -5.023 -1.381 -3.000 1.00 0.00 N ATOM 799 CA PHE A 52 -6.208 -1.443 -2.152 1.00 0.00 C ATOM 800 C PHE A 52 -5.963 -2.338 -0.940 1.00 0.00 C ATOM 801 O PHE A 52 -5.681 -3.528 -1.080 1.00 0.00 O ATOM 802 CB PHE A 52 -7.406 -1.962 -2.949 1.00 0.00 C ATOM 803 CG PHE A 52 -7.675 -1.181 -4.203 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.857 0.192 -4.154 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.747 -1.819 -5.431 1.00 0.00 C ATOM 806 CE1 PHE A 52 -8.105 0.914 -5.306 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.995 -1.102 -6.586 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.175 0.266 -6.524 1.00 0.00 C ATOM 0 H PHE A 52 -4.614 -2.289 -3.220 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.425 -0.435 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.233 -3.006 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.293 -1.934 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.804 0.704 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.608 -2.889 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.244 1.984 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.048 -1.611 -7.537 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.370 0.828 -7.426 1.00 0.00 H new ATOM 818 N TYR A 53 -6.071 -1.755 0.249 1.00 0.00 N ATOM 819 CA TYR A 53 -5.858 -2.497 1.486 1.00 0.00 C ATOM 820 C TYR A 53 -7.181 -2.757 2.200 1.00 0.00 C ATOM 821 O TYR A 53 -7.916 -1.825 2.528 1.00 0.00 O ATOM 822 CB TYR A 53 -4.909 -1.731 2.409 1.00 0.00 C ATOM 823 CG TYR A 53 -5.603 -0.694 3.263 1.00 0.00 C ATOM 824 CD1 TYR A 53 -6.121 -1.026 4.509 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.740 0.617 2.825 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.755 -0.083 5.294 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.372 1.568 3.603 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.878 1.213 4.837 1.00 0.00 C ATOM 829 OH TYR A 53 -7.510 2.156 5.614 1.00 0.00 O ATOM 0 H TYR A 53 -6.305 -0.771 0.382 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.409 -3.457 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.396 -2.440 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.145 -1.241 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.026 -2.039 4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.346 0.898 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.152 -0.358 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.469 2.583 3.248 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.511 3.018 5.147 1.00 0.00 H new ATOM 839 N TYR A 54 -7.478 -4.029 2.438 1.00 0.00 N ATOM 840 CA TYR A 54 -8.712 -4.413 3.111 1.00 0.00 C ATOM 841 C TYR A 54 -8.422 -4.999 4.490 1.00 0.00 C ATOM 842 O TYR A 54 -7.342 -5.536 4.734 1.00 0.00 O ATOM 843 CB TYR A 54 -9.485 -5.428 2.266 1.00 0.00 C ATOM 844 CG TYR A 54 -9.817 -4.932 0.877 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.912 -5.076 -0.168 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.034 -4.317 0.610 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.211 -4.623 -1.439 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.342 -3.863 -0.658 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.427 -4.018 -1.679 1.00 0.00 C ATOM 850 OH TYR A 54 -10.729 -3.566 -2.942 1.00 0.00 O ATOM 0 H TYR A 54 -6.880 -4.812 2.174 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.320 -3.517 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.898 -6.343 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.410 -5.687 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.959 -5.550 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.752 -4.192 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.496 -4.742 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.294 -3.389 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.174 -2.786 -3.152 1.00 0.00 H new ATOM 860 N LYS A 55 -9.395 -4.891 5.388 1.00 0.00 N ATOM 861 CA LYS A 55 -9.248 -5.411 6.742 1.00 0.00 C ATOM 862 C LYS A 55 -8.851 -6.883 6.720 1.00 0.00 C ATOM 863 O LYS A 55 -8.058 -7.335 7.547 1.00 0.00 O ATOM 864 CB LYS A 55 -10.552 -5.235 7.523 1.00 0.00 C ATOM 865 CG LYS A 55 -11.684 -6.115 7.022 1.00 0.00 C ATOM 866 CD LYS A 55 -12.919 -5.988 7.898 1.00 0.00 C ATOM 867 CE LYS A 55 -14.083 -6.792 7.341 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.558 -6.250 6.038 1.00 0.00 N ATOM 0 H LYS A 55 -10.295 -4.448 5.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.457 -4.847 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.369 -5.456 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.862 -4.191 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.934 -5.840 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.356 -7.154 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.688 -6.331 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.205 -4.939 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.779 -7.831 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.904 -6.786 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.593 -6.332 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.286 -5.249 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.127 -6.789 5.260 1.00 0.00 H new ATOM 882 N ASP A 56 -9.406 -7.627 5.769 1.00 0.00 N ATOM 883 CA ASP A 56 -9.108 -9.048 5.638 1.00 0.00 C ATOM 884 C ASP A 56 -9.224 -9.495 4.184 1.00 0.00 C ATOM 885 O ASP A 56 -9.569 -8.704 3.307 1.00 0.00 O ATOM 886 CB ASP A 56 -10.051 -9.872 6.515 1.00 0.00 C ATOM 887 CG ASP A 56 -9.867 -9.584 7.992 1.00 0.00 C ATOM 888 OD1 ASP A 56 -10.230 -8.473 8.429 1.00 0.00 O ATOM 889 OD2 ASP A 56 -9.360 -10.471 8.711 1.00 0.00 O ATOM 0 H ASP A 56 -10.065 -7.269 5.078 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.082 -9.211 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.082 -9.661 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.880 -10.933 6.331 1.00 0.00 H new ATOM 894 N GLU A 57 -8.932 -10.769 3.937 1.00 0.00 N ATOM 895 CA GLU A 57 -9.002 -11.320 2.588 1.00 0.00 C ATOM 896 C GLU A 57 -10.406 -11.168 2.011 1.00 0.00 C ATOM 897 O GLU A 57 -10.595 -11.180 0.795 1.00 0.00 O ATOM 898 CB GLU A 57 -8.598 -12.796 2.595 1.00 0.00 C ATOM 899 CG GLU A 57 -7.283 -13.063 3.308 1.00 0.00 C ATOM 900 CD GLU A 57 -6.710 -14.429 2.982 1.00 0.00 C ATOM 901 OE1 GLU A 57 -7.193 -15.427 3.556 1.00 0.00 O ATOM 902 OE2 GLU A 57 -5.778 -14.499 2.153 1.00 0.00 O ATOM 0 H GLU A 57 -8.645 -11.438 4.652 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.307 -10.764 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.386 -13.378 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.522 -13.148 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.561 -12.295 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.435 -12.984 4.384 1.00 0.00 H new ATOM 909 N LYS A 58 -11.390 -11.027 2.893 1.00 0.00 N ATOM 910 CA LYS A 58 -12.778 -10.873 2.474 1.00 0.00 C ATOM 911 C LYS A 58 -12.920 -9.729 1.475 1.00 0.00 C ATOM 912 O LYS A 58 -13.703 -9.814 0.529 1.00 0.00 O ATOM 913 CB LYS A 58 -13.674 -10.618 3.688 1.00 0.00 C ATOM 914 CG LYS A 58 -13.737 -11.789 4.654 1.00 0.00 C ATOM 915 CD LYS A 58 -14.859 -11.618 5.664 1.00 0.00 C ATOM 916 CE LYS A 58 -14.425 -10.754 6.838 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.590 -10.167 7.556 1.00 0.00 N ATOM 0 H LYS A 58 -11.251 -11.016 3.903 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.090 -11.798 1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.310 -9.739 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.682 -10.388 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.885 -12.714 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.786 -11.882 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.722 -11.165 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.175 -12.596 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.836 -11.354 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.778 -9.953 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.252 -9.585 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.139 -9.574 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.194 -10.931 7.920 1.00 0.00 H new ATOM 931 N GLU A 59 -12.158 -8.662 1.691 1.00 0.00 N ATOM 932 CA GLU A 59 -12.200 -7.502 0.809 1.00 0.00 C ATOM 933 C GLU A 59 -13.630 -6.996 0.643 1.00 0.00 C ATOM 934 O GLU A 59 -14.008 -6.511 -0.423 1.00 0.00 O ATOM 935 CB GLU A 59 -11.610 -7.852 -0.559 1.00 0.00 C ATOM 936 CG GLU A 59 -10.173 -8.342 -0.494 1.00 0.00 C ATOM 937 CD GLU A 59 -9.763 -9.112 -1.734 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.380 -8.469 -2.734 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.825 -10.359 -1.705 1.00 0.00 O ATOM 0 H GLU A 59 -11.504 -8.577 2.469 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.603 -6.711 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.226 -8.620 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.657 -6.973 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.508 -7.489 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.049 -8.979 0.382 1.00 0.00 H new ATOM 946 N GLU A 60 -14.420 -7.113 1.706 1.00 0.00 N ATOM 947 CA GLU A 60 -15.809 -6.669 1.678 1.00 0.00 C ATOM 948 C GLU A 60 -15.910 -5.231 1.176 1.00 0.00 C ATOM 949 O GLU A 60 -16.564 -4.958 0.170 1.00 0.00 O ATOM 950 CB GLU A 60 -16.431 -6.780 3.071 1.00 0.00 C ATOM 951 CG GLU A 60 -16.936 -8.174 3.403 1.00 0.00 C ATOM 952 CD GLU A 60 -18.337 -8.427 2.881 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.742 -7.749 1.914 1.00 0.00 O ATOM 954 OE2 GLU A 60 -19.029 -9.304 3.441 1.00 0.00 O ATOM 0 H GLU A 60 -14.122 -7.511 2.597 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.357 -7.314 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.691 -6.484 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.259 -6.075 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.256 -8.913 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.925 -8.313 4.484 1.00 0.00 H new ATOM 961 N SER A 61 -15.258 -4.316 1.886 1.00 0.00 N ATOM 962 CA SER A 61 -15.278 -2.905 1.517 1.00 0.00 C ATOM 963 C SER A 61 -13.879 -2.303 1.598 1.00 0.00 C ATOM 964 O SER A 61 -13.106 -2.621 2.503 1.00 0.00 O ATOM 965 CB SER A 61 -16.233 -2.131 2.428 1.00 0.00 C ATOM 966 OG SER A 61 -17.558 -2.618 2.309 1.00 0.00 O ATOM 0 H SER A 61 -14.709 -4.526 2.720 1.00 0.00 H new ATOM 0 HA SER A 61 -15.628 -2.829 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.902 -2.216 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.207 -1.072 2.171 1.00 0.00 H new ATOM 0 HG SER A 61 -18.148 -2.108 2.902 1.00 0.00 H new ATOM 972 N ILE A 62 -13.560 -1.432 0.647 1.00 0.00 N ATOM 973 CA ILE A 62 -12.255 -0.784 0.611 1.00 0.00 C ATOM 974 C ILE A 62 -12.091 0.188 1.774 1.00 0.00 C ATOM 975 O ILE A 62 -12.853 1.147 1.908 1.00 0.00 O ATOM 976 CB ILE A 62 -12.040 -0.025 -0.712 1.00 0.00 C ATOM 977 CG1 ILE A 62 -12.235 -0.965 -1.903 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.653 0.599 -0.745 1.00 0.00 C ATOM 979 CD1 ILE A 62 -12.269 -0.252 -3.237 1.00 0.00 C ATOM 0 H ILE A 62 -14.188 -1.159 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.508 -1.574 0.693 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.779 0.774 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.428 -1.698 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.166 -1.517 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.516 1.132 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.548 1.297 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.900 -0.184 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.410 -0.981 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.093 0.462 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.329 0.277 -3.391 1.00 0.00 H new ATOM 991 N LEU A 63 -11.093 -0.065 2.613 1.00 0.00 N ATOM 992 CA LEU A 63 -10.827 0.789 3.766 1.00 0.00 C ATOM 993 C LEU A 63 -10.230 2.123 3.329 1.00 0.00 C ATOM 994 O LEU A 63 -10.595 3.177 3.848 1.00 0.00 O ATOM 995 CB LEU A 63 -9.877 0.086 4.738 1.00 0.00 C ATOM 996 CG LEU A 63 -10.262 -1.338 5.140 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.221 -1.927 6.079 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.638 -1.356 5.788 1.00 0.00 C ATOM 0 H LEU A 63 -10.454 -0.854 2.517 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.774 0.983 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.884 0.060 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.802 0.690 5.642 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.299 -1.952 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.512 -2.941 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.252 -1.950 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.152 -1.313 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.895 -2.378 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.629 -0.728 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.377 -0.976 5.083 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.311 2.069 2.369 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.681 3.279 1.877 1.00 0.00 C ATOM 1012 C GLY A 64 -7.747 3.015 0.713 1.00 0.00 C ATOM 1013 O GLY A 64 -6.747 2.311 0.858 1.00 0.00 O ATOM 0 H GLY A 64 -8.992 1.208 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.451 3.986 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.123 3.749 2.687 1.00 0.00 H new ATOM 1017 N SER A 65 -8.074 3.578 -0.446 1.00 0.00 N ATOM 1018 CA SER A 65 -7.260 3.394 -1.642 1.00 0.00 C ATOM 1019 C SER A 65 -6.084 4.366 -1.653 1.00 0.00 C ATOM 1020 O SER A 65 -6.223 5.529 -1.273 1.00 0.00 O ATOM 1021 CB SER A 65 -8.111 3.590 -2.898 1.00 0.00 C ATOM 1022 OG SER A 65 -9.360 2.933 -2.776 1.00 0.00 O ATOM 0 H SER A 65 -8.897 4.165 -0.582 1.00 0.00 H new ATOM 0 HA SER A 65 -6.868 2.377 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.272 4.654 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.577 3.204 -3.766 1.00 0.00 H new ATOM 0 HG SER A 65 -9.320 2.066 -3.232 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.928 3.880 -2.091 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.728 4.705 -2.153 1.00 0.00 C ATOM 1030 C ILE A 66 -3.063 4.607 -3.522 1.00 0.00 C ATOM 1031 O ILE A 66 -2.595 3.546 -3.937 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.710 4.301 -1.070 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.329 4.447 0.322 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.450 5.146 -1.186 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.502 3.815 1.420 1.00 0.00 C ATOM 0 H ILE A 66 -4.797 2.919 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.043 5.734 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.438 3.256 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.462 5.506 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.321 3.995 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.740 4.849 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.001 4.997 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.705 6.198 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.001 3.957 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.390 2.749 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.518 4.284 1.450 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.017 5.738 -4.240 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.409 5.806 -5.573 1.00 0.00 C ATOM 1049 C PRO A 67 -0.892 5.659 -5.526 1.00 0.00 C ATOM 1050 O PRO A 67 -0.223 6.285 -4.703 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.796 7.201 -6.069 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.009 7.999 -4.828 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.555 7.039 -3.808 1.00 0.00 C ATOM 0 HA PRO A 67 -2.753 4.999 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.010 7.633 -6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.699 7.168 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.075 8.444 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.706 8.818 -5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.227 7.294 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.645 7.040 -3.799 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.355 4.829 -6.413 1.00 0.00 N ATOM 1062 CA LEU A 68 1.085 4.600 -6.473 1.00 0.00 C ATOM 1063 C LEU A 68 1.681 5.213 -7.736 1.00 0.00 C ATOM 1064 O LEU A 68 2.881 5.480 -7.803 1.00 0.00 O ATOM 1065 CB LEU A 68 1.385 3.101 -6.429 1.00 0.00 C ATOM 1066 CG LEU A 68 1.293 2.438 -5.054 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.407 0.927 -5.181 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.371 2.980 -4.127 1.00 0.00 C ATOM 0 H LEU A 68 -0.895 4.303 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 68 1.541 5.081 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.695 2.593 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.389 2.940 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 68 0.320 2.673 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.339 0.473 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.598 0.553 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.365 0.671 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.290 2.497 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.353 2.776 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.243 4.056 -4.010 1.00 0.00 H new ATOM 1080 N LEU A 69 0.835 5.435 -8.736 1.00 0.00 N ATOM 1081 CA LEU A 69 1.277 6.019 -9.997 1.00 0.00 C ATOM 1082 C LEU A 69 2.057 7.307 -9.757 1.00 0.00 C ATOM 1083 O LEU A 69 2.763 7.792 -10.642 1.00 0.00 O ATOM 1084 CB LEU A 69 0.076 6.297 -10.902 1.00 0.00 C ATOM 1085 CG LEU A 69 -1.207 6.738 -10.197 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -2.012 7.671 -11.089 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -2.040 5.528 -9.799 1.00 0.00 C ATOM 0 H LEU A 69 -0.161 5.219 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 69 1.936 5.304 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.357 7.069 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.139 5.395 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.934 7.280 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.922 7.975 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.417 8.553 -11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.275 7.155 -12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.949 5.861 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.304 4.959 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.464 4.896 -9.123 1.00 0.00 H new ATOM 1099 N SER A 70 1.927 7.856 -8.554 1.00 0.00 N ATOM 1100 CA SER A 70 2.618 9.090 -8.197 1.00 0.00 C ATOM 1101 C SER A 70 3.859 8.794 -7.361 1.00 0.00 C ATOM 1102 O SER A 70 4.857 9.512 -7.434 1.00 0.00 O ATOM 1103 CB SER A 70 1.680 10.021 -7.427 1.00 0.00 C ATOM 1104 OG SER A 70 0.808 10.709 -8.307 1.00 0.00 O ATOM 0 H SER A 70 1.349 7.466 -7.809 1.00 0.00 H new ATOM 0 HA SER A 70 2.930 9.582 -9.118 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.097 9.443 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.266 10.740 -6.855 1.00 0.00 H new ATOM 0 HG SER A 70 0.218 11.296 -7.790 1.00 0.00 H new ATOM 1110 N PHE A 71 3.790 7.732 -6.565 1.00 0.00 N ATOM 1111 CA PHE A 71 4.907 7.341 -5.713 1.00 0.00 C ATOM 1112 C PHE A 71 5.968 6.593 -6.516 1.00 0.00 C ATOM 1113 O PHE A 71 5.742 6.222 -7.668 1.00 0.00 O ATOM 1114 CB PHE A 71 4.414 6.466 -4.559 1.00 0.00 C ATOM 1115 CG PHE A 71 3.588 7.213 -3.551 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.395 7.813 -3.921 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.004 7.314 -2.233 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.634 8.501 -2.996 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.246 8.001 -1.303 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.059 8.594 -1.685 1.00 0.00 C ATOM 0 H PHE A 71 2.972 7.127 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 71 5.356 8.247 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.823 5.644 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.274 6.023 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.056 7.742 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.931 6.851 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.707 8.966 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.582 8.074 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.464 9.130 -0.960 1.00 0.00 H new ATOM 1130 N ARG A 72 7.125 6.376 -5.899 1.00 0.00 N ATOM 1131 CA ARG A 72 8.221 5.675 -6.555 1.00 0.00 C ATOM 1132 C ARG A 72 8.776 4.572 -5.658 1.00 0.00 C ATOM 1133 O ARG A 72 9.928 4.627 -5.229 1.00 0.00 O ATOM 1134 CB ARG A 72 9.335 6.657 -6.923 1.00 0.00 C ATOM 1135 CG ARG A 72 10.431 6.042 -7.779 1.00 0.00 C ATOM 1136 CD ARG A 72 11.555 7.032 -8.039 1.00 0.00 C ATOM 1137 NE ARG A 72 12.733 6.384 -8.611 1.00 0.00 N ATOM 1138 CZ ARG A 72 13.891 7.005 -8.805 1.00 0.00 C ATOM 1139 NH1 ARG A 72 14.027 8.282 -8.475 1.00 0.00 N ATOM 1140 NH2 ARG A 72 14.917 6.348 -9.331 1.00 0.00 N ATOM 0 H ARG A 72 7.327 6.676 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 72 7.833 5.218 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.901 7.503 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.778 7.050 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.831 5.159 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.010 5.710 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.204 7.810 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.829 7.523 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 72 12.662 5.401 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.241 8.791 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.918 8.756 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.817 5.366 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.806 6.825 -9.480 1.00 0.00 H new ATOM 1154 N VAL A 73 7.946 3.571 -5.378 1.00 0.00 N ATOM 1155 CA VAL A 73 8.353 2.455 -4.533 1.00 0.00 C ATOM 1156 C VAL A 73 9.832 2.133 -4.722 1.00 0.00 C ATOM 1157 O VAL A 73 10.364 2.237 -5.826 1.00 0.00 O ATOM 1158 CB VAL A 73 7.523 1.193 -4.831 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.917 0.061 -3.896 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.036 1.496 -4.719 1.00 0.00 C ATOM 0 H VAL A 73 6.988 3.511 -5.724 1.00 0.00 H new ATOM 0 HA VAL A 73 8.179 2.760 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 73 7.730 0.875 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.320 -0.822 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.973 -0.171 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.741 0.364 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.464 0.593 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.810 1.839 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.768 2.273 -5.435 1.00 0.00 H new ATOM 1170 N ALA A 74 10.490 1.742 -3.635 1.00 0.00 N ATOM 1171 CA ALA A 74 11.907 1.403 -3.681 1.00 0.00 C ATOM 1172 C ALA A 74 12.387 0.869 -2.336 1.00 0.00 C ATOM 1173 O ALA A 74 12.152 1.481 -1.295 1.00 0.00 O ATOM 1174 CB ALA A 74 12.727 2.616 -4.093 1.00 0.00 C ATOM 0 H ALA A 74 10.064 1.652 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 74 12.044 0.617 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.783 2.348 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.409 2.952 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.577 3.419 -3.371 1.00 0.00 H new ATOM 1180 N ALA A 75 13.061 -0.276 -2.366 1.00 0.00 N ATOM 1181 CA ALA A 75 13.575 -0.892 -1.148 1.00 0.00 C ATOM 1182 C ALA A 75 14.126 0.161 -0.192 1.00 0.00 C ATOM 1183 O ALA A 75 14.565 1.230 -0.615 1.00 0.00 O ATOM 1184 CB ALA A 75 14.650 -1.914 -1.487 1.00 0.00 C ATOM 0 H ALA A 75 13.264 -0.796 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 75 12.749 -1.401 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.025 -2.366 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.227 -2.689 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.470 -1.420 -2.009 1.00 0.00 H new ATOM 1190 N VAL A 76 14.098 -0.149 1.101 1.00 0.00 N ATOM 1191 CA VAL A 76 14.595 0.770 2.118 1.00 0.00 C ATOM 1192 C VAL A 76 16.101 0.967 1.992 1.00 0.00 C ATOM 1193 O VAL A 76 16.731 0.439 1.076 1.00 0.00 O ATOM 1194 CB VAL A 76 14.271 0.266 3.536 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.828 0.583 3.900 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.540 -1.227 3.645 1.00 0.00 C ATOM 0 H VAL A 76 13.736 -1.029 1.468 1.00 0.00 H new ATOM 0 HA VAL A 76 14.092 1.723 1.956 1.00 0.00 H new ATOM 0 HB VAL A 76 14.921 0.782 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.618 0.219 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.672 1.661 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.159 0.096 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.306 -1.566 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.917 -1.762 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.590 -1.424 3.431 1.00 0.00 H new ATOM 1206 N GLN A 77 16.672 1.730 2.919 1.00 0.00 N ATOM 1207 CA GLN A 77 18.106 1.996 2.911 1.00 0.00 C ATOM 1208 C GLN A 77 18.689 1.876 4.315 1.00 0.00 C ATOM 1209 O GLN A 77 17.974 1.915 5.316 1.00 0.00 O ATOM 1210 CB GLN A 77 18.383 3.391 2.348 1.00 0.00 C ATOM 1211 CG GLN A 77 18.616 3.405 0.845 1.00 0.00 C ATOM 1212 CD GLN A 77 20.083 3.293 0.481 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.865 4.216 0.710 1.00 0.00 O ATOM 1214 NE2 GLN A 77 20.466 2.156 -0.090 1.00 0.00 N ATOM 0 H GLN A 77 16.164 2.174 3.684 1.00 0.00 H new ATOM 0 HA GLN A 77 18.585 1.253 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.541 4.042 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.258 3.808 2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.068 2.580 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.211 4.327 0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.785 1.417 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 77 21.441 2.023 -0.357 1.00 0.00 H new ATOM 1223 N PRO A 78 20.020 1.726 4.392 1.00 0.00 N ATOM 1224 CA PRO A 78 20.729 1.598 5.668 1.00 0.00 C ATOM 1225 C PRO A 78 20.731 2.899 6.464 1.00 0.00 C ATOM 1226 O PRO A 78 21.215 2.945 7.595 1.00 0.00 O ATOM 1227 CB PRO A 78 22.153 1.227 5.247 1.00 0.00 C ATOM 1228 CG PRO A 78 22.296 1.775 3.870 1.00 0.00 C ATOM 1229 CD PRO A 78 20.935 1.672 3.239 1.00 0.00 C ATOM 0 HA PRO A 78 20.259 0.865 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.891 1.659 5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.301 0.147 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.637 2.810 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.034 1.210 3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.752 2.490 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.821 0.744 2.678 1.00 0.00 H new ATOM 1237 N SER A 79 20.187 3.954 5.866 1.00 0.00 N ATOM 1238 CA SER A 79 20.129 5.257 6.519 1.00 0.00 C ATOM 1239 C SER A 79 18.780 5.463 7.200 1.00 0.00 C ATOM 1240 O SER A 79 18.634 6.329 8.064 1.00 0.00 O ATOM 1241 CB SER A 79 20.374 6.372 5.500 1.00 0.00 C ATOM 1242 OG SER A 79 20.860 7.542 6.133 1.00 0.00 O ATOM 0 H SER A 79 19.780 3.932 4.931 1.00 0.00 H new ATOM 0 HA SER A 79 20.909 5.291 7.279 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.091 6.034 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.447 6.598 4.973 1.00 0.00 H new ATOM 0 HG SER A 79 21.010 8.239 5.461 1.00 0.00 H new ATOM 1248 N ASP A 80 17.796 4.662 6.806 1.00 0.00 N ATOM 1249 CA ASP A 80 16.458 4.755 7.379 1.00 0.00 C ATOM 1250 C ASP A 80 16.397 4.054 8.733 1.00 0.00 C ATOM 1251 O ASP A 80 17.202 3.170 9.022 1.00 0.00 O ATOM 1252 CB ASP A 80 15.429 4.144 6.427 1.00 0.00 C ATOM 1253 CG ASP A 80 14.936 5.137 5.393 1.00 0.00 C ATOM 1254 OD1 ASP A 80 14.239 6.099 5.779 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.246 4.953 4.197 1.00 0.00 O ATOM 0 H ASP A 80 17.900 3.941 6.092 1.00 0.00 H new ATOM 0 HA ASP A 80 16.224 5.810 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.871 3.286 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.581 3.772 7.003 1.00 0.00 H new ATOM 1260 N ASN A 81 15.435 4.455 9.558 1.00 0.00 N ATOM 1261 CA ASN A 81 15.270 3.866 10.882 1.00 0.00 C ATOM 1262 C ASN A 81 14.441 2.587 10.809 1.00 0.00 C ATOM 1263 O ASN A 81 13.511 2.392 11.592 1.00 0.00 O ATOM 1264 CB ASN A 81 14.602 4.866 11.828 1.00 0.00 C ATOM 1265 CG ASN A 81 13.445 5.597 11.174 1.00 0.00 C ATOM 1266 OD1 ASN A 81 13.480 6.817 11.011 1.00 0.00 O ATOM 1267 ND2 ASN A 81 12.413 4.852 10.796 1.00 0.00 N ATOM 0 H ASN A 81 14.759 5.185 9.333 1.00 0.00 H new ATOM 0 HA ASN A 81 16.259 3.616 11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.243 4.341 12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.342 5.591 12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.606 5.288 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.428 3.844 10.951 1.00 0.00 H new ATOM 1274 N ILE A 82 14.785 1.719 9.863 1.00 0.00 N ATOM 1275 CA ILE A 82 14.074 0.459 9.689 1.00 0.00 C ATOM 1276 C ILE A 82 14.905 -0.716 10.194 1.00 0.00 C ATOM 1277 O ILE A 82 16.056 -0.893 9.795 1.00 0.00 O ATOM 1278 CB ILE A 82 13.710 0.217 8.212 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.786 1.325 7.704 1.00 0.00 C ATOM 1280 CG2 ILE A 82 13.055 -1.146 8.044 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.526 1.485 8.525 1.00 0.00 C ATOM 0 H ILE A 82 15.551 1.866 9.206 1.00 0.00 H new ATOM 0 HA ILE A 82 13.157 0.531 10.274 1.00 0.00 H new ATOM 0 HB ILE A 82 14.625 0.233 7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.331 2.269 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.512 1.113 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.804 -1.302 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.745 -1.924 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.147 -1.190 8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.919 2.288 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.959 0.554 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.791 1.728 9.554 1.00 0.00 H new ATOM 1293 N SER A 83 14.314 -1.517 11.075 1.00 0.00 N ATOM 1294 CA SER A 83 15.000 -2.674 11.637 1.00 0.00 C ATOM 1295 C SER A 83 14.669 -3.938 10.849 1.00 0.00 C ATOM 1296 O SER A 83 15.548 -4.748 10.557 1.00 0.00 O ATOM 1297 CB SER A 83 14.613 -2.859 13.106 1.00 0.00 C ATOM 1298 OG SER A 83 15.486 -3.768 13.753 1.00 0.00 O ATOM 0 H SER A 83 13.361 -1.386 11.415 1.00 0.00 H new ATOM 0 HA SER A 83 16.073 -2.496 11.571 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.642 -1.896 13.617 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.588 -3.225 13.172 1.00 0.00 H new ATOM 0 HG SER A 83 15.218 -3.868 14.690 1.00 0.00 H new ATOM 1304 N ARG A 84 13.394 -4.098 10.509 1.00 0.00 N ATOM 1305 CA ARG A 84 12.946 -5.263 9.756 1.00 0.00 C ATOM 1306 C ARG A 84 13.560 -5.278 8.359 1.00 0.00 C ATOM 1307 O ARG A 84 13.602 -4.254 7.677 1.00 0.00 O ATOM 1308 CB ARG A 84 11.419 -5.274 9.653 1.00 0.00 C ATOM 1309 CG ARG A 84 10.720 -5.400 10.997 1.00 0.00 C ATOM 1310 CD ARG A 84 9.258 -4.990 10.904 1.00 0.00 C ATOM 1311 NE ARG A 84 8.429 -5.694 11.878 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.240 -7.009 11.868 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.819 -7.758 10.939 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.472 -7.578 12.788 1.00 0.00 N ATOM 0 H ARG A 84 12.654 -3.436 10.743 1.00 0.00 H new ATOM 0 HA ARG A 84 13.275 -6.156 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.089 -4.356 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.112 -6.102 9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.789 -6.429 11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.228 -4.776 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.172 -3.915 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.888 -5.193 9.899 1.00 0.00 H new ATOM 0 HE ARG A 84 7.970 -5.146 12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.411 -7.325 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.672 -8.767 10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.025 -7.006 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.328 -8.588 12.779 1.00 0.00 H new ATOM 1328 N LYS A 85 14.037 -6.445 7.940 1.00 0.00 N ATOM 1329 CA LYS A 85 14.649 -6.595 6.626 1.00 0.00 C ATOM 1330 C LYS A 85 13.592 -6.878 5.563 1.00 0.00 C ATOM 1331 O LYS A 85 12.475 -7.290 5.878 1.00 0.00 O ATOM 1332 CB LYS A 85 15.682 -7.724 6.646 1.00 0.00 C ATOM 1333 CG LYS A 85 17.079 -7.263 7.024 1.00 0.00 C ATOM 1334 CD LYS A 85 18.081 -8.403 6.948 1.00 0.00 C ATOM 1335 CE LYS A 85 18.437 -8.737 5.507 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.583 -7.924 5.015 1.00 0.00 N ATOM 0 H LYS A 85 14.011 -7.302 8.493 1.00 0.00 H new ATOM 0 HA LYS A 85 15.149 -5.659 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.358 -8.489 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.716 -8.191 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.390 -6.458 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.067 -6.854 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.985 -8.132 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.667 -9.286 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.684 -9.796 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.570 -8.565 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.794 -8.182 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.339 -6.914 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.418 -8.107 5.607 1.00 0.00 H new ATOM 1350 N HIS A 86 13.952 -6.654 4.303 1.00 0.00 N ATOM 1351 CA HIS A 86 13.034 -6.887 3.193 1.00 0.00 C ATOM 1352 C HIS A 86 11.876 -5.895 3.228 1.00 0.00 C ATOM 1353 O HIS A 86 10.709 -6.283 3.151 1.00 0.00 O ATOM 1354 CB HIS A 86 12.498 -8.318 3.239 1.00 0.00 C ATOM 1355 CG HIS A 86 13.504 -9.320 3.715 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.786 -9.396 3.214 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.411 -10.291 4.654 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.438 -10.371 3.822 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.626 -10.929 4.701 1.00 0.00 N ATOM 0 H HIS A 86 14.872 -6.312 4.025 1.00 0.00 H new ATOM 0 HA HIS A 86 13.584 -6.743 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.628 -8.350 3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.158 -8.602 2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.543 -10.521 5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.461 -10.662 3.632 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.863 -11.708 5.315 1.00 0.00 H new ATOM 1368 N THR A 87 12.205 -4.613 3.346 1.00 0.00 N ATOM 1369 CA THR A 87 11.192 -3.565 3.394 1.00 0.00 C ATOM 1370 C THR A 87 11.402 -2.546 2.280 1.00 0.00 C ATOM 1371 O THR A 87 12.534 -2.280 1.874 1.00 0.00 O ATOM 1372 CB THR A 87 11.202 -2.836 4.751 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.776 -3.725 5.789 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.293 -1.616 4.716 1.00 0.00 C ATOM 0 H THR A 87 13.165 -4.275 3.410 1.00 0.00 H new ATOM 0 HA THR A 87 10.226 -4.052 3.259 1.00 0.00 H new ATOM 0 HB THR A 87 12.221 -2.505 4.953 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.787 -3.254 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.316 -1.117 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.638 -0.927 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.273 -1.929 4.493 1.00 0.00 H new ATOM 1382 N PHE A 88 10.306 -1.978 1.790 1.00 0.00 N ATOM 1383 CA PHE A 88 10.371 -0.987 0.722 1.00 0.00 C ATOM 1384 C PHE A 88 9.527 0.238 1.064 1.00 0.00 C ATOM 1385 O PHE A 88 8.369 0.116 1.464 1.00 0.00 O ATOM 1386 CB PHE A 88 9.893 -1.597 -0.598 1.00 0.00 C ATOM 1387 CG PHE A 88 8.634 -2.404 -0.464 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.629 -3.592 0.248 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.454 -1.973 -1.050 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.471 -4.337 0.371 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.293 -2.714 -0.929 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.302 -3.897 -0.217 1.00 0.00 C ATOM 0 H PHE A 88 9.362 -2.187 2.115 1.00 0.00 H new ATOM 0 HA PHE A 88 11.409 -0.673 0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.727 -0.797 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.681 -2.232 -1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.540 -3.940 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.441 -1.048 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.481 -5.263 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.380 -2.368 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.396 -4.477 -0.120 1.00 0.00 H new ATOM 1402 N LYS A 89 10.116 1.418 0.904 1.00 0.00 N ATOM 1403 CA LYS A 89 9.421 2.666 1.195 1.00 0.00 C ATOM 1404 C LYS A 89 9.013 3.374 -0.093 1.00 0.00 C ATOM 1405 O LYS A 89 9.800 3.473 -1.034 1.00 0.00 O ATOM 1406 CB LYS A 89 10.310 3.585 2.035 1.00 0.00 C ATOM 1407 CG LYS A 89 11.777 3.536 1.645 1.00 0.00 C ATOM 1408 CD LYS A 89 12.493 4.828 2.003 1.00 0.00 C ATOM 1409 CE LYS A 89 13.784 4.986 1.216 1.00 0.00 C ATOM 1410 NZ LYS A 89 14.605 6.122 1.719 1.00 0.00 N ATOM 0 H LYS A 89 11.074 1.536 0.574 1.00 0.00 H new ATOM 0 HA LYS A 89 8.520 2.428 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.951 4.610 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.213 3.310 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.261 2.699 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.864 3.356 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.838 5.676 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.713 4.840 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.362 4.064 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.550 5.145 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.407 6.282 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.020 6.980 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.963 5.898 2.669 1.00 0.00 H new ATOM 1424 N ALA A 90 7.779 3.866 -0.128 1.00 0.00 N ATOM 1425 CA ALA A 90 7.269 4.569 -1.299 1.00 0.00 C ATOM 1426 C ALA A 90 7.174 6.069 -1.041 1.00 0.00 C ATOM 1427 O ALA A 90 6.636 6.499 -0.022 1.00 0.00 O ATOM 1428 CB ALA A 90 5.910 4.012 -1.698 1.00 0.00 C ATOM 0 H ALA A 90 7.114 3.791 0.641 1.00 0.00 H new ATOM 0 HA ALA A 90 7.969 4.412 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.541 4.546 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.006 2.952 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.209 4.139 -0.873 1.00 0.00 H new ATOM 1434 N GLU A 91 7.700 6.859 -1.971 1.00 0.00 N ATOM 1435 CA GLU A 91 7.674 8.311 -1.843 1.00 0.00 C ATOM 1436 C GLU A 91 7.310 8.969 -3.170 1.00 0.00 C ATOM 1437 O GLU A 91 7.833 8.601 -4.223 1.00 0.00 O ATOM 1438 CB GLU A 91 9.032 8.827 -1.361 1.00 0.00 C ATOM 1439 CG GLU A 91 9.434 10.155 -1.981 1.00 0.00 C ATOM 1440 CD GLU A 91 10.777 10.649 -1.482 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.694 9.816 -1.320 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.912 11.869 -1.253 1.00 0.00 O ATOM 0 H GLU A 91 8.149 6.518 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 91 6.912 8.571 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.006 8.935 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.796 8.083 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.470 10.049 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.671 10.901 -1.759 1.00 0.00 H new ATOM 1449 N HIS A 92 6.408 9.944 -3.113 1.00 0.00 N ATOM 1450 CA HIS A 92 5.972 10.654 -4.311 1.00 0.00 C ATOM 1451 C HIS A 92 6.705 11.985 -4.450 1.00 0.00 C ATOM 1452 O HIS A 92 6.714 12.590 -5.521 1.00 0.00 O ATOM 1453 CB HIS A 92 4.463 10.891 -4.268 1.00 0.00 C ATOM 1454 CG HIS A 92 4.024 12.099 -5.036 1.00 0.00 C ATOM 1455 ND1 HIS A 92 3.383 13.171 -4.451 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.139 12.403 -6.350 1.00 0.00 C ATOM 1457 CE1 HIS A 92 3.122 14.081 -5.373 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.571 13.640 -6.534 1.00 0.00 N ATOM 0 H HIS A 92 5.965 10.260 -2.251 1.00 0.00 H new ATOM 0 HA HIS A 92 6.210 10.036 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.954 10.013 -4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.150 10.997 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.593 11.787 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.626 15.025 -5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.507 14.137 -7.422 1.00 0.00 H new ATOM 1467 N ALA A 93 7.317 12.435 -3.359 1.00 0.00 N ATOM 1468 CA ALA A 93 8.052 13.693 -3.360 1.00 0.00 C ATOM 1469 C ALA A 93 7.104 14.883 -3.454 1.00 0.00 C ATOM 1470 O ALA A 93 7.404 15.878 -4.113 1.00 0.00 O ATOM 1471 CB ALA A 93 9.051 13.720 -4.507 1.00 0.00 C ATOM 0 H ALA A 93 7.318 11.947 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 93 8.595 13.768 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.593 14.666 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.756 12.896 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.521 13.617 -5.454 1.00 0.00 H new ATOM 1477 N GLY A 94 5.956 14.774 -2.792 1.00 0.00 N ATOM 1478 CA GLY A 94 4.981 15.848 -2.815 1.00 0.00 C ATOM 1479 C GLY A 94 3.878 15.652 -1.793 1.00 0.00 C ATOM 1480 O GLY A 94 3.330 16.621 -1.267 1.00 0.00 O ATOM 0 H GLY A 94 5.684 13.960 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.484 16.796 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.542 15.915 -3.810 1.00 0.00 H new ATOM 1484 N VAL A 95 3.550 14.395 -1.512 1.00 0.00 N ATOM 1485 CA VAL A 95 2.505 14.075 -0.547 1.00 0.00 C ATOM 1486 C VAL A 95 3.100 13.524 0.744 1.00 0.00 C ATOM 1487 O VAL A 95 2.972 14.132 1.807 1.00 0.00 O ATOM 1488 CB VAL A 95 1.509 13.049 -1.119 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.413 12.748 -0.108 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.915 13.555 -2.425 1.00 0.00 C ATOM 0 H VAL A 95 3.993 13.582 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 95 1.976 15.004 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 95 2.046 12.123 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.281 12.021 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.858 12.341 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.124 13.666 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.213 12.818 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.392 14.495 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.713 13.716 -3.150 1.00 0.00 H new ATOM 1500 N ARG A 96 3.750 12.369 0.644 1.00 0.00 N ATOM 1501 CA ARG A 96 4.364 11.735 1.805 1.00 0.00 C ATOM 1502 C ARG A 96 5.146 10.491 1.394 1.00 0.00 C ATOM 1503 O ARG A 96 5.178 10.123 0.219 1.00 0.00 O ATOM 1504 CB ARG A 96 3.295 11.362 2.834 1.00 0.00 C ATOM 1505 CG ARG A 96 2.647 10.011 2.577 1.00 0.00 C ATOM 1506 CD ARG A 96 1.484 9.762 3.524 1.00 0.00 C ATOM 1507 NE ARG A 96 1.933 9.272 4.825 1.00 0.00 N ATOM 1508 CZ ARG A 96 2.337 10.067 5.809 1.00 0.00 C ATOM 1509 NH1 ARG A 96 2.348 11.382 5.642 1.00 0.00 N ATOM 1510 NH2 ARG A 96 2.730 9.546 6.965 1.00 0.00 N ATOM 0 H ARG A 96 3.865 11.853 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 96 5.057 12.447 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.745 11.357 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.523 12.131 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.295 9.965 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.389 9.222 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.922 10.686 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.803 9.037 3.079 1.00 0.00 H new ATOM 0 HE ARG A 96 1.936 8.265 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.046 11.786 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.659 11.990 6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.722 8.535 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.040 10.157 7.721 1.00 0.00 H new ATOM 1524 N THR A 97 5.777 9.846 2.371 1.00 0.00 N ATOM 1525 CA THR A 97 6.560 8.644 2.111 1.00 0.00 C ATOM 1526 C THR A 97 6.050 7.467 2.934 1.00 0.00 C ATOM 1527 O THR A 97 6.263 7.404 4.145 1.00 0.00 O ATOM 1528 CB THR A 97 8.052 8.868 2.426 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.532 10.021 1.727 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.876 7.651 2.034 1.00 0.00 C ATOM 0 H THR A 97 5.761 10.136 3.349 1.00 0.00 H new ATOM 0 HA THR A 97 6.449 8.417 1.051 1.00 0.00 H new ATOM 0 HB THR A 97 8.155 9.026 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.480 10.158 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.926 7.832 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.527 6.781 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.767 7.467 0.965 1.00 0.00 H new ATOM 1538 N TYR A 98 5.377 6.535 2.269 1.00 0.00 N ATOM 1539 CA TYR A 98 4.834 5.359 2.940 1.00 0.00 C ATOM 1540 C TYR A 98 5.911 4.295 3.131 1.00 0.00 C ATOM 1541 O TYR A 98 7.009 4.401 2.582 1.00 0.00 O ATOM 1542 CB TYR A 98 3.668 4.781 2.137 1.00 0.00 C ATOM 1543 CG TYR A 98 2.352 5.482 2.390 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.587 5.182 3.510 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.875 6.445 1.510 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.384 5.820 3.745 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.674 7.089 1.737 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.068 6.772 2.856 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.265 7.411 3.087 1.00 0.00 O ATOM 0 H TYR A 98 5.194 6.570 1.266 1.00 0.00 H new ATOM 0 HA TYR A 98 4.474 5.666 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.904 4.842 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.559 3.724 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.938 4.437 4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.453 6.695 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.199 5.574 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.318 7.836 1.043 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.437 8.053 2.367 1.00 0.00 H new ATOM 1559 N PHE A 99 5.589 3.270 3.912 1.00 0.00 N ATOM 1560 CA PHE A 99 6.527 2.186 4.177 1.00 0.00 C ATOM 1561 C PHE A 99 5.811 0.839 4.201 1.00 0.00 C ATOM 1562 O PHE A 99 4.716 0.716 4.751 1.00 0.00 O ATOM 1563 CB PHE A 99 7.245 2.418 5.509 1.00 0.00 C ATOM 1564 CG PHE A 99 8.452 3.305 5.393 1.00 0.00 C ATOM 1565 CD1 PHE A 99 8.309 4.675 5.246 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.728 2.768 5.431 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.418 5.494 5.140 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.840 3.582 5.325 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.685 4.946 5.179 1.00 0.00 C ATOM 0 H PHE A 99 4.685 3.167 4.373 1.00 0.00 H new ATOM 0 HA PHE A 99 7.262 2.172 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.545 2.861 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.549 1.456 5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.320 5.108 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.856 1.702 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.294 6.561 5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.830 3.151 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.553 5.583 5.095 1.00 0.00 H new ATOM 1579 N PHE A 100 6.435 -0.167 3.599 1.00 0.00 N ATOM 1580 CA PHE A 100 5.857 -1.505 3.549 1.00 0.00 C ATOM 1581 C PHE A 100 6.927 -2.569 3.780 1.00 0.00 C ATOM 1582 O PHE A 100 7.880 -2.684 3.011 1.00 0.00 O ATOM 1583 CB PHE A 100 5.174 -1.738 2.200 1.00 0.00 C ATOM 1584 CG PHE A 100 4.234 -0.635 1.805 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.956 -0.573 2.338 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.627 0.338 0.902 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.088 0.441 1.978 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.764 1.355 0.538 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.493 1.405 1.076 1.00 0.00 C ATOM 0 H PHE A 100 7.341 -0.082 3.139 1.00 0.00 H new ATOM 0 HA PHE A 100 5.115 -1.583 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.937 -1.847 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.623 -2.678 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.635 -1.326 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.619 0.302 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.095 0.479 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.083 2.109 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.816 2.197 0.792 1.00 0.00 H new ATOM 1599 N SER A 101 6.760 -3.344 4.847 1.00 0.00 N ATOM 1600 CA SER A 101 7.713 -4.395 5.184 1.00 0.00 C ATOM 1601 C SER A 101 7.236 -5.748 4.663 1.00 0.00 C ATOM 1602 O SER A 101 6.036 -5.995 4.554 1.00 0.00 O ATOM 1603 CB SER A 101 7.916 -4.463 6.699 1.00 0.00 C ATOM 1604 OG SER A 101 8.471 -5.708 7.084 1.00 0.00 O ATOM 0 H SER A 101 5.974 -3.264 5.492 1.00 0.00 H new ATOM 0 HA SER A 101 8.664 -4.155 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.574 -3.654 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.961 -4.315 7.204 1.00 0.00 H new ATOM 0 HG SER A 101 9.430 -5.716 6.880 1.00 0.00 H new ATOM 1610 N ALA A 102 8.187 -6.619 4.341 1.00 0.00 N ATOM 1611 CA ALA A 102 7.865 -7.947 3.833 1.00 0.00 C ATOM 1612 C ALA A 102 8.539 -9.032 4.666 1.00 0.00 C ATOM 1613 O ALA A 102 9.761 -9.043 4.816 1.00 0.00 O ATOM 1614 CB ALA A 102 8.278 -8.068 2.373 1.00 0.00 C ATOM 0 H ALA A 102 9.186 -6.429 4.423 1.00 0.00 H new ATOM 0 HA ALA A 102 6.786 -8.085 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.032 -9.065 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.747 -7.322 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.352 -7.904 2.284 1.00 0.00 H new ATOM 1620 N GLU A 103 7.735 -9.941 5.207 1.00 0.00 N ATOM 1621 CA GLU A 103 8.255 -11.029 6.027 1.00 0.00 C ATOM 1622 C GLU A 103 9.455 -11.691 5.356 1.00 0.00 C ATOM 1623 O GLU A 103 10.459 -11.985 6.005 1.00 0.00 O ATOM 1624 CB GLU A 103 7.164 -12.070 6.285 1.00 0.00 C ATOM 1625 CG GLU A 103 6.242 -11.712 7.439 1.00 0.00 C ATOM 1626 CD GLU A 103 5.192 -12.775 7.698 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.555 -13.858 8.202 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.006 -12.523 7.397 1.00 0.00 O ATOM 0 H GLU A 103 6.721 -9.946 5.093 1.00 0.00 H new ATOM 0 HA GLU A 103 8.579 -10.608 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.569 -12.192 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.633 -13.032 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.836 -11.565 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.749 -10.764 7.224 1.00 0.00 H new ATOM 1635 N SER A 104 9.343 -11.921 4.052 1.00 0.00 N ATOM 1636 CA SER A 104 10.417 -12.552 3.292 1.00 0.00 C ATOM 1637 C SER A 104 10.881 -11.647 2.155 1.00 0.00 C ATOM 1638 O SER A 104 10.134 -10.809 1.649 1.00 0.00 O ATOM 1639 CB SER A 104 9.951 -13.897 2.731 1.00 0.00 C ATOM 1640 OG SER A 104 9.262 -13.727 1.505 1.00 0.00 O ATOM 0 H SER A 104 8.520 -11.680 3.499 1.00 0.00 H new ATOM 0 HA SER A 104 11.257 -12.719 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.811 -14.550 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.299 -14.389 3.453 1.00 0.00 H new ATOM 0 HG SER A 104 8.976 -14.601 1.167 1.00 0.00 H new ATOM 1646 N PRO A 105 12.146 -11.819 1.742 1.00 0.00 N ATOM 1647 CA PRO A 105 12.740 -11.029 0.660 1.00 0.00 C ATOM 1648 C PRO A 105 12.145 -11.371 -0.702 1.00 0.00 C ATOM 1649 O PRO A 105 12.195 -10.565 -1.631 1.00 0.00 O ATOM 1650 CB PRO A 105 14.220 -11.415 0.709 1.00 0.00 C ATOM 1651 CG PRO A 105 14.236 -12.772 1.323 1.00 0.00 C ATOM 1652 CD PRO A 105 13.093 -12.800 2.299 1.00 0.00 C ATOM 0 HA PRO A 105 12.560 -9.962 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.660 -11.426 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.795 -10.705 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.119 -13.545 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.184 -12.961 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.649 -13.793 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.415 -12.523 3.303 1.00 0.00 H new ATOM 1660 N GLU A 106 11.582 -12.570 -0.813 1.00 0.00 N ATOM 1661 CA GLU A 106 10.977 -13.017 -2.062 1.00 0.00 C ATOM 1662 C GLU A 106 9.643 -12.317 -2.302 1.00 0.00 C ATOM 1663 O GLU A 106 9.145 -12.278 -3.427 1.00 0.00 O ATOM 1664 CB GLU A 106 10.774 -14.534 -2.042 1.00 0.00 C ATOM 1665 CG GLU A 106 12.028 -15.320 -2.387 1.00 0.00 C ATOM 1666 CD GLU A 106 12.897 -15.595 -1.175 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.375 -15.524 -0.043 1.00 0.00 O ATOM 1668 OE2 GLU A 106 14.098 -15.881 -1.360 1.00 0.00 O ATOM 0 H GLU A 106 11.532 -13.249 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 106 11.654 -12.759 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.429 -14.833 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.985 -14.796 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.744 -16.266 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.607 -14.767 -3.126 1.00 0.00 H new ATOM 1675 N GLU A 107 9.069 -11.767 -1.236 1.00 0.00 N ATOM 1676 CA GLU A 107 7.792 -11.071 -1.331 1.00 0.00 C ATOM 1677 C GLU A 107 7.987 -9.643 -1.834 1.00 0.00 C ATOM 1678 O GLU A 107 7.367 -9.231 -2.815 1.00 0.00 O ATOM 1679 CB GLU A 107 7.093 -11.052 0.030 1.00 0.00 C ATOM 1680 CG GLU A 107 6.557 -12.408 0.457 1.00 0.00 C ATOM 1681 CD GLU A 107 6.471 -12.554 1.964 1.00 0.00 C ATOM 1682 OE1 GLU A 107 6.217 -11.538 2.645 1.00 0.00 O ATOM 1683 OE2 GLU A 107 6.658 -13.684 2.462 1.00 0.00 O ATOM 0 H GLU A 107 9.468 -11.790 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 107 7.167 -11.608 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.794 -10.694 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.269 -10.339 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.567 -12.556 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.200 -13.191 0.056 1.00 0.00 H new ATOM 1690 N GLN A 108 8.851 -8.896 -1.156 1.00 0.00 N ATOM 1691 CA GLN A 108 9.126 -7.514 -1.533 1.00 0.00 C ATOM 1692 C GLN A 108 9.596 -7.429 -2.981 1.00 0.00 C ATOM 1693 O GLN A 108 8.930 -6.830 -3.825 1.00 0.00 O ATOM 1694 CB GLN A 108 10.182 -6.911 -0.605 1.00 0.00 C ATOM 1695 CG GLN A 108 10.869 -5.683 -1.182 1.00 0.00 C ATOM 1696 CD GLN A 108 11.932 -5.122 -0.259 1.00 0.00 C ATOM 1697 OE1 GLN A 108 11.819 -3.995 0.224 1.00 0.00 O ATOM 1698 NE2 GLN A 108 12.974 -5.907 -0.009 1.00 0.00 N ATOM 0 H GLN A 108 9.373 -9.224 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 108 8.201 -6.946 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.712 -6.643 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.935 -7.668 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.323 -5.941 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.123 -4.914 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.027 -6.834 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.721 -5.583 0.605 1.00 0.00 H new ATOM 1707 N GLU A 109 10.747 -8.032 -3.262 1.00 0.00 N ATOM 1708 CA GLU A 109 11.305 -8.022 -4.609 1.00 0.00 C ATOM 1709 C GLU A 109 10.206 -8.180 -5.655 1.00 0.00 C ATOM 1710 O GLU A 109 10.192 -7.480 -6.667 1.00 0.00 O ATOM 1711 CB GLU A 109 12.338 -9.141 -4.765 1.00 0.00 C ATOM 1712 CG GLU A 109 11.729 -10.482 -5.140 1.00 0.00 C ATOM 1713 CD GLU A 109 12.778 -11.526 -5.473 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.850 -11.145 -5.988 1.00 0.00 O ATOM 1715 OE2 GLU A 109 12.527 -12.722 -5.218 1.00 0.00 O ATOM 0 H GLU A 109 11.311 -8.533 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 109 11.794 -7.061 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.061 -8.853 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.888 -9.250 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.114 -10.841 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.068 -10.350 -5.997 1.00 0.00 H new ATOM 1722 N ALA A 110 9.285 -9.105 -5.402 1.00 0.00 N ATOM 1723 CA ALA A 110 8.181 -9.354 -6.320 1.00 0.00 C ATOM 1724 C ALA A 110 7.165 -8.218 -6.279 1.00 0.00 C ATOM 1725 O ALA A 110 6.556 -7.880 -7.294 1.00 0.00 O ATOM 1726 CB ALA A 110 7.508 -10.678 -5.989 1.00 0.00 C ATOM 0 H ALA A 110 9.282 -9.694 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 110 8.587 -9.407 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.685 -10.851 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.233 -11.487 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.123 -10.646 -4.970 1.00 0.00 H new ATOM 1732 N TRP A 111 6.988 -7.632 -5.101 1.00 0.00 N ATOM 1733 CA TRP A 111 6.045 -6.533 -4.928 1.00 0.00 C ATOM 1734 C TRP A 111 6.527 -5.282 -5.655 1.00 0.00 C ATOM 1735 O TRP A 111 5.742 -4.590 -6.303 1.00 0.00 O ATOM 1736 CB TRP A 111 5.849 -6.231 -3.441 1.00 0.00 C ATOM 1737 CG TRP A 111 4.724 -7.002 -2.821 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.828 -8.000 -1.894 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.326 -6.841 -3.085 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.578 -8.468 -1.566 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.640 -7.773 -2.282 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.587 -5.998 -3.920 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.252 -7.885 -2.292 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.210 -6.111 -3.929 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.554 -7.048 -3.119 1.00 0.00 C ATOM 0 H TRP A 111 7.485 -7.899 -4.251 1.00 0.00 H new ATOM 0 HA TRP A 111 5.090 -6.835 -5.359 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.772 -6.457 -2.907 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.661 -5.165 -3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.755 -8.367 -1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.381 -9.213 -0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.083 -5.272 -4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.745 -8.607 -1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.629 -5.466 -4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.524 -7.111 -3.148 1.00 0.00 H new ATOM 1756 N ILE A 112 7.820 -4.999 -5.542 1.00 0.00 N ATOM 1757 CA ILE A 112 8.406 -3.833 -6.190 1.00 0.00 C ATOM 1758 C ILE A 112 8.178 -3.869 -7.697 1.00 0.00 C ATOM 1759 O ILE A 112 7.898 -2.844 -8.317 1.00 0.00 O ATOM 1760 CB ILE A 112 9.917 -3.734 -5.912 1.00 0.00 C ATOM 1761 CG1 ILE A 112 10.166 -3.359 -4.450 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.561 -2.715 -6.842 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.607 -3.524 -4.020 1.00 0.00 C ATOM 0 H ILE A 112 8.482 -5.562 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 112 7.910 -2.957 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 112 10.370 -4.707 -6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.865 -2.323 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.532 -3.975 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.629 -2.656 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.410 -3.021 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.106 -1.738 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.709 -3.240 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.907 -4.564 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.245 -2.887 -4.632 1.00 0.00 H new ATOM 1775 N GLN A 113 8.300 -5.058 -8.280 1.00 0.00 N ATOM 1776 CA GLN A 113 8.107 -5.228 -9.715 1.00 0.00 C ATOM 1777 C GLN A 113 6.763 -4.656 -10.155 1.00 0.00 C ATOM 1778 O GLN A 113 6.680 -3.930 -11.145 1.00 0.00 O ATOM 1779 CB GLN A 113 8.192 -6.708 -10.091 1.00 0.00 C ATOM 1780 CG GLN A 113 9.524 -7.349 -9.738 1.00 0.00 C ATOM 1781 CD GLN A 113 9.892 -8.484 -10.674 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.031 -9.248 -11.111 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.177 -8.599 -10.989 1.00 0.00 N ATOM 0 H GLN A 113 8.531 -5.917 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 113 8.899 -4.684 -10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.392 -7.249 -9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.020 -6.813 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.307 -6.591 -9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.482 -7.725 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.857 -7.944 -10.604 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.484 -9.343 -11.616 1.00 0.00 H new ATOM 1792 N ALA A 114 5.712 -4.989 -9.412 1.00 0.00 N ATOM 1793 CA ALA A 114 4.372 -4.507 -9.724 1.00 0.00 C ATOM 1794 C ALA A 114 4.170 -3.083 -9.220 1.00 0.00 C ATOM 1795 O ALA A 114 3.836 -2.183 -9.991 1.00 0.00 O ATOM 1796 CB ALA A 114 3.325 -5.435 -9.126 1.00 0.00 C ATOM 0 H ALA A 114 5.763 -5.591 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 114 4.258 -4.500 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.329 -5.063 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.448 -6.436 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.447 -5.471 -8.043 1.00 0.00 H new ATOM 1802 N MET A 115 4.373 -2.885 -7.922 1.00 0.00 N ATOM 1803 CA MET A 115 4.212 -1.568 -7.315 1.00 0.00 C ATOM 1804 C MET A 115 5.156 -0.556 -7.957 1.00 0.00 C ATOM 1805 O MET A 115 4.718 0.452 -8.509 1.00 0.00 O ATOM 1806 CB MET A 115 4.472 -1.642 -5.809 1.00 0.00 C ATOM 1807 CG MET A 115 3.279 -2.143 -5.011 1.00 0.00 C ATOM 1808 SD MET A 115 3.299 -1.573 -3.301 1.00 0.00 S ATOM 1809 CE MET A 115 2.888 -3.085 -2.434 1.00 0.00 C ATOM 0 H MET A 115 4.649 -3.619 -7.270 1.00 0.00 H new ATOM 0 HA MET A 115 3.186 -1.240 -7.483 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.322 -2.299 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.751 -0.652 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.359 -1.808 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.268 -3.233 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.774 -2.875 -1.370 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.954 -3.487 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.685 -3.814 -2.577 1.00 0.00 H new ATOM 1819 N GLY A 116 6.455 -0.832 -7.879 1.00 0.00 N ATOM 1820 CA GLY A 116 7.439 0.065 -8.456 1.00 0.00 C ATOM 1821 C GLY A 116 7.089 0.477 -9.872 1.00 0.00 C ATOM 1822 O GLY A 116 7.076 1.664 -10.195 1.00 0.00 O ATOM 0 H GLY A 116 6.843 -1.660 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.524 0.955 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.415 -0.421 -8.453 1.00 0.00 H new ATOM 1826 N GLU A 117 6.806 -0.508 -10.720 1.00 0.00 N ATOM 1827 CA GLU A 117 6.457 -0.241 -12.110 1.00 0.00 C ATOM 1828 C GLU A 117 5.162 0.561 -12.202 1.00 0.00 C ATOM 1829 O GLU A 117 5.122 1.628 -12.813 1.00 0.00 O ATOM 1830 CB GLU A 117 6.314 -1.553 -12.884 1.00 0.00 C ATOM 1831 CG GLU A 117 7.642 -2.166 -13.295 1.00 0.00 C ATOM 1832 CD GLU A 117 7.521 -3.060 -14.514 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.001 -2.588 -15.546 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.946 -4.231 -14.434 1.00 0.00 O ATOM 0 H GLU A 117 6.812 -1.496 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 117 7.260 0.348 -12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.767 -2.269 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.714 -1.375 -13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.356 -1.369 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.043 -2.745 -12.463 1.00 0.00 H new ATOM 1841 N ALA A 118 4.105 0.037 -11.590 1.00 0.00 N ATOM 1842 CA ALA A 118 2.808 0.703 -11.601 1.00 0.00 C ATOM 1843 C ALA A 118 2.928 2.145 -11.120 1.00 0.00 C ATOM 1844 O ALA A 118 2.077 2.982 -11.418 1.00 0.00 O ATOM 1845 CB ALA A 118 1.814 -0.062 -10.740 1.00 0.00 C ATOM 0 H ALA A 118 4.121 -0.846 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 118 2.444 0.719 -12.628 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.850 0.447 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.698 -1.073 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.181 -0.108 -9.715 1.00 0.00 H new ATOM 1851 N ALA A 119 3.990 2.429 -10.372 1.00 0.00 N ATOM 1852 CA ALA A 119 4.221 3.770 -9.850 1.00 0.00 C ATOM 1853 C ALA A 119 4.799 4.685 -10.925 1.00 0.00 C ATOM 1854 O ALA A 119 4.361 5.824 -11.084 1.00 0.00 O ATOM 1855 CB ALA A 119 5.149 3.715 -8.646 1.00 0.00 C ATOM 0 H ALA A 119 4.704 1.748 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 119 3.262 4.182 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.313 4.724 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.697 3.103 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.103 3.279 -8.942 1.00 0.00 H new ATOM 1861 N ARG A 120 5.784 4.178 -11.660 1.00 0.00 N ATOM 1862 CA ARG A 120 6.422 4.951 -12.718 1.00 0.00 C ATOM 1863 C ARG A 120 5.390 5.754 -13.504 1.00 0.00 C ATOM 1864 O ARG A 120 4.252 5.318 -13.681 1.00 0.00 O ATOM 1865 CB ARG A 120 7.190 4.025 -13.663 1.00 0.00 C ATOM 1866 CG ARG A 120 8.635 3.797 -13.251 1.00 0.00 C ATOM 1867 CD ARG A 120 9.150 2.454 -13.745 1.00 0.00 C ATOM 1868 NE ARG A 120 9.264 2.413 -15.200 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.927 1.469 -15.859 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.532 0.493 -15.196 1.00 0.00 N ATOM 1871 NH2 ARG A 120 9.986 1.501 -17.184 1.00 0.00 N ATOM 0 H ARG A 120 6.157 3.236 -11.542 1.00 0.00 H new ATOM 0 HA ARG A 120 7.121 5.647 -12.253 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.679 3.064 -13.711 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.170 4.447 -14.668 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.259 4.596 -13.651 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.716 3.842 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.124 2.253 -13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.478 1.663 -13.412 1.00 0.00 H new ATOM 0 HE ARG A 120 8.810 3.149 -15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.489 0.466 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.040 -0.230 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.522 2.251 -17.697 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.495 0.776 -17.689 1.00 0.00 H new