USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 998 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 131 GLN : amide:sc= 0.658 K(o=1.2,f=-2.8!) USER MOD Set 1.2: A 134 LYS NZ :NH3+ -125:sc= 0.493 (180deg=-0.525) USER MOD Set 2.1: A 127 LYS NZ :NH3+ -179:sc= 1.83 (180deg=0.605) USER MOD Set 2.2: A 128 SER OG : rot -89:sc= 0.959 USER MOD Set 3.1: A 78 LYS NZ :NH3+ -160:sc= 2.38 (180deg=0.381) USER MOD Set 3.2: A 120 THR OG1 : rot 180:sc= 0.813 USER MOD Single : A 8 HIS : no HE2:sc= 0.981 K(o=0.98,f=-5.3!) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= 1.3 (180deg=0.655) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.000721 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 0.607 (180deg=-0.435) USER MOD Single : A 22 THR OG1 : rot 76:sc= -1.17 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 145:sc= -0.0529 (180deg=-1.08) USER MOD Single : A 27 TYR OH : rot 60:sc= 0.5 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.581 K(o=0.58,f=-0.46) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 100:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -165:sc= 0.801 USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 1.02 (180deg=0.878) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.03) USER MOD Single : A 65 MET CE :methyl -143:sc= -0.173 (180deg=-0.779) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 0.226 (180deg=-0.198) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.17) USER MOD Single : A 80 GLN : amide:sc= 0.295 X(o=0.3,f=-0.014) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.0712 (180deg=-0.436) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -20:sc= 1.57 USER MOD Single : A 93 TYR OH : rot 27:sc= 1.21 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.477 K(o=0.48,f=-6.6!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.139 F(o=-0.67,f=-0.14) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 1.64 K(o=1.6,f=-7.2!) USER MOD Single : A 119 ASN : amide:sc= -0.704 K(o=-0.7,f=-5.1!) USER MOD Single : A 121 HIS : no HD1:sc= -0.0936 K(o=-0.094,f=-3.2!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 LYS NZ :NH3+ -120:sc= 1.23 (180deg=0.141) USER MOD Single : A 136 LYS NZ :NH3+ 172:sc= -0.0239 (180deg=-0.123) USER MOD Single : A 138 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.085) USER MOD Single : A 141 SER OG : rot -29:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -5.020 -16.421 2.557 1.00 0.00 N ATOM 116 CA HIS A 8 -4.673 -17.222 1.393 1.00 0.00 C ATOM 117 C HIS A 8 -4.590 -16.356 0.153 1.00 0.00 C ATOM 118 O HIS A 8 -5.383 -15.424 0.006 1.00 0.00 O ATOM 119 CB HIS A 8 -5.750 -18.327 1.184 1.00 0.00 C ATOM 120 CG HIS A 8 -7.179 -17.806 1.054 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.911 -17.839 -0.114 1.00 0.00 N ATOM 122 CD2 HIS A 8 -8.002 -17.246 1.981 1.00 0.00 C ATOM 123 CE1 HIS A 8 -9.100 -17.329 0.100 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.184 -16.962 1.358 1.00 0.00 N ATOM 0 HA HIS A 8 -3.699 -17.681 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.501 -18.893 0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.706 -19.022 2.022 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.579 -18.204 -1.007 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.765 -17.060 3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.882 -17.227 -0.638 1.00 0.00 H new ATOM 133 N LYS A 9 -3.645 -16.658 -0.716 1.00 0.00 N ATOM 134 CA LYS A 9 -3.511 -15.936 -1.972 1.00 0.00 C ATOM 135 C LYS A 9 -4.370 -16.527 -3.072 1.00 0.00 C ATOM 136 O LYS A 9 -4.431 -17.749 -3.257 1.00 0.00 O ATOM 137 CB LYS A 9 -2.064 -15.837 -2.462 1.00 0.00 C ATOM 138 CG LYS A 9 -1.339 -14.555 -2.066 1.00 0.00 C ATOM 139 CD LYS A 9 -0.835 -14.538 -0.637 1.00 0.00 C ATOM 140 CE LYS A 9 0.282 -15.537 -0.396 1.00 0.00 C ATOM 141 NZ LYS A 9 0.822 -15.415 0.969 1.00 0.00 N ATOM 0 H LYS A 9 -2.957 -17.398 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.862 -14.929 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.505 -16.688 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.057 -15.920 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.494 -14.407 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.013 -13.711 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.480 -13.537 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.663 -14.755 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.092 -16.549 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.080 -15.376 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.378 -16.263 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.432 -14.574 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.038 -15.321 1.646 1.00 0.00 H new ATOM 155 N GLU A 10 -5.037 -15.657 -3.771 1.00 0.00 N ATOM 156 CA GLU A 10 -5.855 -15.984 -4.922 1.00 0.00 C ATOM 157 C GLU A 10 -5.301 -15.194 -6.108 1.00 0.00 C ATOM 158 O GLU A 10 -4.936 -14.031 -5.935 1.00 0.00 O ATOM 159 CB GLU A 10 -7.313 -15.554 -4.682 1.00 0.00 C ATOM 160 CG GLU A 10 -7.994 -16.201 -3.490 1.00 0.00 C ATOM 161 CD GLU A 10 -8.056 -17.698 -3.596 1.00 0.00 C ATOM 162 OE1 GLU A 10 -8.583 -18.210 -4.604 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.593 -18.386 -2.671 1.00 0.00 O ATOM 0 H GLU A 10 -5.032 -14.660 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.833 -17.058 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.338 -14.472 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.893 -15.780 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.460 -15.928 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.006 -15.806 -3.397 1.00 0.00 H new ATOM 170 N PRO A 11 -5.239 -15.776 -7.312 1.00 0.00 N ATOM 171 CA PRO A 11 -4.670 -15.091 -8.473 1.00 0.00 C ATOM 172 C PRO A 11 -5.589 -13.978 -8.987 1.00 0.00 C ATOM 173 O PRO A 11 -6.824 -14.080 -8.895 1.00 0.00 O ATOM 174 CB PRO A 11 -4.517 -16.204 -9.512 1.00 0.00 C ATOM 175 CG PRO A 11 -5.547 -17.219 -9.146 1.00 0.00 C ATOM 176 CD PRO A 11 -5.745 -17.120 -7.652 1.00 0.00 C ATOM 0 HA PRO A 11 -3.729 -14.594 -8.239 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.677 -15.826 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.515 -16.632 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.482 -17.029 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.220 -18.220 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.795 -17.232 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.195 -17.899 -7.124 1.00 0.00 H new ATOM 184 N ALA A 12 -4.998 -12.925 -9.501 1.00 0.00 N ATOM 185 CA ALA A 12 -5.731 -11.791 -10.005 1.00 0.00 C ATOM 186 C ALA A 12 -4.938 -11.108 -11.102 1.00 0.00 C ATOM 187 O ALA A 12 -3.782 -11.450 -11.351 1.00 0.00 O ATOM 188 CB ALA A 12 -5.994 -10.814 -8.873 1.00 0.00 C ATOM 0 H ALA A 12 -3.985 -12.832 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.681 -12.131 -10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.548 -9.956 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.577 -11.307 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.045 -10.477 -8.456 1.00 0.00 H new ATOM 194 N THR A 13 -5.563 -10.177 -11.776 1.00 0.00 N ATOM 195 CA THR A 13 -4.928 -9.386 -12.813 1.00 0.00 C ATOM 196 C THR A 13 -5.526 -7.977 -12.752 1.00 0.00 C ATOM 197 O THR A 13 -6.725 -7.848 -12.606 1.00 0.00 O ATOM 198 CB THR A 13 -5.198 -10.016 -14.200 1.00 0.00 C ATOM 199 OG1 THR A 13 -4.792 -11.403 -14.179 1.00 0.00 O ATOM 200 CG2 THR A 13 -4.422 -9.288 -15.293 1.00 0.00 C ATOM 0 H THR A 13 -6.543 -9.939 -11.622 1.00 0.00 H new ATOM 0 HA THR A 13 -3.849 -9.351 -12.660 1.00 0.00 H new ATOM 0 HB THR A 13 -6.263 -9.933 -14.415 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.963 -11.807 -15.055 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.630 -9.751 -16.257 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.726 -8.242 -15.320 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.354 -9.350 -15.084 1.00 0.00 H new ATOM 208 N LEU A 14 -4.702 -6.934 -12.832 1.00 0.00 N ATOM 209 CA LEU A 14 -5.199 -5.554 -12.690 1.00 0.00 C ATOM 210 C LEU A 14 -6.089 -5.132 -13.862 1.00 0.00 C ATOM 211 O LEU A 14 -5.947 -5.629 -14.978 1.00 0.00 O ATOM 212 CB LEU A 14 -4.044 -4.539 -12.577 1.00 0.00 C ATOM 213 CG LEU A 14 -4.489 -3.076 -12.364 1.00 0.00 C ATOM 214 CD1 LEU A 14 -4.980 -2.838 -10.947 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.423 -2.080 -12.771 1.00 0.00 C ATOM 0 H LEU A 14 -3.697 -7.009 -12.992 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.787 -5.551 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.400 -4.833 -11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.441 -4.593 -13.484 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.335 -2.907 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.284 -1.797 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.831 -3.488 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.178 -3.058 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.788 -1.067 -12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.524 -2.247 -12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.189 -2.209 -13.828 1.00 0.00 H new ATOM 227 N ILE A 15 -7.021 -4.247 -13.574 1.00 0.00 N ATOM 228 CA ILE A 15 -7.822 -3.612 -14.579 1.00 0.00 C ATOM 229 C ILE A 15 -7.462 -2.117 -14.588 1.00 0.00 C ATOM 230 O ILE A 15 -6.976 -1.599 -15.594 1.00 0.00 O ATOM 231 CB ILE A 15 -9.346 -3.823 -14.321 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.693 -5.325 -14.400 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.198 -3.013 -15.298 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.153 -5.638 -14.192 1.00 0.00 C ATOM 0 H ILE A 15 -7.240 -3.951 -12.623 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.614 -4.057 -15.552 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.574 -3.462 -13.318 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.388 -5.705 -15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.109 -5.860 -13.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.254 -3.185 -15.089 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.973 -1.953 -15.184 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.975 -3.324 -16.319 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.308 -6.715 -14.264 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.462 -5.292 -13.206 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.745 -5.134 -14.956 1.00 0.00 H new ATOM 246 N LYS A 16 -7.656 -1.454 -13.428 1.00 0.00 N ATOM 247 CA LYS A 16 -7.323 -0.029 -13.204 1.00 0.00 C ATOM 248 C LYS A 16 -7.258 0.245 -11.717 1.00 0.00 C ATOM 249 O LYS A 16 -7.877 -0.464 -10.931 1.00 0.00 O ATOM 250 CB LYS A 16 -8.338 0.947 -13.851 1.00 0.00 C ATOM 251 CG LYS A 16 -8.199 1.128 -15.354 1.00 0.00 C ATOM 252 CD LYS A 16 -6.874 1.789 -15.719 1.00 0.00 C ATOM 253 CE LYS A 16 -6.638 1.776 -17.217 1.00 0.00 C ATOM 254 NZ LYS A 16 -6.503 0.393 -17.731 1.00 0.00 N ATOM 0 H LYS A 16 -8.056 -1.902 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.359 0.146 -13.681 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.346 0.592 -13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.235 1.921 -13.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.270 0.158 -15.846 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.024 1.735 -15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.868 2.817 -15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.057 1.270 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.466 2.274 -17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.736 2.342 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.605 0.301 -18.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.516 -0.276 -16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.294 0.182 -18.373 1.00 0.00 H new ATOM 268 N ALA A 17 -6.512 1.242 -11.330 1.00 0.00 N ATOM 269 CA ALA A 17 -6.406 1.606 -9.935 1.00 0.00 C ATOM 270 C ALA A 17 -7.433 2.684 -9.621 1.00 0.00 C ATOM 271 O ALA A 17 -7.689 3.552 -10.447 1.00 0.00 O ATOM 272 CB ALA A 17 -5.000 2.101 -9.623 1.00 0.00 C ATOM 0 H ALA A 17 -5.963 1.824 -11.962 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.602 0.731 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.935 2.372 -8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.280 1.312 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.777 2.974 -10.236 1.00 0.00 H new ATOM 278 N ILE A 18 -8.030 2.623 -8.456 1.00 0.00 N ATOM 279 CA ILE A 18 -9.028 3.610 -8.061 1.00 0.00 C ATOM 280 C ILE A 18 -8.309 4.732 -7.311 1.00 0.00 C ATOM 281 O ILE A 18 -8.541 5.931 -7.552 1.00 0.00 O ATOM 282 CB ILE A 18 -10.124 2.958 -7.161 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.845 1.806 -7.904 1.00 0.00 C ATOM 284 CG2 ILE A 18 -11.127 3.983 -6.645 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.557 2.218 -9.184 1.00 0.00 C ATOM 0 H ILE A 18 -7.848 1.902 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.529 4.010 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.614 2.539 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.114 1.034 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.573 1.357 -7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.870 3.484 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.606 4.736 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.623 4.464 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.032 1.346 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.316 2.966 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.834 2.638 -9.883 1.00 0.00 H new ATOM 297 N ASP A 19 -7.437 4.314 -6.427 1.00 0.00 N ATOM 298 CA ASP A 19 -6.541 5.160 -5.669 1.00 0.00 C ATOM 299 C ASP A 19 -5.360 4.312 -5.260 1.00 0.00 C ATOM 300 O ASP A 19 -5.041 3.357 -5.970 1.00 0.00 O ATOM 301 CB ASP A 19 -7.207 5.881 -4.460 1.00 0.00 C ATOM 302 CG ASP A 19 -7.914 4.997 -3.453 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.285 4.103 -2.863 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.116 5.242 -3.192 1.00 0.00 O ATOM 0 H ASP A 19 -7.325 3.325 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.220 5.987 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.438 6.449 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.928 6.602 -4.847 1.00 0.00 H new ATOM 309 N GLY A 20 -4.691 4.656 -4.189 1.00 0.00 N ATOM 310 CA GLY A 20 -3.519 3.917 -3.793 1.00 0.00 C ATOM 311 C GLY A 20 -3.849 2.606 -3.110 1.00 0.00 C ATOM 312 O GLY A 20 -3.135 1.628 -3.271 1.00 0.00 O ATOM 0 H GLY A 20 -4.935 5.437 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.907 3.718 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.920 4.530 -3.120 1.00 0.00 H new ATOM 316 N ASP A 21 -4.947 2.580 -2.388 1.00 0.00 N ATOM 317 CA ASP A 21 -5.315 1.410 -1.573 1.00 0.00 C ATOM 318 C ASP A 21 -6.487 0.672 -2.212 1.00 0.00 C ATOM 319 O ASP A 21 -6.653 -0.530 -2.062 1.00 0.00 O ATOM 320 CB ASP A 21 -5.632 1.878 -0.128 1.00 0.00 C ATOM 321 CG ASP A 21 -6.090 0.783 0.844 1.00 0.00 C ATOM 322 OD1 ASP A 21 -5.538 -0.328 0.842 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.986 1.078 1.672 1.00 0.00 O ATOM 0 H ASP A 21 -5.612 3.351 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.484 0.706 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.741 2.353 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.408 2.642 -0.176 1.00 0.00 H new ATOM 328 N THR A 22 -7.274 1.401 -2.959 1.00 0.00 N ATOM 329 CA THR A 22 -8.395 0.835 -3.649 1.00 0.00 C ATOM 330 C THR A 22 -8.025 0.626 -5.121 1.00 0.00 C ATOM 331 O THR A 22 -7.642 1.580 -5.818 1.00 0.00 O ATOM 332 CB THR A 22 -9.573 1.808 -3.594 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.684 2.347 -2.284 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.879 1.129 -3.967 1.00 0.00 C ATOM 0 H THR A 22 -7.153 2.403 -3.104 1.00 0.00 H new ATOM 0 HA THR A 22 -8.663 -0.112 -3.180 1.00 0.00 H new ATOM 0 HB THR A 22 -9.384 2.602 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.988 3.023 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.693 1.853 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.807 0.734 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.076 0.312 -3.272 1.00 0.00 H new ATOM 342 N VAL A 23 -8.133 -0.582 -5.604 1.00 0.00 N ATOM 343 CA VAL A 23 -7.848 -0.875 -6.994 1.00 0.00 C ATOM 344 C VAL A 23 -8.940 -1.749 -7.551 1.00 0.00 C ATOM 345 O VAL A 23 -9.722 -2.324 -6.798 1.00 0.00 O ATOM 346 CB VAL A 23 -6.468 -1.573 -7.210 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.317 -0.683 -6.772 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.408 -2.912 -6.496 1.00 0.00 C ATOM 0 H VAL A 23 -8.419 -1.391 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.804 0.081 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.364 -1.753 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.373 -1.202 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.330 0.240 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.421 -0.448 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.435 -3.372 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.556 -2.761 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.190 -3.565 -6.882 1.00 0.00 H new ATOM 358 N LYS A 24 -9.016 -1.836 -8.843 1.00 0.00 N ATOM 359 CA LYS A 24 -9.987 -2.670 -9.465 1.00 0.00 C ATOM 360 C LYS A 24 -9.270 -3.664 -10.341 1.00 0.00 C ATOM 361 O LYS A 24 -8.511 -3.285 -11.251 1.00 0.00 O ATOM 362 CB LYS A 24 -10.971 -1.844 -10.280 1.00 0.00 C ATOM 363 CG LYS A 24 -12.149 -2.654 -10.790 1.00 0.00 C ATOM 364 CD LYS A 24 -13.153 -1.799 -11.558 1.00 0.00 C ATOM 365 CE LYS A 24 -12.542 -1.140 -12.798 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.539 -0.348 -13.552 1.00 0.00 N ATOM 0 H LYS A 24 -8.409 -1.333 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.561 -3.196 -8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.341 -1.022 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.449 -1.400 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.785 -3.452 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.651 -3.131 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.997 -2.420 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.546 -1.026 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.718 -0.493 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.123 -1.908 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.085 0.081 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.313 -0.969 -13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.921 0.402 -12.941 1.00 0.00 H new ATOM 380 N LEU A 25 -9.479 -4.906 -10.074 1.00 0.00 N ATOM 381 CA LEU A 25 -8.814 -5.940 -10.783 1.00 0.00 C ATOM 382 C LEU A 25 -9.773 -7.047 -11.172 1.00 0.00 C ATOM 383 O LEU A 25 -10.945 -7.034 -10.783 1.00 0.00 O ATOM 384 CB LEU A 25 -7.586 -6.447 -9.977 1.00 0.00 C ATOM 385 CG LEU A 25 -7.790 -6.867 -8.505 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.595 -8.148 -8.376 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.449 -7.000 -7.803 1.00 0.00 C ATOM 0 H LEU A 25 -10.121 -5.234 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.431 -5.536 -11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.170 -7.302 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.831 -5.661 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.368 -6.080 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.711 -8.401 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.578 -8.007 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.075 -8.958 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.609 -7.297 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.847 -7.756 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.927 -6.043 -7.830 1.00 0.00 H new ATOM 399 N MET A 26 -9.294 -7.961 -11.954 1.00 0.00 N ATOM 400 CA MET A 26 -10.068 -9.080 -12.374 1.00 0.00 C ATOM 401 C MET A 26 -9.894 -10.179 -11.360 1.00 0.00 C ATOM 402 O MET A 26 -8.770 -10.641 -11.122 1.00 0.00 O ATOM 403 CB MET A 26 -9.627 -9.581 -13.753 1.00 0.00 C ATOM 404 CG MET A 26 -10.504 -10.715 -14.279 1.00 0.00 C ATOM 405 SD MET A 26 -10.044 -11.287 -15.931 1.00 0.00 S ATOM 406 CE MET A 26 -8.371 -11.865 -15.645 1.00 0.00 C ATOM 0 H MET A 26 -8.343 -7.949 -12.322 1.00 0.00 H new ATOM 0 HA MET A 26 -11.113 -8.781 -12.450 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.650 -8.752 -14.460 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.594 -9.923 -13.697 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.450 -11.555 -13.586 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.542 -10.381 -14.296 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.176 -12.737 -16.269 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.665 -11.073 -15.896 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.254 -12.137 -14.596 1.00 0.00 H new ATOM 416 N TYR A 27 -10.968 -10.553 -10.746 1.00 0.00 N ATOM 417 CA TYR A 27 -10.978 -11.585 -9.757 1.00 0.00 C ATOM 418 C TYR A 27 -11.989 -12.631 -10.153 1.00 0.00 C ATOM 419 O TYR A 27 -13.171 -12.341 -10.232 1.00 0.00 O ATOM 420 CB TYR A 27 -11.334 -10.989 -8.395 1.00 0.00 C ATOM 421 CG TYR A 27 -11.455 -12.015 -7.303 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.337 -12.652 -6.806 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.695 -12.353 -6.781 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.441 -13.599 -5.822 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.815 -13.294 -5.791 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.692 -13.922 -5.312 1.00 0.00 C ATOM 427 OH TYR A 27 -11.819 -14.882 -4.322 1.00 0.00 O ATOM 0 H TYR A 27 -11.885 -10.141 -10.921 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.992 -12.045 -9.687 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.572 -10.261 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.276 -10.448 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.363 -12.400 -7.199 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.581 -11.867 -7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.557 -14.091 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.787 -13.540 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.306 -14.608 -3.533 1.00 0.00 H new ATOM 437 N LYS A 28 -11.512 -13.824 -10.455 1.00 0.00 N ATOM 438 CA LYS A 28 -12.349 -14.969 -10.837 1.00 0.00 C ATOM 439 C LYS A 28 -13.231 -14.637 -12.039 1.00 0.00 C ATOM 440 O LYS A 28 -14.378 -15.095 -12.141 1.00 0.00 O ATOM 441 CB LYS A 28 -13.188 -15.461 -9.645 1.00 0.00 C ATOM 442 CG LYS A 28 -12.354 -16.026 -8.502 1.00 0.00 C ATOM 443 CD LYS A 28 -13.210 -16.460 -7.314 1.00 0.00 C ATOM 444 CE LYS A 28 -14.182 -17.578 -7.656 1.00 0.00 C ATOM 445 NZ LYS A 28 -14.944 -18.001 -6.463 1.00 0.00 N ATOM 0 H LYS A 28 -10.515 -14.039 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.686 -15.781 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.790 -14.634 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.881 -16.228 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.779 -16.879 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.636 -15.274 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.558 -16.789 -6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.769 -15.601 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.871 -17.242 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.635 -18.428 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.600 -18.765 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.286 -18.343 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.483 -17.193 -6.091 1.00 0.00 H new ATOM 459 N GLY A 29 -12.689 -13.841 -12.941 1.00 0.00 N ATOM 460 CA GLY A 29 -13.395 -13.481 -14.144 1.00 0.00 C ATOM 461 C GLY A 29 -14.293 -12.259 -14.001 1.00 0.00 C ATOM 462 O GLY A 29 -14.883 -11.801 -14.987 1.00 0.00 O ATOM 0 H GLY A 29 -11.758 -13.433 -12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.669 -13.293 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.002 -14.328 -14.463 1.00 0.00 H new ATOM 466 N GLN A 30 -14.415 -11.724 -12.807 1.00 0.00 N ATOM 467 CA GLN A 30 -15.261 -10.563 -12.608 1.00 0.00 C ATOM 468 C GLN A 30 -14.415 -9.355 -12.232 1.00 0.00 C ATOM 469 O GLN A 30 -13.432 -9.492 -11.495 1.00 0.00 O ATOM 470 CB GLN A 30 -16.356 -10.819 -11.536 1.00 0.00 C ATOM 471 CG GLN A 30 -15.824 -11.044 -10.121 1.00 0.00 C ATOM 472 CD GLN A 30 -16.904 -11.294 -9.093 1.00 0.00 C ATOM 473 OE1 GLN A 30 -17.964 -11.834 -9.396 1.00 0.00 O ATOM 474 NE2 GLN A 30 -16.645 -10.926 -7.863 1.00 0.00 N ATOM 0 H GLN A 30 -13.947 -12.066 -11.968 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.772 -10.361 -13.549 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.038 -9.969 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.939 -11.690 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.142 -11.894 -10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.243 -10.172 -9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.755 -10.479 -7.641 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.333 -11.086 -7.127 1.00 0.00 H new ATOM 483 N PRO A 31 -14.717 -8.182 -12.793 1.00 0.00 N ATOM 484 CA PRO A 31 -14.063 -6.949 -12.383 1.00 0.00 C ATOM 485 C PRO A 31 -14.501 -6.598 -10.964 1.00 0.00 C ATOM 486 O PRO A 31 -15.691 -6.313 -10.705 1.00 0.00 O ATOM 487 CB PRO A 31 -14.578 -5.905 -13.385 1.00 0.00 C ATOM 488 CG PRO A 31 -15.840 -6.476 -13.928 1.00 0.00 C ATOM 489 CD PRO A 31 -15.676 -7.966 -13.895 1.00 0.00 C ATOM 0 HA PRO A 31 -12.975 -7.012 -12.379 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.757 -4.946 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.852 -5.729 -14.179 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.696 -6.166 -13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.019 -6.127 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.624 -8.470 -13.707 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.293 -8.349 -14.841 1.00 0.00 H new ATOM 497 N MET A 32 -13.588 -6.641 -10.053 1.00 0.00 N ATOM 498 CA MET A 32 -13.896 -6.457 -8.691 1.00 0.00 C ATOM 499 C MET A 32 -12.940 -5.453 -8.065 1.00 0.00 C ATOM 500 O MET A 32 -11.744 -5.437 -8.370 1.00 0.00 O ATOM 501 CB MET A 32 -13.825 -7.815 -8.013 1.00 0.00 C ATOM 502 CG MET A 32 -14.264 -7.834 -6.582 1.00 0.00 C ATOM 503 SD MET A 32 -14.361 -9.515 -5.939 1.00 0.00 S ATOM 504 CE MET A 32 -14.827 -9.215 -4.242 1.00 0.00 C ATOM 0 H MET A 32 -12.600 -6.807 -10.244 1.00 0.00 H new ATOM 0 HA MET A 32 -14.899 -6.048 -8.568 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.441 -8.517 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.798 -8.177 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 32 -13.566 -7.253 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.238 -7.353 -6.493 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.925 -10.166 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.062 -8.610 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.780 -8.686 -4.214 1.00 0.00 H new ATOM 514 N THR A 33 -13.479 -4.604 -7.243 1.00 0.00 N ATOM 515 CA THR A 33 -12.723 -3.582 -6.579 1.00 0.00 C ATOM 516 C THR A 33 -12.198 -4.131 -5.248 1.00 0.00 C ATOM 517 O THR A 33 -12.954 -4.692 -4.466 1.00 0.00 O ATOM 518 CB THR A 33 -13.631 -2.358 -6.344 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.298 -2.032 -7.585 1.00 0.00 O ATOM 520 CG2 THR A 33 -12.821 -1.156 -5.900 1.00 0.00 C ATOM 0 H THR A 33 -14.472 -4.601 -7.010 1.00 0.00 H new ATOM 0 HA THR A 33 -11.874 -3.278 -7.191 1.00 0.00 H new ATOM 0 HB THR A 33 -14.351 -2.602 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.881 -1.256 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.486 -0.307 -5.742 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.303 -1.390 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.090 -0.906 -6.669 1.00 0.00 H new ATOM 528 N PHE A 34 -10.922 -4.005 -5.038 1.00 0.00 N ATOM 529 CA PHE A 34 -10.254 -4.484 -3.832 1.00 0.00 C ATOM 530 C PHE A 34 -9.624 -3.346 -3.080 1.00 0.00 C ATOM 531 O PHE A 34 -9.062 -2.438 -3.695 1.00 0.00 O ATOM 532 CB PHE A 34 -9.186 -5.522 -4.168 1.00 0.00 C ATOM 533 CG PHE A 34 -9.715 -6.891 -4.428 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.401 -7.190 -5.582 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.523 -7.883 -3.501 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.882 -8.459 -5.799 1.00 0.00 C ATOM 537 CE2 PHE A 34 -10.000 -9.147 -3.712 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.681 -9.438 -4.864 1.00 0.00 C ATOM 0 H PHE A 34 -10.291 -3.560 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.014 -4.950 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.635 -5.186 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.474 -5.572 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.563 -6.422 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.987 -7.663 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.419 -8.684 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.840 -9.916 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.058 -10.436 -5.034 1.00 0.00 H new ATOM 548 N ARG A 35 -9.791 -3.349 -1.777 1.00 0.00 N ATOM 549 CA ARG A 35 -9.189 -2.359 -0.922 1.00 0.00 C ATOM 550 C ARG A 35 -8.895 -2.985 0.457 1.00 0.00 C ATOM 551 O ARG A 35 -9.557 -3.954 0.831 1.00 0.00 O ATOM 552 CB ARG A 35 -10.123 -1.159 -0.731 1.00 0.00 C ATOM 553 CG ARG A 35 -9.422 -0.077 0.014 1.00 0.00 C ATOM 554 CD ARG A 35 -10.252 1.101 0.396 1.00 0.00 C ATOM 555 NE ARG A 35 -9.380 1.987 1.137 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.516 3.268 1.372 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.528 3.963 0.858 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.589 3.863 2.102 1.00 0.00 N ATOM 0 H ARG A 35 -10.351 -4.042 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.266 -2.017 -1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.453 -0.788 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.016 -1.466 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.997 -0.506 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.588 0.274 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.652 1.598 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.104 0.796 1.003 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.544 1.554 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.218 3.498 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.614 4.960 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.800 3.325 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.662 4.860 2.305 1.00 0.00 H new ATOM 572 N LEU A 36 -7.928 -2.466 1.202 1.00 0.00 N ATOM 573 CA LEU A 36 -7.778 -2.874 2.585 1.00 0.00 C ATOM 574 C LEU A 36 -8.493 -1.908 3.507 1.00 0.00 C ATOM 575 O LEU A 36 -8.990 -0.867 3.088 1.00 0.00 O ATOM 576 CB LEU A 36 -6.325 -3.013 3.045 1.00 0.00 C ATOM 577 CG LEU A 36 -5.597 -4.307 2.706 1.00 0.00 C ATOM 578 CD1 LEU A 36 -4.222 -4.281 3.341 1.00 0.00 C ATOM 579 CD2 LEU A 36 -6.376 -5.521 3.211 1.00 0.00 C ATOM 0 H LEU A 36 -7.250 -1.776 0.877 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.226 -3.866 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.757 -2.187 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.302 -2.889 4.128 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.508 -4.388 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.694 -5.204 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.659 -3.431 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.322 -4.189 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.835 -6.432 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.489 -5.456 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.361 -5.541 2.744 1.00 0.00 H new ATOM 591 N LEU A 37 -8.554 -2.259 4.766 1.00 0.00 N ATOM 592 CA LEU A 37 -9.171 -1.405 5.751 1.00 0.00 C ATOM 593 C LEU A 37 -8.133 -1.063 6.830 1.00 0.00 C ATOM 594 O LEU A 37 -8.411 -0.361 7.798 1.00 0.00 O ATOM 595 CB LEU A 37 -10.413 -2.109 6.330 1.00 0.00 C ATOM 596 CG LEU A 37 -11.353 -1.275 7.215 1.00 0.00 C ATOM 597 CD1 LEU A 37 -11.850 -0.048 6.465 1.00 0.00 C ATOM 598 CD2 LEU A 37 -12.531 -2.122 7.650 1.00 0.00 C ATOM 0 H LEU A 37 -8.182 -3.134 5.135 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.508 -0.470 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.996 -2.502 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.073 -2.965 6.913 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.799 -0.943 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.514 0.528 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.000 0.570 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.393 -0.362 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.195 -1.527 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.075 -2.467 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.172 -2.982 8.215 1.00 0.00 H new ATOM 610 N LEU A 38 -6.911 -1.546 6.604 1.00 0.00 N ATOM 611 CA LEU A 38 -5.790 -1.357 7.536 1.00 0.00 C ATOM 612 C LEU A 38 -5.017 -0.100 7.200 1.00 0.00 C ATOM 613 O LEU A 38 -4.332 0.452 8.042 1.00 0.00 O ATOM 614 CB LEU A 38 -4.795 -2.564 7.521 1.00 0.00 C ATOM 615 CG LEU A 38 -5.190 -3.888 8.221 1.00 0.00 C ATOM 616 CD1 LEU A 38 -6.484 -4.437 7.694 1.00 0.00 C ATOM 617 CD2 LEU A 38 -4.103 -4.918 8.010 1.00 0.00 C ATOM 0 H LEU A 38 -6.666 -2.080 5.770 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.231 -1.277 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.581 -2.797 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.862 -2.223 7.970 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.316 -3.672 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.723 -5.366 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.281 -3.713 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.388 -4.632 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.383 -5.849 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.974 -5.098 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.167 -4.551 8.432 1.00 0.00 H new ATOM 629 N VAL A 39 -5.122 0.349 5.968 1.00 0.00 N ATOM 630 CA VAL A 39 -4.365 1.501 5.506 1.00 0.00 C ATOM 631 C VAL A 39 -5.242 2.431 4.708 1.00 0.00 C ATOM 632 O VAL A 39 -6.375 2.103 4.395 1.00 0.00 O ATOM 633 CB VAL A 39 -3.122 1.103 4.643 1.00 0.00 C ATOM 634 CG1 VAL A 39 -2.084 0.396 5.481 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.519 0.224 3.460 1.00 0.00 C ATOM 0 H VAL A 39 -5.728 -0.067 5.261 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.003 2.005 6.402 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.693 2.027 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.231 0.131 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.754 1.055 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.516 -0.509 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.630 -0.033 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.990 -0.688 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.220 0.764 2.824 1.00 0.00 H new ATOM 645 N ASP A 40 -4.734 3.590 4.433 1.00 0.00 N ATOM 646 CA ASP A 40 -5.401 4.578 3.614 1.00 0.00 C ATOM 647 C ASP A 40 -4.328 5.368 2.911 1.00 0.00 C ATOM 648 O ASP A 40 -3.241 5.574 3.478 1.00 0.00 O ATOM 649 CB ASP A 40 -6.286 5.503 4.475 1.00 0.00 C ATOM 650 CG ASP A 40 -7.039 6.556 3.673 1.00 0.00 C ATOM 651 OD1 ASP A 40 -8.154 6.264 3.156 1.00 0.00 O ATOM 652 OD2 ASP A 40 -6.577 7.695 3.584 1.00 0.00 O ATOM 0 H ASP A 40 -3.822 3.893 4.775 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.059 4.094 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.005 4.895 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.661 6.002 5.215 1.00 0.00 H new ATOM 657 N THR A 41 -4.572 5.765 1.700 1.00 0.00 N ATOM 658 CA THR A 41 -3.586 6.483 0.967 1.00 0.00 C ATOM 659 C THR A 41 -3.989 7.938 0.764 1.00 0.00 C ATOM 660 O THR A 41 -5.145 8.220 0.405 1.00 0.00 O ATOM 661 CB THR A 41 -3.295 5.818 -0.386 1.00 0.00 C ATOM 662 OG1 THR A 41 -4.526 5.515 -1.077 1.00 0.00 O ATOM 663 CG2 THR A 41 -2.489 4.549 -0.205 1.00 0.00 C ATOM 0 H THR A 41 -5.447 5.602 1.202 1.00 0.00 H new ATOM 0 HA THR A 41 -2.672 6.462 1.561 1.00 0.00 H new ATOM 0 HB THR A 41 -2.713 6.520 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.700 6.204 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.297 4.098 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.541 4.786 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.048 3.848 0.415 1.00 0.00 H new ATOM 671 N PRO A 42 -3.075 8.884 1.018 1.00 0.00 N ATOM 672 CA PRO A 42 -3.332 10.292 0.796 1.00 0.00 C ATOM 673 C PRO A 42 -3.483 10.568 -0.691 1.00 0.00 C ATOM 674 O PRO A 42 -2.731 10.044 -1.526 1.00 0.00 O ATOM 675 CB PRO A 42 -2.080 10.990 1.358 1.00 0.00 C ATOM 676 CG PRO A 42 -1.454 9.965 2.227 1.00 0.00 C ATOM 677 CD PRO A 42 -1.730 8.670 1.545 1.00 0.00 C ATOM 0 HA PRO A 42 -4.250 10.639 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.406 11.302 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.342 11.885 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.383 10.136 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.880 9.983 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.010 8.464 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.692 7.829 2.237 1.00 0.00 H new ATOM 910 N GLU A 57 -0.228 10.246 -6.135 1.00 0.00 N ATOM 911 CA GLU A 57 0.846 9.428 -6.679 1.00 0.00 C ATOM 912 C GLU A 57 0.787 7.983 -6.222 1.00 0.00 C ATOM 913 O GLU A 57 1.246 7.102 -6.940 1.00 0.00 O ATOM 914 CB GLU A 57 2.204 10.039 -6.357 1.00 0.00 C ATOM 915 CG GLU A 57 2.348 11.474 -6.837 1.00 0.00 C ATOM 916 CD GLU A 57 3.743 12.007 -6.665 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.152 12.288 -5.510 1.00 0.00 O ATOM 918 OE2 GLU A 57 4.466 12.140 -7.678 1.00 0.00 O ATOM 0 HA GLU A 57 0.706 9.415 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.363 10.006 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.985 9.431 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.069 11.530 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.651 12.108 -6.288 1.00 0.00 H new ATOM 925 N ALA A 58 0.203 7.748 -5.048 1.00 0.00 N ATOM 926 CA ALA A 58 0.007 6.413 -4.519 1.00 0.00 C ATOM 927 C ALA A 58 -0.761 5.546 -5.515 1.00 0.00 C ATOM 928 O ALA A 58 -0.395 4.420 -5.748 1.00 0.00 O ATOM 929 CB ALA A 58 -0.742 6.480 -3.200 1.00 0.00 C ATOM 0 H ALA A 58 -0.147 8.488 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 58 0.985 5.961 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.884 5.472 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.167 7.067 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.713 6.949 -3.357 1.00 0.00 H new ATOM 935 N SER A 59 -1.773 6.133 -6.163 1.00 0.00 N ATOM 936 CA SER A 59 -2.614 5.413 -7.105 1.00 0.00 C ATOM 937 C SER A 59 -1.783 4.927 -8.289 1.00 0.00 C ATOM 938 O SER A 59 -1.859 3.760 -8.691 1.00 0.00 O ATOM 939 CB SER A 59 -3.754 6.322 -7.605 1.00 0.00 C ATOM 940 OG SER A 59 -4.686 5.595 -8.407 1.00 0.00 O ATOM 0 H SER A 59 -2.025 7.114 -6.045 1.00 0.00 H new ATOM 0 HA SER A 59 -3.045 4.551 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.271 6.762 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.337 7.145 -8.185 1.00 0.00 H new ATOM 0 HG SER A 59 -5.398 6.197 -8.708 1.00 0.00 H new ATOM 946 N ALA A 60 -0.957 5.817 -8.806 1.00 0.00 N ATOM 947 CA ALA A 60 -0.128 5.524 -9.947 1.00 0.00 C ATOM 948 C ALA A 60 0.985 4.569 -9.566 1.00 0.00 C ATOM 949 O ALA A 60 1.353 3.716 -10.347 1.00 0.00 O ATOM 950 CB ALA A 60 0.434 6.804 -10.542 1.00 0.00 C ATOM 0 H ALA A 60 -0.846 6.763 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.743 5.040 -10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.057 6.562 -11.403 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.386 7.449 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.034 7.321 -9.793 1.00 0.00 H new ATOM 956 N PHE A 61 1.489 4.711 -8.352 1.00 0.00 N ATOM 957 CA PHE A 61 2.548 3.861 -7.825 1.00 0.00 C ATOM 958 C PHE A 61 2.046 2.422 -7.694 1.00 0.00 C ATOM 959 O PHE A 61 2.672 1.493 -8.230 1.00 0.00 O ATOM 960 CB PHE A 61 3.031 4.431 -6.480 1.00 0.00 C ATOM 961 CG PHE A 61 4.147 3.683 -5.797 1.00 0.00 C ATOM 962 CD1 PHE A 61 5.323 3.371 -6.465 1.00 0.00 C ATOM 963 CD2 PHE A 61 4.028 3.330 -4.468 1.00 0.00 C ATOM 964 CE1 PHE A 61 6.351 2.716 -5.815 1.00 0.00 C ATOM 965 CE2 PHE A 61 5.045 2.676 -3.812 1.00 0.00 C ATOM 966 CZ PHE A 61 6.211 2.368 -4.484 1.00 0.00 C ATOM 0 H PHE A 61 1.173 5.426 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 61 3.396 3.846 -8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.357 5.458 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.180 4.470 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.436 3.643 -7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.121 3.571 -3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.261 2.476 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.931 2.404 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.012 1.856 -3.971 1.00 0.00 H new ATOM 976 N THR A 62 0.901 2.255 -7.020 1.00 0.00 N ATOM 977 CA THR A 62 0.246 0.965 -6.871 1.00 0.00 C ATOM 978 C THR A 62 0.018 0.338 -8.251 1.00 0.00 C ATOM 979 O THR A 62 0.409 -0.809 -8.504 1.00 0.00 O ATOM 980 CB THR A 62 -1.127 1.154 -6.173 1.00 0.00 C ATOM 981 OG1 THR A 62 -0.938 1.807 -4.921 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.834 -0.173 -5.941 1.00 0.00 C ATOM 0 H THR A 62 0.406 3.021 -6.563 1.00 0.00 H new ATOM 0 HA THR A 62 0.880 0.313 -6.270 1.00 0.00 H new ATOM 0 HB THR A 62 -1.752 1.759 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.748 1.713 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.791 0.005 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.003 -0.667 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.215 -0.809 -5.308 1.00 0.00 H new ATOM 990 N LYS A 63 -0.561 1.132 -9.146 1.00 0.00 N ATOM 991 CA LYS A 63 -0.889 0.709 -10.493 1.00 0.00 C ATOM 992 C LYS A 63 0.362 0.253 -11.245 1.00 0.00 C ATOM 993 O LYS A 63 0.429 -0.861 -11.729 1.00 0.00 O ATOM 994 CB LYS A 63 -1.535 1.872 -11.239 1.00 0.00 C ATOM 995 CG LYS A 63 -2.033 1.531 -12.631 1.00 0.00 C ATOM 996 CD LYS A 63 -2.578 2.759 -13.342 1.00 0.00 C ATOM 997 CE LYS A 63 -1.468 3.738 -13.712 1.00 0.00 C ATOM 998 NZ LYS A 63 -0.589 3.211 -14.773 1.00 0.00 N ATOM 0 H LYS A 63 -0.817 2.099 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.580 -0.132 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.372 2.245 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.812 2.684 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.219 1.102 -13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.812 0.772 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.107 2.452 -14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.304 3.258 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.910 4.678 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.872 3.960 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.402 3.430 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.708 2.180 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.840 3.651 -15.682 1.00 0.00 H new ATOM 1012 N LYS A 64 1.348 1.109 -11.277 1.00 0.00 N ATOM 1013 CA LYS A 64 2.583 0.889 -12.008 1.00 0.00 C ATOM 1014 C LYS A 64 3.290 -0.393 -11.566 1.00 0.00 C ATOM 1015 O LYS A 64 3.686 -1.210 -12.402 1.00 0.00 O ATOM 1016 CB LYS A 64 3.476 2.120 -11.835 1.00 0.00 C ATOM 1017 CG LYS A 64 4.723 2.174 -12.685 1.00 0.00 C ATOM 1018 CD LYS A 64 5.384 3.536 -12.531 1.00 0.00 C ATOM 1019 CE LYS A 64 6.617 3.678 -13.396 1.00 0.00 C ATOM 1020 NZ LYS A 64 7.705 2.777 -12.975 1.00 0.00 N ATOM 0 H LYS A 64 1.321 2.003 -10.786 1.00 0.00 H new ATOM 0 HA LYS A 64 2.355 0.752 -13.065 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.879 3.007 -12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.774 2.181 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.414 1.386 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.471 1.996 -13.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.669 4.316 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.656 3.689 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.356 3.468 -14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.968 4.709 -13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.555 2.970 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.917 2.935 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.412 1.789 -13.116 1.00 0.00 H new ATOM 1034 N MET A 65 3.387 -0.603 -10.270 1.00 0.00 N ATOM 1035 CA MET A 65 4.075 -1.786 -9.766 1.00 0.00 C ATOM 1036 C MET A 65 3.284 -3.068 -10.012 1.00 0.00 C ATOM 1037 O MET A 65 3.874 -4.122 -10.275 1.00 0.00 O ATOM 1038 CB MET A 65 4.501 -1.661 -8.293 1.00 0.00 C ATOM 1039 CG MET A 65 3.377 -1.558 -7.272 1.00 0.00 C ATOM 1040 SD MET A 65 3.993 -1.420 -5.572 1.00 0.00 S ATOM 1041 CE MET A 65 4.912 -2.952 -5.397 1.00 0.00 C ATOM 0 H MET A 65 3.007 0.015 -9.552 1.00 0.00 H new ATOM 0 HA MET A 65 4.995 -1.854 -10.347 1.00 0.00 H new ATOM 0 HB2 MET A 65 5.115 -2.525 -8.040 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.135 -0.780 -8.194 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.759 -0.690 -7.503 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.736 -2.436 -7.353 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.787 -3.338 -4.385 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.539 -3.684 -6.113 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.969 -2.766 -5.586 1.00 0.00 H new ATOM 1051 N VAL A 66 1.963 -2.989 -9.955 1.00 0.00 N ATOM 1052 CA VAL A 66 1.149 -4.173 -10.219 1.00 0.00 C ATOM 1053 C VAL A 66 1.085 -4.479 -11.728 1.00 0.00 C ATOM 1054 O VAL A 66 1.001 -5.638 -12.121 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.299 -4.127 -9.610 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.281 -3.949 -8.111 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.155 -3.076 -10.247 1.00 0.00 C ATOM 0 H VAL A 66 1.439 -2.142 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 66 1.661 -4.983 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.743 -5.097 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.304 -3.923 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.253 -4.781 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.221 -3.014 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.145 -3.086 -9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.698 -2.097 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.246 -3.278 -11.314 1.00 0.00 H new ATOM 1067 N GLU A 67 1.159 -3.440 -12.573 1.00 0.00 N ATOM 1068 CA GLU A 67 1.152 -3.635 -14.023 1.00 0.00 C ATOM 1069 C GLU A 67 2.423 -4.329 -14.474 1.00 0.00 C ATOM 1070 O GLU A 67 2.418 -5.097 -15.436 1.00 0.00 O ATOM 1071 CB GLU A 67 1.007 -2.312 -14.794 1.00 0.00 C ATOM 1072 CG GLU A 67 -0.319 -1.604 -14.615 1.00 0.00 C ATOM 1073 CD GLU A 67 -0.420 -0.354 -15.460 1.00 0.00 C ATOM 1074 OE1 GLU A 67 0.106 0.700 -15.047 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -1.032 -0.400 -16.560 1.00 0.00 O ATOM 0 H GLU A 67 1.224 -2.466 -12.277 1.00 0.00 H new ATOM 0 HA GLU A 67 0.284 -4.256 -14.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.805 -1.639 -14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.154 -2.511 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.130 -2.284 -14.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.450 -1.342 -13.565 1.00 0.00 H new ATOM 1082 N ASN A 68 3.501 -4.061 -13.773 1.00 0.00 N ATOM 1083 CA ASN A 68 4.806 -4.634 -14.096 1.00 0.00 C ATOM 1084 C ASN A 68 4.980 -6.012 -13.479 1.00 0.00 C ATOM 1085 O ASN A 68 5.886 -6.772 -13.862 1.00 0.00 O ATOM 1086 CB ASN A 68 5.929 -3.718 -13.616 1.00 0.00 C ATOM 1087 CG ASN A 68 5.990 -2.394 -14.344 1.00 0.00 C ATOM 1088 OD1 ASN A 68 5.605 -2.287 -15.509 1.00 0.00 O ATOM 1089 ND2 ASN A 68 6.473 -1.381 -13.677 1.00 0.00 N ATOM 0 H ASN A 68 3.508 -3.442 -12.962 1.00 0.00 H new ATOM 0 HA ASN A 68 4.855 -4.732 -15.180 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.801 -3.530 -12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.882 -4.233 -13.737 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.541 -0.465 -14.120 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.783 -1.506 -12.713 1.00 0.00 H new ATOM 1096 N ALA A 69 4.132 -6.329 -12.522 1.00 0.00 N ATOM 1097 CA ALA A 69 4.176 -7.584 -11.830 1.00 0.00 C ATOM 1098 C ALA A 69 3.733 -8.708 -12.731 1.00 0.00 C ATOM 1099 O ALA A 69 2.796 -8.549 -13.515 1.00 0.00 O ATOM 1100 CB ALA A 69 3.289 -7.524 -10.614 1.00 0.00 C ATOM 0 H ALA A 69 3.387 -5.709 -12.205 1.00 0.00 H new ATOM 0 HA ALA A 69 5.204 -7.775 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.325 -8.479 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.636 -6.733 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.264 -7.317 -10.921 1.00 0.00 H new ATOM 1106 N LYS A 70 4.404 -9.823 -12.632 1.00 0.00 N ATOM 1107 CA LYS A 70 4.060 -10.972 -13.419 1.00 0.00 C ATOM 1108 C LYS A 70 2.894 -11.695 -12.782 1.00 0.00 C ATOM 1109 O LYS A 70 1.916 -12.036 -13.443 1.00 0.00 O ATOM 1110 CB LYS A 70 5.252 -11.911 -13.543 1.00 0.00 C ATOM 1111 CG LYS A 70 6.499 -11.274 -14.136 1.00 0.00 C ATOM 1112 CD LYS A 70 6.248 -10.686 -15.518 1.00 0.00 C ATOM 1113 CE LYS A 70 7.471 -9.937 -16.026 1.00 0.00 C ATOM 1114 NZ LYS A 70 7.815 -8.774 -15.167 1.00 0.00 N ATOM 0 H LYS A 70 5.199 -9.959 -12.008 1.00 0.00 H new ATOM 0 HA LYS A 70 3.777 -10.642 -14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.494 -12.302 -12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.965 -12.762 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.855 -10.489 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.290 -12.021 -14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.991 -11.484 -16.215 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.394 -10.010 -15.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.320 -10.619 -16.069 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.287 -9.593 -17.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.410 -8.111 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.943 -8.293 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.333 -9.104 -14.328 1.00 0.00 H new ATOM 1128 N LYS A 71 2.991 -11.926 -11.502 1.00 0.00 N ATOM 1129 CA LYS A 71 1.933 -12.594 -10.790 1.00 0.00 C ATOM 1130 C LYS A 71 1.295 -11.696 -9.742 1.00 0.00 C ATOM 1131 O LYS A 71 1.943 -11.269 -8.791 1.00 0.00 O ATOM 1132 CB LYS A 71 2.392 -13.921 -10.166 1.00 0.00 C ATOM 1133 CG LYS A 71 3.616 -13.825 -9.255 1.00 0.00 C ATOM 1134 CD LYS A 71 3.800 -15.089 -8.416 1.00 0.00 C ATOM 1135 CE LYS A 71 2.626 -15.269 -7.461 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.772 -16.423 -6.559 1.00 0.00 N ATOM 0 H LYS A 71 3.792 -11.662 -10.928 1.00 0.00 H new ATOM 0 HA LYS A 71 1.172 -12.831 -11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.565 -14.339 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.611 -14.625 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.507 -13.658 -9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.512 -12.963 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.882 -15.958 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.730 -15.026 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.512 -14.364 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.711 -15.386 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.021 -16.399 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.699 -17.304 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.700 -16.383 -6.091 1.00 0.00 H new ATOM 1150 N ILE A 72 0.048 -11.382 -9.933 1.00 0.00 N ATOM 1151 CA ILE A 72 -0.689 -10.599 -8.970 1.00 0.00 C ATOM 1152 C ILE A 72 -1.580 -11.534 -8.177 1.00 0.00 C ATOM 1153 O ILE A 72 -2.322 -12.334 -8.767 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.564 -9.521 -9.664 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -0.689 -8.654 -10.571 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.288 -8.659 -8.618 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.441 -7.567 -11.311 1.00 0.00 C ATOM 0 H ILE A 72 -0.490 -11.657 -10.755 1.00 0.00 H new ATOM 0 HA ILE A 72 0.018 -10.086 -8.318 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.321 -10.015 -10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.093 -8.192 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.193 -9.296 -11.299 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.897 -7.909 -9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.928 -9.293 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.553 -8.163 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.746 -7.000 -11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.205 -8.019 -11.944 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.914 -6.898 -10.592 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.484 -11.482 -6.875 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.317 -12.303 -6.026 1.00 0.00 C ATOM 1171 C GLU A 73 -2.926 -11.471 -4.926 1.00 0.00 C ATOM 1172 O GLU A 73 -2.306 -10.523 -4.433 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.556 -13.487 -5.411 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.992 -14.487 -6.410 1.00 0.00 C ATOM 1175 CD GLU A 73 -0.483 -15.754 -5.753 1.00 0.00 C ATOM 1176 OE1 GLU A 73 0.604 -15.741 -5.133 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -1.150 -16.802 -5.862 1.00 0.00 O ATOM 0 H GLU A 73 -0.834 -10.877 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.101 -12.713 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.735 -13.097 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.226 -14.015 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.765 -14.745 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.179 -14.019 -6.965 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.131 -11.805 -4.564 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.835 -11.140 -3.499 1.00 0.00 C ATOM 1186 C VAL A 74 -4.924 -12.099 -2.302 1.00 0.00 C ATOM 1187 O VAL A 74 -5.251 -13.271 -2.464 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.272 -10.664 -3.942 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.202 -9.743 -5.139 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.191 -11.826 -4.266 1.00 0.00 C ATOM 0 H VAL A 74 -4.662 -12.557 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.285 -10.241 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.685 -10.124 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.209 -9.433 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.608 -8.864 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.738 -10.267 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.167 -11.445 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.764 -12.411 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.303 -12.458 -3.385 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.577 -11.639 -1.143 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.632 -12.470 0.033 1.00 0.00 C ATOM 1202 C GLU A 75 -5.745 -12.009 0.940 1.00 0.00 C ATOM 1203 O GLU A 75 -5.672 -10.933 1.522 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.291 -12.451 0.770 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.218 -13.370 1.994 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.835 -13.415 2.624 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.385 -12.421 3.227 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -1.158 -14.463 2.530 1.00 0.00 O ATOM 0 H GLU A 75 -4.250 -10.687 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.834 -13.496 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.504 -12.736 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.081 -11.429 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.939 -13.032 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.511 -14.378 1.702 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.776 -12.807 1.033 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.893 -12.505 1.907 1.00 0.00 C ATOM 1217 C PHE A 76 -7.517 -12.881 3.305 1.00 0.00 C ATOM 1218 O PHE A 76 -6.924 -13.940 3.508 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.155 -13.273 1.485 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.672 -12.883 0.145 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -10.462 -11.760 0.006 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.375 -13.632 -0.972 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.948 -11.392 -1.224 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.856 -13.270 -2.202 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.645 -12.150 -2.331 1.00 0.00 C ATOM 0 H PHE A 76 -6.871 -13.679 0.512 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.115 -11.440 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.936 -14.341 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.935 -13.108 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.701 -11.164 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.757 -14.513 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.565 -10.511 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.616 -13.864 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.026 -11.866 -3.301 1.00 0.00 H new ATOM 1235 N ASP A 77 -7.805 -12.007 4.243 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.515 -12.248 5.643 1.00 0.00 C ATOM 1237 C ASP A 77 -8.607 -13.165 6.230 1.00 0.00 C ATOM 1238 O ASP A 77 -9.555 -13.537 5.540 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.438 -10.911 6.418 1.00 0.00 C ATOM 1240 CG ASP A 77 -6.621 -11.001 7.709 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -7.131 -11.475 8.738 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -5.437 -10.607 7.702 1.00 0.00 O ATOM 0 H ASP A 77 -8.248 -11.107 4.059 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.547 -12.739 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.000 -10.150 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.448 -10.581 6.659 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.521 -13.434 7.502 1.00 0.00 N ATOM 1248 CA LYS A 78 -9.348 -14.431 8.165 1.00 0.00 C ATOM 1249 C LYS A 78 -10.677 -13.860 8.676 1.00 0.00 C ATOM 1250 O LYS A 78 -11.427 -14.549 9.357 1.00 0.00 O ATOM 1251 CB LYS A 78 -8.541 -15.027 9.316 1.00 0.00 C ATOM 1252 CG LYS A 78 -8.145 -13.999 10.358 1.00 0.00 C ATOM 1253 CD LYS A 78 -7.002 -14.479 11.212 1.00 0.00 C ATOM 1254 CE LYS A 78 -6.606 -13.425 12.226 1.00 0.00 C ATOM 1255 NZ LYS A 78 -6.276 -12.128 11.580 1.00 0.00 N ATOM 0 H LYS A 78 -7.866 -12.964 8.128 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.613 -15.199 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.126 -15.813 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.642 -15.496 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.863 -13.070 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.003 -13.775 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.288 -15.396 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.147 -14.721 10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.421 -13.280 12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.746 -13.775 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.701 -11.553 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.741 -12.302 10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.155 -11.620 11.353 1.00 0.00 H new ATOM 1269 N GLY A 79 -10.961 -12.625 8.359 1.00 0.00 N ATOM 1270 CA GLY A 79 -12.197 -12.033 8.802 1.00 0.00 C ATOM 1271 C GLY A 79 -13.214 -11.974 7.697 1.00 0.00 C ATOM 1272 O GLY A 79 -13.692 -13.007 7.225 1.00 0.00 O ATOM 0 H GLY A 79 -10.362 -12.015 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.598 -12.610 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.005 -11.027 9.174 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.534 -10.780 7.282 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.440 -10.557 6.186 1.00 0.00 C ATOM 1278 C GLN A 80 -13.690 -10.663 4.904 1.00 0.00 C ATOM 1279 O GLN A 80 -12.483 -10.445 4.855 1.00 0.00 O ATOM 1280 CB GLN A 80 -15.090 -9.174 6.262 1.00 0.00 C ATOM 1281 CG GLN A 80 -16.147 -9.043 7.322 1.00 0.00 C ATOM 1282 CD GLN A 80 -16.649 -7.616 7.511 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -17.066 -7.238 8.614 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -16.636 -6.825 6.454 1.00 0.00 N ATOM 0 H GLN A 80 -13.170 -9.923 7.699 1.00 0.00 H new ATOM 0 HA GLN A 80 -15.226 -11.310 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.314 -8.431 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.533 -8.940 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.990 -9.684 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.747 -9.407 8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.285 -7.172 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.977 -5.867 6.530 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.380 -10.995 3.896 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.806 -11.085 2.593 1.00 0.00 C ATOM 1295 C ARG A 81 -14.049 -9.778 1.846 1.00 0.00 C ATOM 1296 O ARG A 81 -13.297 -9.410 0.947 1.00 0.00 O ATOM 1297 CB ARG A 81 -14.392 -12.287 1.852 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.866 -12.502 0.460 1.00 0.00 C ATOM 1299 CD ARG A 81 -14.344 -13.824 -0.076 1.00 0.00 C ATOM 1300 NE ARG A 81 -15.811 -13.899 -0.129 1.00 0.00 N ATOM 1301 CZ ARG A 81 -16.531 -15.027 -0.085 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -15.930 -16.219 0.041 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -17.850 -14.958 -0.179 1.00 0.00 N ATOM 0 H ARG A 81 -15.374 -11.218 3.935 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.729 -11.238 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.198 -13.185 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.474 -12.168 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.200 -11.695 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.776 -12.476 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.937 -13.979 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.962 -14.629 0.552 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.322 -13.020 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.913 -16.273 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.489 -17.071 0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.307 -14.052 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.409 -15.811 -0.147 1.00 0.00 H new ATOM 1317 N THR A 82 -15.086 -9.064 2.237 1.00 0.00 N ATOM 1318 CA THR A 82 -15.411 -7.816 1.605 1.00 0.00 C ATOM 1319 C THR A 82 -15.717 -6.692 2.607 1.00 0.00 C ATOM 1320 O THR A 82 -16.218 -6.925 3.707 1.00 0.00 O ATOM 1321 CB THR A 82 -16.579 -7.973 0.608 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.630 -8.756 1.201 1.00 0.00 O ATOM 1323 CG2 THR A 82 -16.127 -8.617 -0.697 1.00 0.00 C ATOM 0 H THR A 82 -15.716 -9.334 2.993 1.00 0.00 H new ATOM 0 HA THR A 82 -14.516 -7.522 1.057 1.00 0.00 H new ATOM 0 HB THR A 82 -16.951 -6.975 0.375 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.368 -8.850 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.979 -8.710 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.361 -7.997 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.718 -9.606 -0.492 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.373 -5.500 2.182 1.00 0.00 N ATOM 1332 CA ASP A 83 -15.577 -4.218 2.850 1.00 0.00 C ATOM 1333 C ASP A 83 -17.053 -3.785 2.762 1.00 0.00 C ATOM 1334 O ASP A 83 -17.819 -4.330 1.951 1.00 0.00 O ATOM 1335 CB ASP A 83 -14.656 -3.182 2.142 1.00 0.00 C ATOM 1336 CG ASP A 83 -14.960 -1.728 2.435 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -14.506 -1.194 3.449 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -15.688 -1.111 1.633 1.00 0.00 O ATOM 0 H ASP A 83 -14.903 -5.382 1.285 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.330 -4.293 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.624 -3.384 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.723 -3.339 1.065 1.00 0.00 H new ATOM 1343 N LYS A 84 -17.420 -2.795 3.567 1.00 0.00 N ATOM 1344 CA LYS A 84 -18.771 -2.254 3.668 1.00 0.00 C ATOM 1345 C LYS A 84 -19.286 -1.706 2.320 1.00 0.00 C ATOM 1346 O LYS A 84 -20.473 -1.803 2.032 1.00 0.00 O ATOM 1347 CB LYS A 84 -18.770 -1.175 4.796 1.00 0.00 C ATOM 1348 CG LYS A 84 -20.098 -0.478 5.133 1.00 0.00 C ATOM 1349 CD LYS A 84 -20.478 0.595 4.116 1.00 0.00 C ATOM 1350 CE LYS A 84 -21.711 1.345 4.546 1.00 0.00 C ATOM 1351 NZ LYS A 84 -21.496 2.077 5.809 1.00 0.00 N ATOM 0 H LYS A 84 -16.761 -2.329 4.191 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.470 -3.050 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.400 -1.645 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -18.050 -0.405 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.892 -1.223 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -20.025 -0.025 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.650 1.293 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -20.651 0.133 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -22.000 2.047 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -22.538 0.645 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -22.209 2.828 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -21.581 1.419 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.546 2.500 5.808 1.00 0.00 H new ATOM 1365 N TYR A 85 -18.406 -1.192 1.474 1.00 0.00 N ATOM 1366 CA TYR A 85 -18.841 -0.707 0.163 1.00 0.00 C ATOM 1367 C TYR A 85 -18.662 -1.772 -0.901 1.00 0.00 C ATOM 1368 O TYR A 85 -18.819 -1.509 -2.101 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.144 0.586 -0.272 1.00 0.00 C ATOM 1370 CG TYR A 85 -18.578 1.843 0.450 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -19.914 2.209 0.504 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -17.651 2.679 1.046 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -20.309 3.369 1.137 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -18.038 3.843 1.673 1.00 0.00 C ATOM 1375 CZ TYR A 85 -19.362 4.182 1.717 1.00 0.00 C ATOM 1376 OH TYR A 85 -19.746 5.354 2.342 1.00 0.00 O ATOM 0 H TYR A 85 -17.408 -1.099 1.660 1.00 0.00 H new ATOM 0 HA TYR A 85 -19.901 -0.476 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.070 0.462 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.313 0.726 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.657 1.576 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -16.604 2.414 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.354 3.638 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.299 4.485 2.128 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.955 5.809 2.699 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.337 -2.964 -0.473 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.217 -4.061 -1.384 1.00 0.00 C ATOM 1388 C GLY A 86 -16.864 -4.154 -2.043 1.00 0.00 C ATOM 1389 O GLY A 86 -16.768 -4.561 -3.198 1.00 0.00 O ATOM 0 H GLY A 86 -18.151 -3.195 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.416 -4.990 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.982 -3.967 -2.155 1.00 0.00 H new ATOM 1393 N ARG A 87 -15.823 -3.749 -1.359 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.484 -3.948 -1.899 1.00 0.00 C ATOM 1395 C ARG A 87 -13.966 -5.243 -1.335 1.00 0.00 C ATOM 1396 O ARG A 87 -14.333 -5.598 -0.239 1.00 0.00 O ATOM 1397 CB ARG A 87 -13.477 -2.837 -1.529 1.00 0.00 C ATOM 1398 CG ARG A 87 -13.747 -1.423 -2.041 1.00 0.00 C ATOM 1399 CD ARG A 87 -14.885 -0.747 -1.311 1.00 0.00 C ATOM 1400 NE ARG A 87 -14.856 0.701 -1.502 1.00 0.00 N ATOM 1401 CZ ARG A 87 -14.683 1.597 -0.507 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -14.730 1.224 0.778 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -14.536 2.865 -0.800 1.00 0.00 N ATOM 0 H ARG A 87 -15.864 -3.290 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.570 -3.943 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.415 -2.792 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.496 -3.142 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.844 -0.823 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.977 -1.464 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.835 -1.144 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.824 -0.976 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.974 1.059 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.899 0.248 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.597 1.916 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.553 3.169 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.405 3.549 -0.055 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.165 -5.948 -2.065 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.582 -7.147 -1.528 1.00 0.00 C ATOM 1419 C GLY A 88 -11.463 -6.795 -0.578 1.00 0.00 C ATOM 1420 O GLY A 88 -10.585 -6.007 -0.931 1.00 0.00 O ATOM 0 H GLY A 88 -12.898 -5.724 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.342 -7.730 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.201 -7.770 -2.337 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.517 -7.329 0.618 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.513 -7.061 1.626 1.00 0.00 C ATOM 1426 C LEU A 89 -9.383 -8.033 1.465 1.00 0.00 C ATOM 1427 O LEU A 89 -9.439 -9.158 1.974 1.00 0.00 O ATOM 1428 CB LEU A 89 -11.088 -7.165 3.054 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.136 -6.125 3.461 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.678 -6.440 4.845 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.534 -4.728 3.447 1.00 0.00 C ATOM 0 H LEU A 89 -12.257 -7.962 0.923 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.159 -6.039 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.531 -8.154 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.258 -7.103 3.758 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.954 -6.161 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.422 -5.694 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.139 -7.428 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.862 -6.425 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.293 -4.002 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.701 -4.684 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.176 -4.496 2.444 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.392 -7.639 0.729 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.289 -8.501 0.473 1.00 0.00 C ATOM 1445 C ALA A 90 -6.007 -7.730 0.366 1.00 0.00 C ATOM 1446 O ALA A 90 -5.992 -6.576 -0.060 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.523 -9.303 -0.795 1.00 0.00 C ATOM 0 H ALA A 90 -8.327 -6.719 0.294 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.203 -9.187 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.669 -9.957 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.424 -9.906 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.644 -8.623 -1.638 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.952 -8.365 0.775 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.625 -7.842 0.661 1.00 0.00 C ATOM 1455 C TYR A 91 -3.168 -8.190 -0.728 1.00 0.00 C ATOM 1456 O TYR A 91 -3.233 -9.342 -1.126 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.689 -8.514 1.668 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.132 -8.447 3.115 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -3.953 -9.431 3.650 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.712 -7.426 3.949 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -4.338 -9.402 4.968 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.104 -7.385 5.275 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.918 -8.378 5.778 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.269 -8.378 7.117 1.00 0.00 O ATOM 0 H TYR A 91 -4.991 -9.287 1.209 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.613 -6.769 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.575 -9.562 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.704 -8.054 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.296 -10.236 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.069 -6.650 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.969 -10.183 5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.774 -6.579 5.913 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.046 -8.960 7.252 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.736 -7.242 -1.458 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.396 -7.474 -2.817 1.00 0.00 C ATOM 1476 C ILE A 92 -0.903 -7.571 -2.995 1.00 0.00 C ATOM 1477 O ILE A 92 -0.142 -6.664 -2.621 1.00 0.00 O ATOM 1478 CB ILE A 92 -3.024 -6.401 -3.726 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.544 -6.445 -3.520 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.662 -6.649 -5.198 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.319 -5.413 -4.275 1.00 0.00 C ATOM 0 H ILE A 92 -2.605 -6.282 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.811 -8.436 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.638 -5.415 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.905 -7.432 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.754 -6.328 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.117 -5.878 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.579 -6.618 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.033 -7.627 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.382 -5.528 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.994 -4.418 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.147 -5.539 -5.344 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.491 -8.685 -3.511 1.00 0.00 N ATOM 1494 CA TYR A 93 0.884 -8.952 -3.758 1.00 0.00 C ATOM 1495 C TYR A 93 1.147 -8.807 -5.235 1.00 0.00 C ATOM 1496 O TYR A 93 0.541 -9.500 -6.060 1.00 0.00 O ATOM 1497 CB TYR A 93 1.248 -10.376 -3.282 1.00 0.00 C ATOM 1498 CG TYR A 93 1.110 -10.585 -1.782 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.131 -10.792 -1.189 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.224 -10.560 -0.956 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.249 -10.957 0.169 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.105 -10.735 0.410 1.00 0.00 C ATOM 1503 CZ TYR A 93 0.862 -10.927 0.962 1.00 0.00 C ATOM 1504 OH TYR A 93 0.727 -11.097 2.325 1.00 0.00 O ATOM 0 H TYR A 93 -1.115 -9.447 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 93 1.502 -8.244 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.610 -11.094 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.275 -10.594 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.016 -10.823 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.201 -10.401 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.222 -11.111 0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.983 -10.721 1.039 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.076 -11.627 2.511 1.00 0.00 H new ATOM 1514 N ALA A 94 2.046 -7.933 -5.563 1.00 0.00 N ATOM 1515 CA ALA A 94 2.429 -7.702 -6.910 1.00 0.00 C ATOM 1516 C ALA A 94 3.738 -8.354 -7.105 1.00 0.00 C ATOM 1517 O ALA A 94 4.737 -7.922 -6.528 1.00 0.00 O ATOM 1518 CB ALA A 94 2.562 -6.216 -7.172 1.00 0.00 C ATOM 0 H ALA A 94 2.540 -7.352 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 94 1.680 -8.102 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.856 -6.054 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.606 -5.727 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.320 -5.796 -6.510 1.00 0.00 H new ATOM 1524 N ASP A 95 3.719 -9.453 -7.836 1.00 0.00 N ATOM 1525 CA ASP A 95 4.914 -10.229 -8.164 1.00 0.00 C ATOM 1526 C ASP A 95 5.470 -10.837 -6.869 1.00 0.00 C ATOM 1527 O ASP A 95 6.653 -11.154 -6.731 1.00 0.00 O ATOM 1528 CB ASP A 95 5.934 -9.321 -8.860 1.00 0.00 C ATOM 1529 CG ASP A 95 6.978 -10.063 -9.604 1.00 0.00 C ATOM 1530 OD1 ASP A 95 6.636 -10.674 -10.647 1.00 0.00 O ATOM 1531 OD2 ASP A 95 8.167 -9.980 -9.239 1.00 0.00 O ATOM 0 H ASP A 95 2.862 -9.843 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 95 4.679 -11.042 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.409 -8.660 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.413 -8.687 -8.113 1.00 0.00 H new ATOM 1536 N GLY A 96 4.561 -11.016 -5.922 1.00 0.00 N ATOM 1537 CA GLY A 96 4.891 -11.551 -4.625 1.00 0.00 C ATOM 1538 C GLY A 96 5.141 -10.463 -3.601 1.00 0.00 C ATOM 1539 O GLY A 96 5.104 -10.712 -2.395 1.00 0.00 O ATOM 0 H GLY A 96 3.573 -10.791 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.078 -12.191 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.778 -12.179 -4.708 1.00 0.00 H new ATOM 1543 N LYS A 97 5.355 -9.258 -4.066 1.00 0.00 N ATOM 1544 CA LYS A 97 5.634 -8.151 -3.190 1.00 0.00 C ATOM 1545 C LYS A 97 4.344 -7.490 -2.753 1.00 0.00 C ATOM 1546 O LYS A 97 3.595 -6.986 -3.580 1.00 0.00 O ATOM 1547 CB LYS A 97 6.549 -7.138 -3.874 1.00 0.00 C ATOM 1548 CG LYS A 97 7.929 -7.691 -4.187 1.00 0.00 C ATOM 1549 CD LYS A 97 8.825 -6.666 -4.880 1.00 0.00 C ATOM 1550 CE LYS A 97 9.073 -5.440 -4.003 1.00 0.00 C ATOM 1551 NZ LYS A 97 9.998 -4.483 -4.637 1.00 0.00 N ATOM 0 H LYS A 97 5.341 -9.019 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 97 6.148 -8.531 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.081 -6.803 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.653 -6.262 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.404 -8.018 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.829 -8.571 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.778 -7.130 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.363 -6.355 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.124 -4.944 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.482 -5.758 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.138 -3.667 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.912 -4.947 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.597 -4.159 -5.540 1.00 0.00 H new ATOM 1565 N MET A 98 4.075 -7.522 -1.465 1.00 0.00 N ATOM 1566 CA MET A 98 2.886 -6.908 -0.909 1.00 0.00 C ATOM 1567 C MET A 98 2.902 -5.400 -1.131 1.00 0.00 C ATOM 1568 O MET A 98 3.705 -4.662 -0.525 1.00 0.00 O ATOM 1569 CB MET A 98 2.665 -7.275 0.586 1.00 0.00 C ATOM 1570 CG MET A 98 3.858 -7.054 1.523 1.00 0.00 C ATOM 1571 SD MET A 98 5.229 -8.213 1.250 1.00 0.00 S ATOM 1572 CE MET A 98 6.423 -7.592 2.442 1.00 0.00 C ATOM 0 H MET A 98 4.673 -7.974 -0.774 1.00 0.00 H new ATOM 0 HA MET A 98 2.030 -7.317 -1.446 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.823 -6.692 0.960 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.376 -8.325 0.642 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.225 -6.036 1.395 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.519 -7.144 2.555 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.328 -8.199 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.669 -6.557 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.997 -7.644 3.444 1.00 0.00 H new ATOM 1582 N VAL A 99 2.017 -4.959 -2.005 1.00 0.00 N ATOM 1583 CA VAL A 99 1.921 -3.564 -2.417 1.00 0.00 C ATOM 1584 C VAL A 99 1.535 -2.717 -1.240 1.00 0.00 C ATOM 1585 O VAL A 99 2.072 -1.640 -1.036 1.00 0.00 O ATOM 1586 CB VAL A 99 0.859 -3.381 -3.530 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.836 -1.957 -4.045 1.00 0.00 C ATOM 1588 CG2 VAL A 99 1.086 -4.348 -4.665 1.00 0.00 C ATOM 0 H VAL A 99 1.333 -5.565 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 99 2.894 -3.260 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.113 -3.595 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.080 -1.864 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.598 -1.278 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.813 -1.703 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.325 -4.196 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.073 -4.179 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.024 -5.370 -4.290 1.00 0.00 H new ATOM 1598 N ASN A 100 0.637 -3.261 -0.435 1.00 0.00 N ATOM 1599 CA ASN A 100 0.112 -2.593 0.754 1.00 0.00 C ATOM 1600 C ASN A 100 1.256 -2.180 1.663 1.00 0.00 C ATOM 1601 O ASN A 100 1.243 -1.087 2.217 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.835 -3.528 1.517 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.882 -4.182 0.624 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.639 -5.248 0.085 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -3.024 -3.565 0.446 1.00 0.00 N ATOM 0 H ASN A 100 0.245 -4.190 -0.587 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.440 -1.707 0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.250 -4.305 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.338 -2.963 2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.737 -3.976 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.200 -2.674 0.910 1.00 0.00 H new ATOM 1612 N GLU A 101 2.285 -3.039 1.773 1.00 0.00 N ATOM 1613 CA GLU A 101 3.415 -2.698 2.607 1.00 0.00 C ATOM 1614 C GLU A 101 4.223 -1.635 1.937 1.00 0.00 C ATOM 1615 O GLU A 101 4.559 -0.647 2.557 1.00 0.00 O ATOM 1616 CB GLU A 101 4.357 -3.858 2.897 1.00 0.00 C ATOM 1617 CG GLU A 101 5.398 -3.437 3.923 1.00 0.00 C ATOM 1618 CD GLU A 101 6.650 -4.259 3.964 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.440 -4.189 3.019 1.00 0.00 O ATOM 1620 OE2 GLU A 101 6.905 -4.892 4.991 1.00 0.00 O ATOM 0 H GLU A 101 2.345 -3.943 1.305 1.00 0.00 H new ATOM 0 HA GLU A 101 2.986 -2.373 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.792 -4.712 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.848 -4.177 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.674 -2.401 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.937 -3.463 4.911 1.00 0.00 H new ATOM 1627 N ALA A 102 4.511 -1.850 0.658 1.00 0.00 N ATOM 1628 CA ALA A 102 5.353 -0.960 -0.119 1.00 0.00 C ATOM 1629 C ALA A 102 4.840 0.464 -0.066 1.00 0.00 C ATOM 1630 O ALA A 102 5.605 1.377 0.138 1.00 0.00 O ATOM 1631 CB ALA A 102 5.483 -1.446 -1.555 1.00 0.00 C ATOM 0 H ALA A 102 4.163 -2.652 0.132 1.00 0.00 H new ATOM 0 HA ALA A 102 6.348 -0.969 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.119 -0.761 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.927 -2.442 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.496 -1.484 -2.017 1.00 0.00 H new ATOM 1637 N LEU A 103 3.535 0.628 -0.198 1.00 0.00 N ATOM 1638 CA LEU A 103 2.895 1.935 -0.110 1.00 0.00 C ATOM 1639 C LEU A 103 3.220 2.603 1.216 1.00 0.00 C ATOM 1640 O LEU A 103 3.660 3.742 1.255 1.00 0.00 O ATOM 1641 CB LEU A 103 1.383 1.789 -0.227 1.00 0.00 C ATOM 1642 CG LEU A 103 0.866 1.114 -1.481 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.638 1.014 -1.438 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.330 1.858 -2.715 1.00 0.00 C ATOM 0 H LEU A 103 2.886 -0.140 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 103 3.273 2.549 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.026 1.226 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.938 2.782 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 103 1.272 0.103 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.996 0.527 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.939 0.429 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.067 2.014 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.949 1.359 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.956 2.881 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.420 1.871 -2.744 1.00 0.00 H new ATOM 1656 N VAL A 104 3.028 1.879 2.288 1.00 0.00 N ATOM 1657 CA VAL A 104 3.259 2.404 3.620 1.00 0.00 C ATOM 1658 C VAL A 104 4.766 2.630 3.870 1.00 0.00 C ATOM 1659 O VAL A 104 5.174 3.667 4.355 1.00 0.00 O ATOM 1660 CB VAL A 104 2.671 1.457 4.705 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.833 2.053 6.077 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.207 1.191 4.441 1.00 0.00 C ATOM 0 H VAL A 104 2.708 0.911 2.269 1.00 0.00 H new ATOM 0 HA VAL A 104 2.748 3.364 3.689 1.00 0.00 H new ATOM 0 HB VAL A 104 3.219 0.516 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.415 1.374 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.892 2.209 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.310 3.008 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.813 0.527 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.657 2.132 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.093 0.722 3.464 1.00 0.00 H new ATOM 1672 N ARG A 105 5.559 1.667 3.456 1.00 0.00 N ATOM 1673 CA ARG A 105 7.012 1.633 3.656 1.00 0.00 C ATOM 1674 C ARG A 105 7.722 2.725 2.837 1.00 0.00 C ATOM 1675 O ARG A 105 8.722 3.307 3.279 1.00 0.00 O ATOM 1676 CB ARG A 105 7.495 0.246 3.234 1.00 0.00 C ATOM 1677 CG ARG A 105 8.949 -0.067 3.459 1.00 0.00 C ATOM 1678 CD ARG A 105 9.236 -1.478 2.968 1.00 0.00 C ATOM 1679 NE ARG A 105 10.607 -1.906 3.226 1.00 0.00 N ATOM 1680 CZ ARG A 105 10.956 -3.158 3.586 1.00 0.00 C ATOM 1681 NH1 ARG A 105 10.041 -4.124 3.688 1.00 0.00 N ATOM 1682 NH2 ARG A 105 12.224 -3.451 3.814 1.00 0.00 N ATOM 0 H ARG A 105 5.209 0.852 2.952 1.00 0.00 H new ATOM 0 HA ARG A 105 7.248 1.827 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.902 -0.496 3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.282 0.121 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.575 0.650 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.193 0.020 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.548 -2.172 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.041 -1.530 1.897 1.00 0.00 H new ATOM 0 HE ARG A 105 11.349 -1.213 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.061 -3.921 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.322 -5.066 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.939 -2.730 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.488 -4.398 4.086 1.00 0.00 H new ATOM 1696 N GLN A 106 7.196 2.996 1.660 1.00 0.00 N ATOM 1697 CA GLN A 106 7.750 3.996 0.761 1.00 0.00 C ATOM 1698 C GLN A 106 7.147 5.368 1.098 1.00 0.00 C ATOM 1699 O GLN A 106 7.487 6.397 0.494 1.00 0.00 O ATOM 1700 CB GLN A 106 7.431 3.601 -0.682 1.00 0.00 C ATOM 1701 CG GLN A 106 8.202 4.342 -1.747 1.00 0.00 C ATOM 1702 CD GLN A 106 9.686 4.074 -1.673 1.00 0.00 C ATOM 1703 OE1 GLN A 106 10.408 4.929 -1.010 1.00 0.00 O flip ATOM 1704 NE2 GLN A 106 10.180 3.112 -2.255 1.00 0.00 N flip ATOM 0 H GLN A 106 6.367 2.527 1.295 1.00 0.00 H new ATOM 0 HA GLN A 106 8.832 4.054 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.620 2.534 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.366 3.756 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.831 4.050 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.023 5.412 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.582 2.462 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.189 2.963 -2.228 1.00 0.00 H new ATOM 1713 N GLY A 107 6.243 5.356 2.049 1.00 0.00 N ATOM 1714 CA GLY A 107 5.647 6.557 2.557 1.00 0.00 C ATOM 1715 C GLY A 107 4.658 7.202 1.609 1.00 0.00 C ATOM 1716 O GLY A 107 4.741 8.410 1.350 1.00 0.00 O ATOM 0 H GLY A 107 5.902 4.503 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.141 6.330 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.436 7.274 2.786 1.00 0.00 H new ATOM 1720 N LEU A 108 3.760 6.395 1.053 1.00 0.00 N ATOM 1721 CA LEU A 108 2.644 6.892 0.237 1.00 0.00 C ATOM 1722 C LEU A 108 1.320 6.445 0.842 1.00 0.00 C ATOM 1723 O LEU A 108 0.259 6.714 0.298 1.00 0.00 O ATOM 1724 CB LEU A 108 2.684 6.442 -1.253 1.00 0.00 C ATOM 1725 CG LEU A 108 3.837 6.939 -2.133 1.00 0.00 C ATOM 1726 CD1 LEU A 108 5.096 6.160 -1.893 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.449 6.907 -3.596 1.00 0.00 C ATOM 0 H LEU A 108 3.780 5.380 1.152 1.00 0.00 H new ATOM 0 HA LEU A 108 2.743 7.977 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.699 5.352 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.750 6.756 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 108 4.039 7.973 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.889 6.543 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.394 6.262 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.922 5.108 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.282 7.264 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.202 5.885 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.583 7.549 -3.757 1.00 0.00 H new ATOM 1739 N ALA A 109 1.390 5.750 1.958 1.00 0.00 N ATOM 1740 CA ALA A 109 0.204 5.294 2.648 1.00 0.00 C ATOM 1741 C ALA A 109 0.369 5.470 4.135 1.00 0.00 C ATOM 1742 O ALA A 109 1.493 5.583 4.629 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.087 3.839 2.332 1.00 0.00 C ATOM 0 H ALA A 109 2.266 5.487 2.410 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.638 5.895 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.984 3.523 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.242 3.724 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.756 3.223 2.645 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.740 5.520 4.827 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.766 5.653 6.265 1.00 0.00 C ATOM 1751 C LYS A 110 -1.601 4.522 6.817 1.00 0.00 C ATOM 1752 O LYS A 110 -2.492 4.021 6.114 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.419 6.987 6.668 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.733 8.227 6.123 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.450 9.492 6.560 1.00 0.00 C ATOM 1756 CE LYS A 110 -0.734 10.734 6.062 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.418 11.977 6.472 1.00 0.00 N ATOM 0 H LYS A 110 -1.666 5.469 4.403 1.00 0.00 H new ATOM 0 HA LYS A 110 0.251 5.626 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.455 6.984 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.440 7.050 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.301 8.255 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.704 8.180 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.472 9.482 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.514 9.519 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.287 10.740 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.667 10.701 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.893 12.798 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.384 11.985 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.460 12.024 7.510 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.327 4.104 8.027 1.00 0.00 N ATOM 1772 CA VAL A 111 -2.127 3.082 8.663 1.00 0.00 C ATOM 1773 C VAL A 111 -3.435 3.714 9.128 1.00 0.00 C ATOM 1774 O VAL A 111 -3.454 4.846 9.636 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.371 2.410 9.855 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -2.231 1.367 10.563 1.00 0.00 C ATOM 1777 CG2 VAL A 111 -0.091 1.768 9.361 1.00 0.00 C ATOM 0 H VAL A 111 -0.555 4.455 8.594 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.333 2.289 7.944 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.137 3.193 10.577 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.666 0.926 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.130 1.842 10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.512 0.587 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.429 1.302 10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.329 1.010 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.549 2.529 8.914 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.499 3.012 8.941 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.809 3.480 9.274 1.00 0.00 C ATOM 1789 C ALA A 112 -6.332 2.695 10.461 1.00 0.00 C ATOM 1790 O ALA A 112 -5.584 1.941 11.086 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.735 3.344 8.071 1.00 0.00 C ATOM 0 H ALA A 112 -4.487 2.073 8.543 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.768 4.535 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.730 3.703 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.344 3.935 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.794 2.297 7.774 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.584 2.885 10.785 1.00 0.00 N ATOM 1798 CA TYR A 113 -8.177 2.228 11.922 1.00 0.00 C ATOM 1799 C TYR A 113 -8.427 0.763 11.620 1.00 0.00 C ATOM 1800 O TYR A 113 -9.338 0.414 10.861 1.00 0.00 O ATOM 1801 CB TYR A 113 -9.459 2.939 12.351 1.00 0.00 C ATOM 1802 CG TYR A 113 -9.233 4.377 12.764 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -8.833 4.689 14.055 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -9.403 5.421 11.861 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -8.612 5.991 14.438 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -9.182 6.730 12.241 1.00 0.00 C ATOM 1807 CZ TYR A 113 -8.786 7.006 13.532 1.00 0.00 C ATOM 1808 OH TYR A 113 -8.573 8.312 13.921 1.00 0.00 O ATOM 0 H TYR A 113 -8.219 3.496 10.272 1.00 0.00 H new ATOM 0 HA TYR A 113 -7.478 2.281 12.757 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.174 2.912 11.529 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -9.908 2.395 13.182 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -8.693 3.894 14.773 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.712 5.205 10.849 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.303 6.214 15.448 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -9.319 7.532 11.531 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.738 8.910 13.162 1.00 0.00 H new ATOM 1818 N VAL A 114 -7.589 -0.069 12.190 1.00 0.00 N ATOM 1819 CA VAL A 114 -7.623 -1.508 12.004 1.00 0.00 C ATOM 1820 C VAL A 114 -8.964 -2.098 12.491 1.00 0.00 C ATOM 1821 O VAL A 114 -9.538 -1.653 13.507 1.00 0.00 O ATOM 1822 CB VAL A 114 -6.419 -2.180 12.732 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -6.413 -3.683 12.541 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.104 -1.588 12.239 1.00 0.00 C ATOM 0 H VAL A 114 -6.843 0.240 12.813 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.538 -1.717 10.938 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.529 -1.979 13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.559 -4.113 13.064 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -7.334 -4.105 12.943 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.342 -3.914 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.273 -2.067 12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.009 -1.756 11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.089 -0.517 12.441 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.456 -3.072 11.764 1.00 0.00 N ATOM 1835 CA TYR A 115 -10.728 -3.689 12.033 1.00 0.00 C ATOM 1836 C TYR A 115 -10.517 -5.192 12.100 1.00 0.00 C ATOM 1837 O TYR A 115 -9.898 -5.767 11.221 1.00 0.00 O ATOM 1838 CB TYR A 115 -11.680 -3.319 10.897 1.00 0.00 C ATOM 1839 CG TYR A 115 -13.129 -3.720 11.070 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -13.987 -2.948 11.839 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -13.649 -4.834 10.423 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -15.320 -3.271 11.963 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -14.983 -5.171 10.549 1.00 0.00 C ATOM 1844 CZ TYR A 115 -15.813 -4.382 11.319 1.00 0.00 C ATOM 1845 OH TYR A 115 -17.149 -4.695 11.433 1.00 0.00 O ATOM 0 H TYR A 115 -8.973 -3.463 10.955 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.154 -3.350 12.977 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.640 -2.239 10.757 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.308 -3.774 9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -13.603 -2.078 12.350 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.001 -5.446 9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -15.974 -2.656 12.562 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -15.373 -6.045 10.049 1.00 0.00 H new ATOM 0 HH TYR A 115 -17.340 -5.507 10.919 1.00 0.00 H new ATOM 1855 N LYS A 116 -11.013 -5.808 13.133 1.00 0.00 N ATOM 1856 CA LYS A 116 -10.817 -7.227 13.347 1.00 0.00 C ATOM 1857 C LYS A 116 -12.017 -8.003 12.791 1.00 0.00 C ATOM 1858 O LYS A 116 -13.105 -7.431 12.661 1.00 0.00 O ATOM 1859 CB LYS A 116 -10.655 -7.468 14.848 1.00 0.00 C ATOM 1860 CG LYS A 116 -9.458 -6.727 15.422 1.00 0.00 C ATOM 1861 CD LYS A 116 -9.437 -6.696 16.947 1.00 0.00 C ATOM 1862 CE LYS A 116 -10.643 -5.950 17.511 1.00 0.00 C ATOM 1863 NZ LYS A 116 -10.590 -5.829 18.982 1.00 0.00 N ATOM 0 H LYS A 116 -11.566 -5.348 13.856 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.924 -7.575 12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.560 -7.149 15.365 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.542 -8.536 15.033 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.543 -7.198 15.063 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.459 -5.704 15.045 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.427 -7.716 17.332 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.520 -6.217 17.289 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.691 -4.955 17.068 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.556 -6.471 17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.429 -5.316 19.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.571 -6.778 19.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.733 -5.309 19.257 1.00 0.00 H new ATOM 1877 N PRO A 117 -11.875 -9.310 12.446 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.620 -10.080 12.529 1.00 0.00 C ATOM 1879 C PRO A 117 -9.680 -9.900 11.315 1.00 0.00 C ATOM 1880 O PRO A 117 -8.728 -10.686 11.137 1.00 0.00 O ATOM 1881 CB PRO A 117 -11.091 -11.543 12.618 1.00 0.00 C ATOM 1882 CG PRO A 117 -12.576 -11.529 12.379 1.00 0.00 C ATOM 1883 CD PRO A 117 -12.958 -10.142 11.935 1.00 0.00 C ATOM 0 HA PRO A 117 -10.025 -9.742 13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.584 -12.159 11.875 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -10.859 -11.966 13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -12.847 -12.262 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.112 -11.800 13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.037 -10.076 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.922 -9.841 12.344 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.934 -8.896 10.491 1.00 0.00 N ATOM 1892 CA ASN A 118 -9.107 -8.635 9.304 1.00 0.00 C ATOM 1893 C ASN A 118 -7.859 -7.898 9.677 1.00 0.00 C ATOM 1894 O ASN A 118 -7.699 -6.722 9.383 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.857 -7.850 8.225 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.942 -8.631 7.565 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -12.072 -8.668 8.043 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.627 -9.247 6.451 1.00 0.00 N ATOM 0 H ASN A 118 -10.707 -8.242 10.615 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.850 -9.610 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.286 -6.953 8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.146 -7.520 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.334 -9.783 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -9.675 -9.190 6.088 1.00 0.00 H new ATOM 1905 N ASN A 119 -7.006 -8.580 10.348 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.782 -8.025 10.805 1.00 0.00 C ATOM 1907 C ASN A 119 -4.775 -9.099 11.102 1.00 0.00 C ATOM 1908 O ASN A 119 -4.743 -9.675 12.185 1.00 0.00 O ATOM 1909 CB ASN A 119 -5.961 -7.063 12.011 1.00 0.00 C ATOM 1910 CG ASN A 119 -6.675 -7.654 13.242 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -7.568 -8.490 13.144 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -6.267 -7.234 14.404 1.00 0.00 N ATOM 0 H ASN A 119 -7.140 -9.559 10.601 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.397 -7.415 9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.977 -6.711 12.320 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.520 -6.190 11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -6.691 -7.600 15.256 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.523 -6.538 14.463 1.00 0.00 H new ATOM 1919 N THR A 120 -4.049 -9.463 10.099 1.00 0.00 N ATOM 1920 CA THR A 120 -2.946 -10.371 10.280 1.00 0.00 C ATOM 1921 C THR A 120 -1.646 -9.646 9.943 1.00 0.00 C ATOM 1922 O THR A 120 -0.600 -9.890 10.533 1.00 0.00 O ATOM 1923 CB THR A 120 -3.103 -11.620 9.390 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.416 -12.167 9.578 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.067 -12.680 9.746 1.00 0.00 C ATOM 0 H THR A 120 -4.193 -9.150 9.139 1.00 0.00 H new ATOM 0 HA THR A 120 -2.928 -10.703 11.318 1.00 0.00 H new ATOM 0 HB THR A 120 -2.956 -11.326 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.524 -12.961 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.201 -13.550 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.066 -12.273 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.192 -12.976 10.788 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.717 -8.707 9.013 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.520 -7.990 8.610 1.00 0.00 C ATOM 1935 C HIS A 121 -0.566 -6.544 9.081 1.00 0.00 C ATOM 1936 O HIS A 121 0.181 -5.711 8.570 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.302 -8.023 7.081 1.00 0.00 C ATOM 1938 CG HIS A 121 -0.129 -9.385 6.452 1.00 0.00 C ATOM 1939 ND1 HIS A 121 1.087 -9.962 6.217 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -1.039 -10.240 5.937 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.919 -11.096 5.582 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -0.365 -11.288 5.399 1.00 0.00 N ATOM 0 H HIS A 121 -2.572 -8.428 8.532 1.00 0.00 H new ATOM 0 HA HIS A 121 0.318 -8.502 9.083 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.152 -7.533 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.580 -7.426 6.850 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.111 -10.112 5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.707 -11.762 5.263 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.787 -12.090 4.931 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.418 -6.239 10.080 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.513 -4.885 10.595 1.00 0.00 C ATOM 1953 C GLU A 122 -0.151 -4.427 11.150 1.00 0.00 C ATOM 1954 O GLU A 122 0.297 -3.336 10.873 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.583 -4.772 11.699 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.285 -5.580 12.951 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.117 -5.178 14.124 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -2.868 -4.097 14.697 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -3.996 -5.938 14.517 1.00 0.00 O ATOM 0 H GLU A 122 -2.037 -6.912 10.532 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.806 -4.240 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.692 -3.723 11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.541 -5.095 11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.451 -6.637 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.231 -5.467 13.206 1.00 0.00 H new ATOM 1966 N GLN A 123 0.514 -5.330 11.883 1.00 0.00 N ATOM 1967 CA GLN A 123 1.798 -5.067 12.543 1.00 0.00 C ATOM 1968 C GLN A 123 2.866 -4.813 11.500 1.00 0.00 C ATOM 1969 O GLN A 123 3.714 -3.927 11.643 1.00 0.00 O ATOM 1970 CB GLN A 123 2.189 -6.278 13.378 1.00 0.00 C ATOM 1971 CG GLN A 123 1.133 -6.709 14.378 1.00 0.00 C ATOM 1972 CD GLN A 123 1.529 -7.961 15.123 1.00 0.00 C ATOM 1973 OE1 GLN A 123 1.225 -9.075 14.690 1.00 0.00 O ATOM 1974 NE2 GLN A 123 2.212 -7.806 16.213 1.00 0.00 N ATOM 0 H GLN A 123 0.169 -6.278 12.036 1.00 0.00 H new ATOM 0 HA GLN A 123 1.703 -4.190 13.184 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.403 -7.112 12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.111 -6.054 13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.961 -5.903 15.091 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.191 -6.881 13.857 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.445 -6.868 16.540 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.517 -8.622 16.744 1.00 0.00 H new ATOM 1983 N LEU A 124 2.778 -5.589 10.440 1.00 0.00 N ATOM 1984 CA LEU A 124 3.656 -5.507 9.298 1.00 0.00 C ATOM 1985 C LEU A 124 3.578 -4.090 8.715 1.00 0.00 C ATOM 1986 O LEU A 124 4.598 -3.451 8.461 1.00 0.00 O ATOM 1987 CB LEU A 124 3.206 -6.604 8.281 1.00 0.00 C ATOM 1988 CG LEU A 124 3.951 -6.782 6.935 1.00 0.00 C ATOM 1989 CD1 LEU A 124 3.723 -5.644 5.977 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.430 -7.060 7.140 1.00 0.00 C ATOM 0 H LEU A 124 2.069 -6.317 10.349 1.00 0.00 H new ATOM 0 HA LEU A 124 4.698 -5.688 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.248 -7.561 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.159 -6.415 8.046 1.00 0.00 H new ATOM 0 HG LEU A 124 3.514 -7.663 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.272 -5.830 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.659 -5.562 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 124 4.073 -4.715 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.916 -7.178 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.886 -6.227 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.551 -7.974 7.721 1.00 0.00 H new ATOM 2002 N LEU A 125 2.377 -3.616 8.534 1.00 0.00 N ATOM 2003 CA LEU A 125 2.137 -2.284 8.004 1.00 0.00 C ATOM 2004 C LEU A 125 2.516 -1.191 9.013 1.00 0.00 C ATOM 2005 O LEU A 125 3.145 -0.200 8.648 1.00 0.00 O ATOM 2006 CB LEU A 125 0.682 -2.165 7.556 1.00 0.00 C ATOM 2007 CG LEU A 125 0.282 -3.135 6.439 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.193 -3.040 6.125 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.108 -2.869 5.195 1.00 0.00 C ATOM 0 H LEU A 125 1.527 -4.138 8.748 1.00 0.00 H new ATOM 0 HA LEU A 125 2.780 -2.134 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.035 -2.334 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.501 -1.145 7.217 1.00 0.00 H new ATOM 0 HG LEU A 125 0.480 -4.149 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.441 -3.742 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.771 -3.283 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.432 -2.026 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.815 -3.564 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.938 -1.847 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.165 -3.005 5.424 1.00 0.00 H new ATOM 2021 N ARG A 126 2.176 -1.403 10.283 1.00 0.00 N ATOM 2022 CA ARG A 126 2.486 -0.444 11.352 1.00 0.00 C ATOM 2023 C ARG A 126 3.988 -0.177 11.468 1.00 0.00 C ATOM 2024 O ARG A 126 4.419 0.961 11.707 1.00 0.00 O ATOM 2025 CB ARG A 126 1.963 -0.912 12.704 1.00 0.00 C ATOM 2026 CG ARG A 126 0.464 -1.027 12.839 1.00 0.00 C ATOM 2027 CD ARG A 126 0.145 -1.538 14.220 1.00 0.00 C ATOM 2028 NE ARG A 126 -1.295 -1.786 14.466 1.00 0.00 N ATOM 2029 CZ ARG A 126 -2.171 -0.933 15.019 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -1.853 0.348 15.215 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -3.387 -1.373 15.336 1.00 0.00 N ATOM 0 H ARG A 126 1.682 -2.236 10.603 1.00 0.00 H new ATOM 0 HA ARG A 126 1.982 0.482 11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.402 -1.886 12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.323 -0.222 13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.006 -0.057 12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.067 -1.705 12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.694 -2.465 14.386 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.507 -0.817 14.953 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.657 -2.698 14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.932 0.692 14.943 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.531 0.983 15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.640 -2.345 15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.065 -0.738 15.757 1.00 0.00 H new ATOM 2045 N LYS A 127 4.787 -1.217 11.304 1.00 0.00 N ATOM 2046 CA LYS A 127 6.237 -1.068 11.391 1.00 0.00 C ATOM 2047 C LYS A 127 6.765 -0.309 10.187 1.00 0.00 C ATOM 2048 O LYS A 127 7.711 0.460 10.290 1.00 0.00 O ATOM 2049 CB LYS A 127 6.967 -2.433 11.625 1.00 0.00 C ATOM 2050 CG LYS A 127 7.034 -3.444 10.458 1.00 0.00 C ATOM 2051 CD LYS A 127 8.202 -3.158 9.499 1.00 0.00 C ATOM 2052 CE LYS A 127 8.290 -4.178 8.357 1.00 0.00 C ATOM 2053 NZ LYS A 127 7.101 -4.138 7.488 1.00 0.00 N ATOM 0 H LYS A 127 4.465 -2.166 11.112 1.00 0.00 H new ATOM 0 HA LYS A 127 6.462 -0.472 12.275 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.989 -2.213 11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.481 -2.929 12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.136 -4.452 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.097 -3.416 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.087 -2.158 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.137 -3.164 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.181 -3.979 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.401 -5.179 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.194 -4.854 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.251 -4.336 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.018 -3.195 7.057 1.00 0.00 H new ATOM 2067 N SER A 128 6.120 -0.512 9.061 1.00 0.00 N ATOM 2068 CA SER A 128 6.471 0.166 7.831 1.00 0.00 C ATOM 2069 C SER A 128 6.151 1.651 7.903 1.00 0.00 C ATOM 2070 O SER A 128 6.900 2.468 7.377 1.00 0.00 O ATOM 2071 CB SER A 128 5.747 -0.475 6.670 1.00 0.00 C ATOM 2072 OG SER A 128 6.166 -1.811 6.497 1.00 0.00 O ATOM 0 H SER A 128 5.333 -1.155 8.971 1.00 0.00 H new ATOM 0 HA SER A 128 7.547 0.069 7.683 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.672 -0.446 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.937 0.092 5.759 1.00 0.00 H new ATOM 0 HG SER A 128 6.939 -1.836 5.896 1.00 0.00 H new ATOM 2078 N GLU A 129 5.052 1.991 8.566 1.00 0.00 N ATOM 2079 CA GLU A 129 4.653 3.378 8.721 1.00 0.00 C ATOM 2080 C GLU A 129 5.682 4.121 9.534 1.00 0.00 C ATOM 2081 O GLU A 129 6.179 5.158 9.122 1.00 0.00 O ATOM 2082 CB GLU A 129 3.289 3.489 9.391 1.00 0.00 C ATOM 2083 CG GLU A 129 2.840 4.920 9.557 1.00 0.00 C ATOM 2084 CD GLU A 129 1.565 5.059 10.327 1.00 0.00 C ATOM 2085 OE1 GLU A 129 1.626 5.134 11.572 1.00 0.00 O ATOM 2086 OE2 GLU A 129 0.502 5.135 9.716 1.00 0.00 O ATOM 0 H GLU A 129 4.422 1.320 9.005 1.00 0.00 H new ATOM 0 HA GLU A 129 4.582 3.822 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.552 2.947 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.328 3.008 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.624 5.482 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.711 5.369 8.572 1.00 0.00 H new ATOM 2093 N ALA A 130 6.022 3.549 10.674 1.00 0.00 N ATOM 2094 CA ALA A 130 7.016 4.122 11.570 1.00 0.00 C ATOM 2095 C ALA A 130 8.360 4.252 10.863 1.00 0.00 C ATOM 2096 O ALA A 130 9.102 5.218 11.068 1.00 0.00 O ATOM 2097 CB ALA A 130 7.150 3.258 12.811 1.00 0.00 C ATOM 0 H ALA A 130 5.618 2.674 11.007 1.00 0.00 H new ATOM 0 HA ALA A 130 6.690 5.119 11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 130 7.895 3.692 13.478 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.190 3.207 13.324 1.00 0.00 H new ATOM 0 HB3 ALA A 130 7.461 2.254 12.523 1.00 0.00 H new ATOM 2103 N GLN A 131 8.634 3.289 10.010 1.00 0.00 N ATOM 2104 CA GLN A 131 9.853 3.225 9.241 1.00 0.00 C ATOM 2105 C GLN A 131 9.877 4.406 8.255 1.00 0.00 C ATOM 2106 O GLN A 131 10.855 5.162 8.190 1.00 0.00 O ATOM 2107 CB GLN A 131 9.883 1.867 8.507 1.00 0.00 C ATOM 2108 CG GLN A 131 11.262 1.324 8.151 1.00 0.00 C ATOM 2109 CD GLN A 131 11.982 2.082 7.067 1.00 0.00 C ATOM 2110 OE1 GLN A 131 13.208 2.172 7.083 1.00 0.00 O ATOM 2111 NE2 GLN A 131 11.260 2.571 6.086 1.00 0.00 N ATOM 0 H GLN A 131 7.999 2.512 9.829 1.00 0.00 H new ATOM 0 HA GLN A 131 10.736 3.299 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.375 1.130 9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.304 1.962 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.880 1.327 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 131 11.158 0.285 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.244 2.478 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.715 3.044 5.305 1.00 0.00 H new ATOM 2120 N ALA A 132 8.774 4.577 7.534 1.00 0.00 N ATOM 2121 CA ALA A 132 8.618 5.647 6.560 1.00 0.00 C ATOM 2122 C ALA A 132 8.646 7.015 7.234 1.00 0.00 C ATOM 2123 O ALA A 132 9.172 7.989 6.675 1.00 0.00 O ATOM 2124 CB ALA A 132 7.322 5.469 5.804 1.00 0.00 C ATOM 0 H ALA A 132 7.957 3.971 7.611 1.00 0.00 H new ATOM 0 HA ALA A 132 9.454 5.597 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 132 7.212 6.273 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.332 4.510 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.486 5.495 6.503 1.00 0.00 H new ATOM 2130 N LYS A 133 8.088 7.074 8.434 1.00 0.00 N ATOM 2131 CA LYS A 133 8.044 8.282 9.229 1.00 0.00 C ATOM 2132 C LYS A 133 9.434 8.753 9.616 1.00 0.00 C ATOM 2133 O LYS A 133 9.752 9.941 9.486 1.00 0.00 O ATOM 2134 CB LYS A 133 7.195 8.074 10.481 1.00 0.00 C ATOM 2135 CG LYS A 133 5.694 8.081 10.248 1.00 0.00 C ATOM 2136 CD LYS A 133 4.931 7.703 11.512 1.00 0.00 C ATOM 2137 CE LYS A 133 3.443 7.971 11.365 1.00 0.00 C ATOM 2138 NZ LYS A 133 2.650 7.413 12.484 1.00 0.00 N ATOM 0 H LYS A 133 7.649 6.271 8.885 1.00 0.00 H new ATOM 0 HA LYS A 133 7.587 9.056 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.472 7.123 10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.439 8.855 11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.381 9.071 9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.445 7.382 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.092 6.648 11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.322 8.269 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 133 3.275 9.046 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 133 3.091 7.542 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 1.964 6.724 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.286 6.941 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 2.142 8.182 12.967 1.00 0.00 H new ATOM 2152 N LYS A 134 10.271 7.841 10.073 1.00 0.00 N ATOM 2153 CA LYS A 134 11.597 8.222 10.498 1.00 0.00 C ATOM 2154 C LYS A 134 12.545 8.467 9.319 1.00 0.00 C ATOM 2155 O LYS A 134 13.515 9.226 9.438 1.00 0.00 O ATOM 2156 CB LYS A 134 12.152 7.271 11.589 1.00 0.00 C ATOM 2157 CG LYS A 134 12.273 5.786 11.230 1.00 0.00 C ATOM 2158 CD LYS A 134 13.453 5.494 10.332 1.00 0.00 C ATOM 2159 CE LYS A 134 13.599 4.009 10.071 1.00 0.00 C ATOM 2160 NZ LYS A 134 14.732 3.724 9.173 1.00 0.00 N ATOM 0 H LYS A 134 10.058 6.847 10.157 1.00 0.00 H new ATOM 0 HA LYS A 134 11.518 9.194 10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.140 7.630 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 134 11.512 7.355 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.366 5.202 12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.357 5.461 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.330 6.020 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.365 5.875 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.743 3.485 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.679 3.624 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.398 3.171 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.144 4.619 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.455 3.181 9.687 1.00 0.00 H new ATOM 2174 N GLU A 135 12.256 7.851 8.166 1.00 0.00 N ATOM 2175 CA GLU A 135 13.060 8.119 6.977 1.00 0.00 C ATOM 2176 C GLU A 135 12.573 9.371 6.273 1.00 0.00 C ATOM 2177 O GLU A 135 13.237 9.881 5.379 1.00 0.00 O ATOM 2178 CB GLU A 135 13.096 6.964 5.989 1.00 0.00 C ATOM 2179 CG GLU A 135 13.657 5.670 6.506 1.00 0.00 C ATOM 2180 CD GLU A 135 13.934 4.698 5.381 1.00 0.00 C ATOM 2181 OE1 GLU A 135 12.986 4.211 4.722 1.00 0.00 O ATOM 2182 OE2 GLU A 135 15.116 4.385 5.151 1.00 0.00 O ATOM 0 H GLU A 135 11.495 7.184 8.036 1.00 0.00 H new ATOM 0 HA GLU A 135 14.079 8.260 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.081 6.782 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.683 7.271 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.578 5.865 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.955 5.223 7.210 1.00 0.00 H new ATOM 2189 N LYS A 136 11.402 9.846 6.683 1.00 0.00 N ATOM 2190 CA LYS A 136 10.794 11.070 6.164 1.00 0.00 C ATOM 2191 C LYS A 136 10.497 10.950 4.677 1.00 0.00 C ATOM 2192 O LYS A 136 10.905 11.796 3.878 1.00 0.00 O ATOM 2193 CB LYS A 136 11.655 12.319 6.463 1.00 0.00 C ATOM 2194 CG LYS A 136 12.014 12.471 7.937 1.00 0.00 C ATOM 2195 CD LYS A 136 12.931 13.658 8.181 1.00 0.00 C ATOM 2196 CE LYS A 136 13.199 13.859 9.672 1.00 0.00 C ATOM 2197 NZ LYS A 136 13.807 12.665 10.308 1.00 0.00 N ATOM 0 H LYS A 136 10.838 9.385 7.397 1.00 0.00 H new ATOM 0 HA LYS A 136 9.847 11.202 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 136 12.573 12.267 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 136 11.117 13.208 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.102 12.592 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 136 12.499 11.560 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 136 13.875 13.504 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 136 12.480 14.559 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 136 13.861 14.714 9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.263 14.098 10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 14.092 12.897 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.113 11.890 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 14.642 12.369 9.763 1.00 0.00 H new ATOM 2211 N LEU A 137 9.818 9.873 4.304 1.00 0.00 N ATOM 2212 CA LEU A 137 9.406 9.649 2.905 1.00 0.00 C ATOM 2213 C LEU A 137 8.380 10.679 2.458 1.00 0.00 C ATOM 2214 O LEU A 137 7.994 11.506 3.238 1.00 0.00 O ATOM 2215 CB LEU A 137 8.858 8.237 2.682 1.00 0.00 C ATOM 2216 CG LEU A 137 9.866 7.088 2.512 1.00 0.00 C ATOM 2217 CD1 LEU A 137 10.770 7.327 1.321 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.678 6.891 3.743 1.00 0.00 C ATOM 0 H LEU A 137 9.535 9.132 4.946 1.00 0.00 H new ATOM 0 HA LEU A 137 10.305 9.760 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.213 7.993 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.226 8.261 1.794 1.00 0.00 H new ATOM 0 HG LEU A 137 9.292 6.179 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 137 11.472 6.499 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 137 10.168 7.398 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 137 11.322 8.256 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 137 11.380 6.072 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 137 11.230 7.804 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 137 10.020 6.652 4.579 1.00 0.00 H new ATOM 2230 N ASN A 138 7.905 10.547 1.222 1.00 0.00 N ATOM 2231 CA ASN A 138 7.015 11.535 0.519 1.00 0.00 C ATOM 2232 C ASN A 138 6.037 12.293 1.431 1.00 0.00 C ATOM 2233 O ASN A 138 6.114 13.523 1.559 1.00 0.00 O ATOM 2234 CB ASN A 138 6.185 10.817 -0.563 1.00 0.00 C ATOM 2235 CG ASN A 138 7.025 10.103 -1.590 1.00 0.00 C ATOM 2236 OD1 ASN A 138 7.400 10.678 -2.607 1.00 0.00 O ATOM 2237 ND2 ASN A 138 7.299 8.836 -1.357 1.00 0.00 N ATOM 0 H ASN A 138 8.121 9.734 0.645 1.00 0.00 H new ATOM 0 HA ASN A 138 7.698 12.273 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.522 10.097 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.551 11.547 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.840 8.298 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.970 8.392 -0.500 1.00 0.00 H new ATOM 2244 N ILE A 139 5.162 11.570 2.095 1.00 0.00 N ATOM 2245 CA ILE A 139 4.144 12.195 2.939 1.00 0.00 C ATOM 2246 C ILE A 139 4.648 12.525 4.344 1.00 0.00 C ATOM 2247 O ILE A 139 3.994 13.235 5.097 1.00 0.00 O ATOM 2248 CB ILE A 139 2.848 11.353 3.003 1.00 0.00 C ATOM 2249 CG1 ILE A 139 3.134 9.960 3.585 1.00 0.00 C ATOM 2250 CG2 ILE A 139 2.240 11.248 1.605 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.918 9.070 3.713 1.00 0.00 C ATOM 0 H ILE A 139 5.127 10.551 2.073 1.00 0.00 H new ATOM 0 HA ILE A 139 3.908 13.144 2.458 1.00 0.00 H new ATOM 0 HB ILE A 139 2.133 11.845 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.869 9.461 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 139 3.587 10.078 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 139 1.327 10.655 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 139 2.007 12.246 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.952 10.768 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.214 8.108 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 139 1.188 9.543 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 139 1.474 8.916 2.729 1.00 0.00 H new ATOM 2263 N TRP A 140 5.816 12.037 4.676 1.00 0.00 N ATOM 2264 CA TRP A 140 6.367 12.210 6.003 1.00 0.00 C ATOM 2265 C TRP A 140 7.494 13.238 6.007 1.00 0.00 C ATOM 2266 O TRP A 140 8.085 13.529 7.060 1.00 0.00 O ATOM 2267 CB TRP A 140 6.847 10.869 6.569 1.00 0.00 C ATOM 2268 CG TRP A 140 5.777 9.810 6.584 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.773 8.642 5.879 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.537 9.843 7.306 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.627 7.931 6.143 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.850 8.649 7.010 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.944 10.762 8.182 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.608 8.350 7.556 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.708 10.464 8.719 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.052 9.269 8.405 1.00 0.00 C ATOM 0 H TRP A 140 6.413 11.510 4.039 1.00 0.00 H new ATOM 0 HA TRP A 140 5.574 12.589 6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 140 7.691 10.514 5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 140 7.212 11.021 7.585 1.00 0.00 H new ATOM 0 HD1 TRP A 140 6.558 8.322 5.210 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.394 7.017 5.756 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.445 11.686 8.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.100 7.427 7.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.239 11.165 9.393 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.085 9.067 8.842 1.00 0.00 H new ATOM 2287 N SER A 141 7.812 13.770 4.828 1.00 0.00 N ATOM 2288 CA SER A 141 8.786 14.828 4.718 1.00 0.00 C ATOM 2289 C SER A 141 8.108 16.121 5.179 1.00 0.00 C ATOM 2290 O SER A 141 6.859 16.150 5.323 1.00 0.00 O ATOM 2291 CB SER A 141 9.247 14.993 3.257 1.00 0.00 C ATOM 2292 OG SER A 141 9.535 13.747 2.637 1.00 0.00 O ATOM 0 H SER A 141 7.403 13.478 3.941 1.00 0.00 H new ATOM 0 HA SER A 141 9.660 14.595 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 141 8.471 15.508 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 141 10.135 15.624 3.228 1.00 0.00 H new ATOM 0 HG SER A 141 9.837 13.107 3.314 1.00 0.00 H new