USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 Single : A 11 CYS SG : rot 20:sc= 0.00211 USER MOD Single : A 14 ASN : amide:sc= -3.16! C(o=-3.2!,f=-5.8!) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0.0161 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.0244 (180deg=-0.214) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 116:sc= 0.0306 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -102:sc= 0.495 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 42 TYR OH : rot -105:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.24) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.393 K(o=0.39,f=-8.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.704 USER MOD Single : A 67 HIS : no HD1:sc= -3.55 X(o=-3.5,f=-3.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -19:sc= 0.612 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -129:sc= -0.465 (180deg=-0.985) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.879 4.347 0.344 1.00 0.00 N ATOM 60 CA GLY A 7 -1.680 3.646 0.766 1.00 0.00 C ATOM 61 C GLY A 7 -1.970 2.574 1.797 1.00 0.00 C ATOM 62 O GLY A 7 -3.064 2.525 2.364 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.204 3.191 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.971 4.362 1.180 1.00 0.00 H new ATOM 66 N LEU A 8 -0.991 1.710 2.042 1.00 0.00 N ATOM 67 CA LEU A 8 -1.146 0.631 3.011 1.00 0.00 C ATOM 68 C LEU A 8 0.190 0.286 3.659 1.00 0.00 C ATOM 69 O LEU A 8 1.197 0.106 2.972 1.00 0.00 O ATOM 70 CB LEU A 8 -1.734 -0.608 2.336 1.00 0.00 C ATOM 71 CG LEU A 8 -3.260 -0.670 2.258 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.708 -1.940 1.550 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.869 -0.591 3.651 1.00 0.00 C ATOM 0 H LEU A 8 -0.081 1.736 1.582 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.829 0.971 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.336 -0.669 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.381 -1.490 2.871 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.610 0.186 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.797 -1.966 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.302 -1.955 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.347 -2.809 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.955 -0.637 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.511 -1.427 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.577 0.347 4.123 1.00 0.00 H new ATOM 85 N ILE A 9 0.192 0.191 4.985 1.00 0.00 N ATOM 86 CA ILE A 9 1.405 -0.137 5.725 1.00 0.00 C ATOM 87 C ILE A 9 1.387 -1.588 6.195 1.00 0.00 C ATOM 88 O ILE A 9 0.819 -1.906 7.239 1.00 0.00 O ATOM 89 CB ILE A 9 1.586 0.784 6.946 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.560 2.251 6.514 1.00 0.00 C ATOM 91 CG2 ILE A 9 2.887 0.460 7.665 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.864 2.728 5.915 1.00 0.00 C ATOM 0 H ILE A 9 -0.632 0.336 5.568 1.00 0.00 H new ATOM 0 HA ILE A 9 2.241 0.011 5.042 1.00 0.00 H new ATOM 0 HB ILE A 9 0.760 0.614 7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.762 2.393 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.318 2.871 7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.001 1.119 8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.868 -0.577 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.725 0.605 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.772 3.777 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.663 2.619 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.098 2.133 5.032 1.00 0.00 H new ATOM 104 N ALA A 10 2.013 -2.464 5.416 1.00 0.00 N ATOM 105 CA ALA A 10 2.071 -3.881 5.753 1.00 0.00 C ATOM 106 C ALA A 10 3.345 -4.208 6.526 1.00 0.00 C ATOM 107 O ALA A 10 4.434 -3.758 6.168 1.00 0.00 O ATOM 108 CB ALA A 10 1.985 -4.728 4.492 1.00 0.00 C ATOM 0 H ALA A 10 2.487 -2.217 4.547 1.00 0.00 H new ATOM 0 HA ALA A 10 1.219 -4.113 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.030 -5.784 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.045 -4.523 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.818 -4.485 3.833 1.00 0.00 H new ATOM 114 N CYS A 11 3.201 -4.993 7.588 1.00 0.00 N ATOM 115 CA CYS A 11 4.340 -5.380 8.414 1.00 0.00 C ATOM 116 C CYS A 11 4.586 -6.883 8.331 1.00 0.00 C ATOM 117 O CYS A 11 3.773 -7.682 8.795 1.00 0.00 O ATOM 118 CB CYS A 11 4.106 -4.968 9.867 1.00 0.00 C ATOM 119 SG CYS A 11 5.617 -4.846 10.853 1.00 0.00 S ATOM 0 H CYS A 11 2.307 -5.374 7.898 1.00 0.00 H new ATOM 0 HA CYS A 11 5.223 -4.865 8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.596 -4.005 9.883 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.437 -5.690 10.335 1.00 0.00 H new ATOM 0 HG CYS A 11 6.642 -4.727 10.063 1.00 0.00 H new ATOM 125 N VAL A 12 5.713 -7.260 7.736 1.00 0.00 N ATOM 126 CA VAL A 12 6.067 -8.667 7.591 1.00 0.00 C ATOM 127 C VAL A 12 7.101 -9.084 8.631 1.00 0.00 C ATOM 128 O VAL A 12 7.985 -8.306 8.987 1.00 0.00 O ATOM 129 CB VAL A 12 6.619 -8.966 6.185 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.116 -10.313 5.687 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.241 -7.856 5.218 1.00 0.00 C ATOM 0 H VAL A 12 6.397 -6.611 7.347 1.00 0.00 H new ATOM 0 HA VAL A 12 5.152 -9.240 7.743 1.00 0.00 H new ATOM 0 HB VAL A 12 7.706 -9.012 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.517 -10.506 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.443 -11.098 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.027 -10.301 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.639 -8.084 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.155 -7.776 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.657 -6.911 5.568 1.00 0.00 H new ATOM 141 N ALA A 13 6.983 -10.317 9.114 1.00 0.00 N ATOM 142 CA ALA A 13 7.910 -10.838 10.112 1.00 0.00 C ATOM 143 C ALA A 13 9.115 -11.499 9.449 1.00 0.00 C ATOM 144 O ALA A 13 10.217 -11.489 9.996 1.00 0.00 O ATOM 145 CB ALA A 13 7.200 -11.825 11.025 1.00 0.00 C ATOM 0 H ALA A 13 6.255 -10.973 8.831 1.00 0.00 H new ATOM 0 HA ALA A 13 8.271 -10.001 10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.903 -12.206 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.376 -11.323 11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.811 -12.654 10.433 1.00 0.00 H new ATOM 151 N ASN A 14 8.896 -12.072 8.270 1.00 0.00 N ATOM 152 CA ASN A 14 9.964 -12.739 7.535 1.00 0.00 C ATOM 153 C ASN A 14 10.966 -11.724 6.992 1.00 0.00 C ATOM 154 O ASN A 14 10.727 -11.090 5.964 1.00 0.00 O ATOM 155 CB ASN A 14 9.381 -13.563 6.385 1.00 0.00 C ATOM 156 CG ASN A 14 9.338 -15.046 6.702 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.003 -15.515 7.624 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.552 -15.792 5.932 1.00 0.00 N ATOM 0 H ASN A 14 7.989 -12.088 7.804 1.00 0.00 H new ATOM 0 HA ASN A 14 10.485 -13.405 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.373 -13.212 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.978 -13.403 5.487 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.483 -16.796 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.018 -15.360 5.178 1.00 0.00 H new ATOM 165 N ASP A 15 12.087 -11.578 7.689 1.00 0.00 N ATOM 166 CA ASP A 15 13.127 -10.642 7.276 1.00 0.00 C ATOM 167 C ASP A 15 13.607 -10.954 5.862 1.00 0.00 C ATOM 168 O ASP A 15 14.222 -10.111 5.206 1.00 0.00 O ATOM 169 CB ASP A 15 14.304 -10.693 8.251 1.00 0.00 C ATOM 170 CG ASP A 15 14.963 -12.058 8.293 1.00 0.00 C ATOM 171 OD1 ASP A 15 14.237 -13.063 8.440 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.204 -12.121 8.178 1.00 0.00 O ATOM 0 H ASP A 15 12.299 -12.095 8.542 1.00 0.00 H new ATOM 0 HA ASP A 15 12.703 -9.638 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.043 -9.945 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.956 -10.430 9.250 1.00 0.00 H new ATOM 177 N ASP A 16 13.324 -12.166 5.400 1.00 0.00 N ATOM 178 CA ASP A 16 13.727 -12.588 4.063 1.00 0.00 C ATOM 179 C ASP A 16 12.954 -11.821 2.994 1.00 0.00 C ATOM 180 O ASP A 16 13.474 -11.549 1.912 1.00 0.00 O ATOM 181 CB ASP A 16 13.504 -14.091 3.891 1.00 0.00 C ATOM 182 CG ASP A 16 14.801 -14.848 3.681 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.342 -14.798 2.556 1.00 0.00 O ATOM 184 OD2 ASP A 16 15.273 -15.491 4.641 1.00 0.00 O ATOM 0 H ASP A 16 12.817 -12.874 5.931 1.00 0.00 H new ATOM 0 HA ASP A 16 14.788 -12.370 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.996 -14.483 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.845 -14.263 3.040 1.00 0.00 H new ATOM 189 N VAL A 17 11.709 -11.475 3.305 1.00 0.00 N ATOM 190 CA VAL A 17 10.864 -10.739 2.373 1.00 0.00 C ATOM 191 C VAL A 17 11.524 -9.432 1.948 1.00 0.00 C ATOM 192 O VAL A 17 11.180 -8.858 0.914 1.00 0.00 O ATOM 193 CB VAL A 17 9.486 -10.429 2.988 1.00 0.00 C ATOM 194 CG1 VAL A 17 8.789 -9.326 2.208 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.629 -11.686 3.032 1.00 0.00 C ATOM 0 H VAL A 17 11.263 -11.693 4.196 1.00 0.00 H new ATOM 0 HA VAL A 17 10.728 -11.376 1.499 1.00 0.00 H new ATOM 0 HB VAL A 17 9.633 -10.080 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.817 -9.121 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.398 -8.422 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.651 -9.643 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.659 -11.450 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.488 -12.066 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.125 -12.444 3.638 1.00 0.00 H new ATOM 205 N PHE A 18 12.474 -8.966 2.752 1.00 0.00 N ATOM 206 CA PHE A 18 13.182 -7.725 2.459 1.00 0.00 C ATOM 207 C PHE A 18 14.362 -7.979 1.527 1.00 0.00 C ATOM 208 O PHE A 18 15.400 -7.327 1.630 1.00 0.00 O ATOM 209 CB PHE A 18 13.673 -7.075 3.755 1.00 0.00 C ATOM 210 CG PHE A 18 12.560 -6.650 4.671 1.00 0.00 C ATOM 211 CD1 PHE A 18 11.875 -7.585 5.431 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.201 -5.316 4.772 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.851 -7.196 6.273 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.177 -4.921 5.614 1.00 0.00 C ATOM 215 CZ PHE A 18 10.502 -5.863 6.366 1.00 0.00 C ATOM 0 H PHE A 18 12.771 -9.429 3.611 1.00 0.00 H new ATOM 0 HA PHE A 18 12.487 -7.049 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.319 -7.777 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.282 -6.205 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.145 -8.629 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.726 -4.576 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.323 -7.934 6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.906 -3.878 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.703 -5.558 7.025 1.00 0.00 H new ATOM 262 N GLU A 22 14.127 -13.355 -4.105 1.00 0.00 N ATOM 263 CA GLU A 22 12.977 -14.130 -4.554 1.00 0.00 C ATOM 264 C GLU A 22 11.810 -13.984 -3.580 1.00 0.00 C ATOM 265 O GLU A 22 10.728 -13.530 -3.953 1.00 0.00 O ATOM 266 CB GLU A 22 13.353 -15.606 -4.699 1.00 0.00 C ATOM 267 CG GLU A 22 13.235 -16.126 -6.121 1.00 0.00 C ATOM 268 CD GLU A 22 14.438 -16.947 -6.543 1.00 0.00 C ATOM 269 OE1 GLU A 22 14.741 -17.950 -5.864 1.00 0.00 O ATOM 270 OE2 GLU A 22 15.076 -16.586 -7.554 1.00 0.00 O ATOM 0 HA GLU A 22 12.668 -13.745 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.377 -15.747 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.712 -16.201 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.335 -16.735 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.117 -15.284 -6.803 1.00 0.00 H new ATOM 277 N THR A 23 12.039 -14.373 -2.330 1.00 0.00 N ATOM 278 CA THR A 23 11.008 -14.288 -1.303 1.00 0.00 C ATOM 279 C THR A 23 10.133 -13.056 -1.502 1.00 0.00 C ATOM 280 O THR A 23 8.915 -13.114 -1.334 1.00 0.00 O ATOM 281 CB THR A 23 11.623 -14.244 0.109 1.00 0.00 C ATOM 282 OG1 THR A 23 12.648 -15.238 0.228 1.00 0.00 O ATOM 283 CG2 THR A 23 10.559 -14.475 1.171 1.00 0.00 C ATOM 0 H THR A 23 12.929 -14.750 -2.004 1.00 0.00 H new ATOM 0 HA THR A 23 10.395 -15.184 -1.397 1.00 0.00 H new ATOM 0 HB THR A 23 12.056 -13.256 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.142 -15.100 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.018 -14.439 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.796 -13.700 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.099 -15.452 1.019 1.00 0.00 H new ATOM 291 N ARG A 24 10.761 -11.942 -1.862 1.00 0.00 N ATOM 292 CA ARG A 24 10.040 -10.695 -2.084 1.00 0.00 C ATOM 293 C ARG A 24 8.976 -10.868 -3.164 1.00 0.00 C ATOM 294 O ARG A 24 7.792 -10.628 -2.926 1.00 0.00 O ATOM 295 CB ARG A 24 11.011 -9.582 -2.484 1.00 0.00 C ATOM 296 CG ARG A 24 10.353 -8.220 -2.624 1.00 0.00 C ATOM 297 CD ARG A 24 11.385 -7.114 -2.767 1.00 0.00 C ATOM 298 NE ARG A 24 11.600 -6.743 -4.163 1.00 0.00 N ATOM 299 CZ ARG A 24 12.196 -5.616 -4.541 1.00 0.00 C ATOM 300 NH1 ARG A 24 12.635 -4.757 -3.632 1.00 0.00 N ATOM 301 NH2 ARG A 24 12.355 -5.350 -5.831 1.00 0.00 N ATOM 0 H ARG A 24 11.769 -11.878 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 24 9.547 -10.419 -1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.804 -9.518 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.484 -9.847 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.696 -8.220 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.728 -8.025 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.058 -6.239 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.329 -7.440 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 24 11.275 -7.383 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.516 -4.960 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.092 -3.893 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.020 -6.010 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.812 -4.485 -6.121 1.00 0.00 H new ATOM 315 N ALA A 25 9.406 -11.284 -4.350 1.00 0.00 N ATOM 316 CA ALA A 25 8.490 -11.490 -5.465 1.00 0.00 C ATOM 317 C ALA A 25 7.142 -12.013 -4.979 1.00 0.00 C ATOM 318 O ALA A 25 6.097 -11.436 -5.279 1.00 0.00 O ATOM 319 CB ALA A 25 9.098 -12.452 -6.477 1.00 0.00 C ATOM 0 H ALA A 25 10.383 -11.485 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 25 8.324 -10.528 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.403 -12.597 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.033 -12.039 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.294 -13.410 -5.996 1.00 0.00 H new ATOM 325 N LYS A 26 7.173 -13.108 -4.229 1.00 0.00 N ATOM 326 CA LYS A 26 5.954 -13.709 -3.700 1.00 0.00 C ATOM 327 C LYS A 26 5.070 -12.655 -3.041 1.00 0.00 C ATOM 328 O LYS A 26 3.902 -12.500 -3.399 1.00 0.00 O ATOM 329 CB LYS A 26 6.299 -14.806 -2.690 1.00 0.00 C ATOM 330 CG LYS A 26 7.057 -15.974 -3.296 1.00 0.00 C ATOM 331 CD LYS A 26 8.471 -16.066 -2.747 1.00 0.00 C ATOM 332 CE LYS A 26 9.355 -16.938 -3.626 1.00 0.00 C ATOM 333 NZ LYS A 26 10.515 -17.488 -2.873 1.00 0.00 N ATOM 0 H LYS A 26 8.030 -13.599 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 26 5.405 -14.150 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.896 -14.374 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.378 -15.176 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.524 -16.902 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.093 -15.863 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.900 -15.067 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.444 -16.475 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.765 -17.759 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.716 -16.353 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.996 -18.206 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.180 -16.720 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.181 -17.923 -1.989 1.00 0.00 H new ATOM 347 N PHE A 27 5.634 -11.933 -2.079 1.00 0.00 N ATOM 348 CA PHE A 27 4.896 -10.894 -1.371 1.00 0.00 C ATOM 349 C PHE A 27 4.259 -9.915 -2.353 1.00 0.00 C ATOM 350 O PHE A 27 3.041 -9.738 -2.365 1.00 0.00 O ATOM 351 CB PHE A 27 5.825 -10.142 -0.414 1.00 0.00 C ATOM 352 CG PHE A 27 5.216 -8.890 0.151 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.192 -7.721 -0.592 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.671 -8.882 1.424 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.633 -6.566 -0.075 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.111 -7.732 1.945 1.00 0.00 C ATOM 357 CZ PHE A 27 4.093 -6.572 1.195 1.00 0.00 C ATOM 0 H PHE A 27 6.600 -12.048 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 27 4.103 -11.373 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.102 -10.804 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.744 -9.884 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.614 -7.711 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.684 -9.785 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.619 -5.661 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.687 -7.740 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.657 -5.671 1.602 1.00 0.00 H new ATOM 367 N GLU A 28 5.091 -9.281 -3.172 1.00 0.00 N ATOM 368 CA GLU A 28 4.608 -8.320 -4.156 1.00 0.00 C ATOM 369 C GLU A 28 3.380 -8.857 -4.885 1.00 0.00 C ATOM 370 O GLU A 28 2.295 -8.283 -4.800 1.00 0.00 O ATOM 371 CB GLU A 28 5.711 -7.991 -5.166 1.00 0.00 C ATOM 372 CG GLU A 28 6.461 -6.708 -4.851 1.00 0.00 C ATOM 373 CD GLU A 28 7.439 -6.321 -5.943 1.00 0.00 C ATOM 374 OE1 GLU A 28 7.195 -6.685 -7.113 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.448 -5.657 -5.629 1.00 0.00 O ATOM 0 H GLU A 28 6.102 -9.415 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 28 4.326 -7.409 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.420 -8.818 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.270 -7.910 -6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.745 -5.899 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.000 -6.828 -3.911 1.00 0.00 H new ATOM 382 N SER A 29 3.561 -9.961 -5.603 1.00 0.00 N ATOM 383 CA SER A 29 2.470 -10.574 -6.351 1.00 0.00 C ATOM 384 C SER A 29 1.154 -10.455 -5.588 1.00 0.00 C ATOM 385 O SER A 29 0.107 -10.173 -6.172 1.00 0.00 O ATOM 386 CB SER A 29 2.778 -12.046 -6.630 1.00 0.00 C ATOM 387 OG SER A 29 1.785 -12.627 -7.459 1.00 0.00 O ATOM 0 H SER A 29 4.453 -10.449 -5.682 1.00 0.00 H new ATOM 0 HA SER A 29 2.371 -10.045 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.753 -12.132 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.836 -12.593 -5.689 1.00 0.00 H new ATOM 0 HG SER A 29 2.006 -13.568 -7.624 1.00 0.00 H new ATOM 393 N LEU A 30 1.215 -10.670 -4.278 1.00 0.00 N ATOM 394 CA LEU A 30 0.029 -10.587 -3.433 1.00 0.00 C ATOM 395 C LEU A 30 -0.753 -9.308 -3.716 1.00 0.00 C ATOM 396 O LEU A 30 -1.973 -9.338 -3.883 1.00 0.00 O ATOM 397 CB LEU A 30 0.426 -10.638 -1.956 1.00 0.00 C ATOM 398 CG LEU A 30 1.335 -11.799 -1.546 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.786 -11.638 -0.103 1.00 0.00 C ATOM 400 CD2 LEU A 30 0.620 -13.128 -1.738 1.00 0.00 C ATOM 0 H LEU A 30 2.073 -10.903 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.610 -11.440 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.926 -9.704 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.483 -10.685 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 30 2.218 -11.789 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.431 -12.472 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.336 -10.703 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.914 -11.623 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.281 -13.943 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.280 -13.149 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.346 -13.246 -2.787 1.00 0.00 H new ATOM 412 N PHE A 31 -0.043 -8.186 -3.771 1.00 0.00 N ATOM 413 CA PHE A 31 -0.670 -6.897 -4.036 1.00 0.00 C ATOM 414 C PHE A 31 -0.673 -6.589 -5.531 1.00 0.00 C ATOM 415 O PHE A 31 -1.704 -6.230 -6.100 1.00 0.00 O ATOM 416 CB PHE A 31 0.059 -5.786 -3.277 1.00 0.00 C ATOM 417 CG PHE A 31 0.324 -6.118 -1.836 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.389 -6.930 -1.483 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.493 -5.618 -0.835 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.635 -7.238 -0.158 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.252 -5.922 0.492 1.00 0.00 C ATOM 422 CZ PHE A 31 0.814 -6.734 0.830 1.00 0.00 C ATOM 0 H PHE A 31 0.967 -8.144 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.703 -6.947 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.007 -5.579 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.534 -4.873 -3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.035 -7.327 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.328 -4.984 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.469 -7.872 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.896 -5.526 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.004 -6.974 1.866 1.00 0.00 H new ATOM 432 N ARG A 32 0.489 -6.733 -6.161 1.00 0.00 N ATOM 433 CA ARG A 32 0.621 -6.470 -7.588 1.00 0.00 C ATOM 434 C ARG A 32 -0.496 -7.150 -8.372 1.00 0.00 C ATOM 435 O ARG A 32 -1.116 -6.542 -9.245 1.00 0.00 O ATOM 436 CB ARG A 32 1.981 -6.956 -8.093 1.00 0.00 C ATOM 437 CG ARG A 32 2.647 -5.996 -9.066 1.00 0.00 C ATOM 438 CD ARG A 32 1.907 -5.946 -10.393 1.00 0.00 C ATOM 439 NE ARG A 32 2.678 -5.256 -11.424 1.00 0.00 N ATOM 440 CZ ARG A 32 3.761 -5.768 -11.998 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.198 -6.969 -11.644 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.409 -5.081 -12.930 1.00 0.00 N ATOM 0 H ARG A 32 1.352 -7.030 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 32 0.546 -5.394 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.641 -7.112 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.854 -7.923 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.680 -4.998 -8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.679 -6.305 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.687 -6.961 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.951 -5.441 -10.256 1.00 0.00 H new ATOM 0 HE ARG A 32 2.368 -4.330 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.702 -7.502 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.030 -7.360 -12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.076 -4.158 -13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.240 -5.476 -13.369 1.00 0.00 H new ATOM 456 N THR A 33 -0.750 -8.416 -8.056 1.00 0.00 N ATOM 457 CA THR A 33 -1.792 -9.179 -8.731 1.00 0.00 C ATOM 458 C THR A 33 -3.062 -8.351 -8.895 1.00 0.00 C ATOM 459 O THR A 33 -3.850 -8.581 -9.812 1.00 0.00 O ATOM 460 CB THR A 33 -2.130 -10.470 -7.963 1.00 0.00 C ATOM 461 OG1 THR A 33 -3.012 -11.287 -8.741 1.00 0.00 O ATOM 462 CG2 THR A 33 -2.777 -10.149 -6.624 1.00 0.00 C ATOM 0 H THR A 33 -0.247 -8.935 -7.336 1.00 0.00 H new ATOM 0 HA THR A 33 -1.404 -9.442 -9.715 1.00 0.00 H new ATOM 0 HB THR A 33 -1.202 -11.011 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.221 -12.107 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.007 -11.076 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.091 -9.552 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.697 -9.588 -6.790 1.00 0.00 H new ATOM 470 N TYR A 34 -3.253 -7.388 -8.000 1.00 0.00 N ATOM 471 CA TYR A 34 -4.429 -6.527 -8.045 1.00 0.00 C ATOM 472 C TYR A 34 -4.200 -5.341 -8.978 1.00 0.00 C ATOM 473 O TYR A 34 -4.795 -5.257 -10.052 1.00 0.00 O ATOM 474 CB TYR A 34 -4.775 -6.027 -6.642 1.00 0.00 C ATOM 475 CG TYR A 34 -4.696 -7.101 -5.581 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.258 -8.355 -5.789 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.057 -6.863 -4.369 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.189 -9.339 -4.821 1.00 0.00 C ATOM 479 CE2 TYR A 34 -3.981 -7.841 -3.397 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.549 -9.077 -3.627 1.00 0.00 C ATOM 481 OH TYR A 34 -4.476 -10.055 -2.662 1.00 0.00 O ATOM 0 H TYR A 34 -2.609 -7.184 -7.235 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.263 -7.114 -8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.097 -5.215 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.782 -5.611 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.757 -8.564 -6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.612 -5.896 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.633 -10.307 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.480 -7.639 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.539 -10.300 -2.515 1.00 0.00 H new ATOM 491 N ASP A 35 -3.333 -4.426 -8.558 1.00 0.00 N ATOM 492 CA ASP A 35 -3.023 -3.244 -9.354 1.00 0.00 C ATOM 493 C ASP A 35 -1.628 -3.350 -9.963 1.00 0.00 C ATOM 494 O ASP A 35 -0.727 -3.950 -9.377 1.00 0.00 O ATOM 495 CB ASP A 35 -3.122 -1.983 -8.495 1.00 0.00 C ATOM 496 CG ASP A 35 -4.097 -0.970 -9.064 1.00 0.00 C ATOM 497 OD1 ASP A 35 -4.966 -1.369 -9.866 1.00 0.00 O ATOM 498 OD2 ASP A 35 -3.987 0.223 -8.710 1.00 0.00 O ATOM 0 H ASP A 35 -2.832 -4.480 -7.671 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.751 -3.181 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.434 -2.257 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.136 -1.526 -8.410 1.00 0.00 H new ATOM 503 N LYS A 36 -1.457 -2.766 -11.144 1.00 0.00 N ATOM 504 CA LYS A 36 -0.174 -2.793 -11.834 1.00 0.00 C ATOM 505 C LYS A 36 0.648 -1.551 -11.505 1.00 0.00 C ATOM 506 O LYS A 36 1.875 -1.560 -11.612 1.00 0.00 O ATOM 507 CB LYS A 36 -0.386 -2.891 -13.346 1.00 0.00 C ATOM 508 CG LYS A 36 -0.980 -4.215 -13.793 1.00 0.00 C ATOM 509 CD LYS A 36 -0.316 -4.726 -15.061 1.00 0.00 C ATOM 510 CE LYS A 36 -1.345 -5.130 -16.105 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.876 -4.836 -17.488 1.00 0.00 N ATOM 0 H LYS A 36 -2.193 -2.267 -11.644 1.00 0.00 H new ATOM 0 HA LYS A 36 0.374 -3.671 -11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.043 -2.082 -13.665 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.570 -2.743 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.865 -4.953 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.050 -4.095 -13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.334 -3.952 -15.470 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.317 -5.581 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.558 -6.195 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.279 -4.601 -15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.605 -5.126 -18.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.697 -3.816 -17.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.002 -5.361 -17.676 1.00 0.00 H new ATOM 525 N ASP A 37 -0.035 -0.485 -11.101 1.00 0.00 N ATOM 526 CA ASP A 37 0.633 0.764 -10.753 1.00 0.00 C ATOM 527 C ASP A 37 0.836 0.870 -9.245 1.00 0.00 C ATOM 528 O ASP A 37 0.867 1.966 -8.687 1.00 0.00 O ATOM 529 CB ASP A 37 -0.180 1.958 -11.256 1.00 0.00 C ATOM 530 CG ASP A 37 0.618 2.853 -12.183 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.810 3.090 -11.897 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.051 3.317 -13.195 1.00 0.00 O ATOM 0 H ASP A 37 -1.050 -0.461 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 37 1.611 0.771 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.066 1.596 -11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.529 2.541 -10.404 1.00 0.00 H new ATOM 537 N THR A 38 0.973 -0.280 -8.590 1.00 0.00 N ATOM 538 CA THR A 38 1.172 -0.317 -7.146 1.00 0.00 C ATOM 539 C THR A 38 2.647 -0.179 -6.790 1.00 0.00 C ATOM 540 O THR A 38 3.479 -0.975 -7.227 1.00 0.00 O ATOM 541 CB THR A 38 0.627 -1.624 -6.539 1.00 0.00 C ATOM 542 OG1 THR A 38 0.604 -2.653 -7.533 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.772 -1.419 -5.980 1.00 0.00 C ATOM 0 H THR A 38 0.950 -1.197 -9.037 1.00 0.00 H new ATOM 0 HA THR A 38 0.622 0.526 -6.728 1.00 0.00 H new ATOM 0 HB THR A 38 1.286 -1.923 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.311 -2.765 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.136 -2.355 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.745 -0.656 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.440 -1.099 -6.780 1.00 0.00 H new ATOM 551 N THR A 39 2.966 0.836 -5.993 1.00 0.00 N ATOM 552 CA THR A 39 4.343 1.078 -5.579 1.00 0.00 C ATOM 553 C THR A 39 4.655 0.366 -4.266 1.00 0.00 C ATOM 554 O THR A 39 3.866 0.409 -3.323 1.00 0.00 O ATOM 555 CB THR A 39 4.622 2.583 -5.412 1.00 0.00 C ATOM 556 OG1 THR A 39 3.758 3.135 -4.412 1.00 0.00 O ATOM 557 CG2 THR A 39 4.420 3.320 -6.727 1.00 0.00 C ATOM 0 H THR A 39 2.290 1.503 -5.621 1.00 0.00 H new ATOM 0 HA THR A 39 4.985 0.682 -6.366 1.00 0.00 H new ATOM 0 HB THR A 39 5.660 2.705 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.944 4.092 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.623 4.381 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.101 2.918 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.391 3.189 -7.063 1.00 0.00 H new ATOM 565 N PHE A 40 5.811 -0.287 -4.213 1.00 0.00 N ATOM 566 CA PHE A 40 6.227 -1.008 -3.017 1.00 0.00 C ATOM 567 C PHE A 40 7.466 -0.366 -2.398 1.00 0.00 C ATOM 568 O PHE A 40 8.475 -0.164 -3.074 1.00 0.00 O ATOM 569 CB PHE A 40 6.512 -2.474 -3.352 1.00 0.00 C ATOM 570 CG PHE A 40 5.328 -3.198 -3.927 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.952 -3.001 -5.246 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.591 -4.076 -3.149 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.864 -3.665 -5.777 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.501 -4.743 -3.674 1.00 0.00 C ATOM 575 CZ PHE A 40 3.138 -4.539 -4.991 1.00 0.00 C ATOM 0 H PHE A 40 6.476 -0.331 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 40 5.414 -0.960 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.337 -2.522 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.839 -2.988 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.516 -2.320 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.872 -4.241 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.581 -3.501 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.934 -5.423 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.289 -5.062 -5.405 1.00 0.00 H new ATOM 585 N GLN A 41 7.380 -0.048 -1.110 1.00 0.00 N ATOM 586 CA GLN A 41 8.493 0.571 -0.401 1.00 0.00 C ATOM 587 C GLN A 41 8.869 -0.239 0.835 1.00 0.00 C ATOM 588 O GLN A 41 8.155 -0.228 1.838 1.00 0.00 O ATOM 589 CB GLN A 41 8.135 2.003 0.002 1.00 0.00 C ATOM 590 CG GLN A 41 8.919 3.062 -0.755 1.00 0.00 C ATOM 591 CD GLN A 41 8.604 4.468 -0.285 1.00 0.00 C ATOM 592 OE1 GLN A 41 8.373 4.702 0.901 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.593 5.416 -1.216 1.00 0.00 N ATOM 0 H GLN A 41 6.552 -0.209 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 41 9.351 0.594 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.070 2.163 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.312 2.126 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.986 2.874 -0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.698 2.981 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.790 5.178 -2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.387 6.381 -0.959 1.00 0.00 H new ATOM 602 N TYR A 42 9.995 -0.939 0.756 1.00 0.00 N ATOM 603 CA TYR A 42 10.465 -1.757 1.869 1.00 0.00 C ATOM 604 C TYR A 42 11.393 -0.958 2.778 1.00 0.00 C ATOM 605 O TYR A 42 12.324 -0.301 2.313 1.00 0.00 O ATOM 606 CB TYR A 42 11.190 -2.999 1.345 1.00 0.00 C ATOM 607 CG TYR A 42 10.283 -3.971 0.625 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.843 -3.714 -0.667 1.00 0.00 C ATOM 609 CD2 TYR A 42 9.866 -5.147 1.238 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.015 -4.599 -1.329 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.039 -6.037 0.584 1.00 0.00 C ATOM 612 CZ TYR A 42 8.615 -5.760 -0.700 1.00 0.00 C ATOM 613 OH TYR A 42 7.789 -6.645 -1.353 1.00 0.00 O ATOM 0 H TYR A 42 10.599 -0.957 -0.066 1.00 0.00 H new ATOM 0 HA TYR A 42 9.597 -2.069 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.985 -2.687 0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.667 -3.511 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.154 -2.806 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.195 -5.368 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.682 -4.383 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.725 -6.946 1.075 1.00 0.00 H new ATOM 0 HH TYR A 42 6.883 -6.578 -0.986 1.00 0.00 H new ATOM 623 N PHE A 43 11.132 -1.021 4.080 1.00 0.00 N ATOM 624 CA PHE A 43 11.942 -0.303 5.057 1.00 0.00 C ATOM 625 C PHE A 43 12.716 -1.277 5.941 1.00 0.00 C ATOM 626 O PHE A 43 12.187 -1.798 6.923 1.00 0.00 O ATOM 627 CB PHE A 43 11.058 0.596 5.923 1.00 0.00 C ATOM 628 CG PHE A 43 10.121 1.460 5.128 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.544 2.069 3.958 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.818 1.663 5.550 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.684 2.865 3.224 1.00 0.00 C ATOM 632 CE2 PHE A 43 7.953 2.457 4.821 1.00 0.00 C ATOM 633 CZ PHE A 43 8.387 3.058 3.656 1.00 0.00 C ATOM 0 H PHE A 43 10.366 -1.562 4.482 1.00 0.00 H new ATOM 0 HA PHE A 43 12.656 0.316 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.477 -0.026 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.693 1.233 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.557 1.920 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.473 1.195 6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.026 3.335 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.939 2.607 5.162 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.713 3.678 3.084 1.00 0.00 H new ATOM 643 N LYS A 44 13.974 -1.518 5.586 1.00 0.00 N ATOM 644 CA LYS A 44 14.823 -2.427 6.346 1.00 0.00 C ATOM 645 C LYS A 44 15.146 -1.850 7.720 1.00 0.00 C ATOM 646 O LYS A 44 15.735 -2.525 8.564 1.00 0.00 O ATOM 647 CB LYS A 44 16.119 -2.706 5.580 1.00 0.00 C ATOM 648 CG LYS A 44 16.321 -4.172 5.240 1.00 0.00 C ATOM 649 CD LYS A 44 16.478 -5.018 6.492 1.00 0.00 C ATOM 650 CE LYS A 44 15.797 -6.370 6.340 1.00 0.00 C ATOM 651 NZ LYS A 44 16.727 -7.496 6.628 1.00 0.00 N ATOM 0 H LYS A 44 14.428 -1.096 4.776 1.00 0.00 H new ATOM 0 HA LYS A 44 14.280 -3.362 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.119 -2.125 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.964 -2.360 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.471 -4.532 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.205 -4.282 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.537 -5.165 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.053 -4.489 7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.942 -6.424 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.410 -6.469 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.225 -8.399 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.530 -7.460 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.077 -7.416 7.604 1.00 0.00 H new ATOM 665 N SER A 45 14.756 -0.599 7.938 1.00 0.00 N ATOM 666 CA SER A 45 15.005 0.069 9.210 1.00 0.00 C ATOM 667 C SER A 45 13.858 -0.173 10.185 1.00 0.00 C ATOM 668 O SER A 45 14.077 -0.401 11.376 1.00 0.00 O ATOM 669 CB SER A 45 15.196 1.571 8.993 1.00 0.00 C ATOM 670 OG SER A 45 16.364 1.832 8.233 1.00 0.00 O ATOM 0 H SER A 45 14.266 -0.027 7.250 1.00 0.00 H new ATOM 0 HA SER A 45 15.917 -0.348 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.326 1.981 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.265 2.075 9.957 1.00 0.00 H new ATOM 0 HG SER A 45 16.463 2.799 8.107 1.00 0.00 H new ATOM 676 N PHE A 46 12.632 -0.122 9.672 1.00 0.00 N ATOM 677 CA PHE A 46 11.449 -0.335 10.497 1.00 0.00 C ATOM 678 C PHE A 46 10.745 -1.633 10.113 1.00 0.00 C ATOM 679 O PHE A 46 9.566 -1.825 10.413 1.00 0.00 O ATOM 680 CB PHE A 46 10.484 0.844 10.355 1.00 0.00 C ATOM 681 CG PHE A 46 11.047 2.144 10.854 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.262 2.347 12.207 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.360 3.162 9.969 1.00 0.00 C ATOM 684 CE1 PHE A 46 11.781 3.541 12.670 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.880 4.359 10.425 1.00 0.00 C ATOM 686 CZ PHE A 46 12.089 4.550 11.777 1.00 0.00 C ATOM 0 H PHE A 46 12.433 0.065 8.689 1.00 0.00 H new ATOM 0 HA PHE A 46 11.769 -0.410 11.536 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.211 0.955 9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.568 0.621 10.901 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.021 1.562 12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.196 3.019 8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.946 3.686 13.728 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.123 5.144 9.725 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.492 5.486 12.135 1.00 0.00 H new ATOM 696 N LYS A 47 11.476 -2.522 9.449 1.00 0.00 N ATOM 697 CA LYS A 47 10.924 -3.803 9.024 1.00 0.00 C ATOM 698 C LYS A 47 9.467 -3.653 8.596 1.00 0.00 C ATOM 699 O LYS A 47 8.654 -4.554 8.802 1.00 0.00 O ATOM 700 CB LYS A 47 11.031 -4.828 10.154 1.00 0.00 C ATOM 701 CG LYS A 47 12.444 -5.335 10.384 1.00 0.00 C ATOM 702 CD LYS A 47 12.737 -6.569 9.548 1.00 0.00 C ATOM 703 CE LYS A 47 13.561 -7.585 10.323 1.00 0.00 C ATOM 704 NZ LYS A 47 12.704 -8.625 10.959 1.00 0.00 N ATOM 0 H LYS A 47 12.453 -2.379 9.193 1.00 0.00 H new ATOM 0 HA LYS A 47 11.502 -4.153 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.660 -4.380 11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.383 -5.675 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.158 -4.549 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.580 -5.569 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.800 -7.026 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.272 -6.279 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.274 -8.063 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.141 -7.073 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.303 -9.299 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.041 -8.172 11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.170 -9.131 10.224 1.00 0.00 H new ATOM 718 N ARG A 48 9.145 -2.509 7.999 1.00 0.00 N ATOM 719 CA ARG A 48 7.787 -2.242 7.542 1.00 0.00 C ATOM 720 C ARG A 48 7.716 -2.246 6.018 1.00 0.00 C ATOM 721 O ARG A 48 8.741 -2.217 5.338 1.00 0.00 O ATOM 722 CB ARG A 48 7.300 -0.897 8.084 1.00 0.00 C ATOM 723 CG ARG A 48 6.448 -1.018 9.337 1.00 0.00 C ATOM 724 CD ARG A 48 5.749 0.293 9.664 1.00 0.00 C ATOM 725 NE ARG A 48 6.688 1.313 10.124 1.00 0.00 N ATOM 726 CZ ARG A 48 6.420 2.614 10.118 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.248 3.052 9.678 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.326 3.481 10.553 1.00 0.00 N ATOM 0 H ARG A 48 9.806 -1.753 7.821 1.00 0.00 H new ATOM 0 HA ARG A 48 7.140 -3.034 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.163 -0.268 8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.723 -0.390 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.705 -1.803 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.075 -1.317 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.225 0.655 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.996 0.120 10.433 1.00 0.00 H new ATOM 0 HE ARG A 48 7.599 1.010 10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.549 2.389 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.046 4.052 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.229 3.148 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.120 4.480 10.548 1.00 0.00 H new ATOM 742 N VAL A 49 6.497 -2.280 5.488 1.00 0.00 N ATOM 743 CA VAL A 49 6.292 -2.286 4.044 1.00 0.00 C ATOM 744 C VAL A 49 5.197 -1.305 3.642 1.00 0.00 C ATOM 745 O VAL A 49 4.022 -1.509 3.948 1.00 0.00 O ATOM 746 CB VAL A 49 5.919 -3.692 3.537 1.00 0.00 C ATOM 747 CG1 VAL A 49 5.927 -3.730 2.016 1.00 0.00 C ATOM 748 CG2 VAL A 49 6.868 -4.734 4.109 1.00 0.00 C ATOM 0 H VAL A 49 5.637 -2.304 6.036 1.00 0.00 H new ATOM 0 HA VAL A 49 7.234 -1.982 3.588 1.00 0.00 H new ATOM 0 HB VAL A 49 4.911 -3.927 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.661 -4.731 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.204 -3.012 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.922 -3.475 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.590 -5.721 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.888 -4.506 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.807 -4.723 5.197 1.00 0.00 H new ATOM 758 N ARG A 50 5.590 -0.239 2.952 1.00 0.00 N ATOM 759 CA ARG A 50 4.641 0.775 2.507 1.00 0.00 C ATOM 760 C ARG A 50 4.241 0.544 1.052 1.00 0.00 C ATOM 761 O ARG A 50 5.060 0.686 0.143 1.00 0.00 O ATOM 762 CB ARG A 50 5.244 2.172 2.665 1.00 0.00 C ATOM 763 CG ARG A 50 4.240 3.221 3.114 1.00 0.00 C ATOM 764 CD ARG A 50 4.387 4.509 2.318 1.00 0.00 C ATOM 765 NE ARG A 50 4.479 5.680 3.187 1.00 0.00 N ATOM 766 CZ ARG A 50 3.477 6.118 3.941 1.00 0.00 C ATOM 767 NH1 ARG A 50 2.312 5.484 3.933 1.00 0.00 N ATOM 768 NH2 ARG A 50 3.638 7.190 4.704 1.00 0.00 N ATOM 0 H ARG A 50 6.558 -0.055 2.689 1.00 0.00 H new ATOM 0 HA ARG A 50 3.748 0.699 3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.058 2.127 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.679 2.481 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.229 2.832 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.380 3.429 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.278 4.450 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.535 4.621 1.648 1.00 0.00 H new ATOM 0 HE ARG A 50 5.362 6.190 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.185 4.659 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.544 5.822 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.533 7.680 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.867 7.525 5.282 1.00 0.00 H new ATOM 782 N ILE A 51 2.978 0.187 0.841 1.00 0.00 N ATOM 783 CA ILE A 51 2.471 -0.062 -0.502 1.00 0.00 C ATOM 784 C ILE A 51 1.440 0.988 -0.905 1.00 0.00 C ATOM 785 O ILE A 51 0.449 1.196 -0.208 1.00 0.00 O ATOM 786 CB ILE A 51 1.833 -1.459 -0.612 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.796 -2.527 -0.087 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.444 -1.753 -2.053 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.280 -3.260 1.131 1.00 0.00 C ATOM 0 H ILE A 51 2.288 0.064 1.582 1.00 0.00 H new ATOM 0 HA ILE A 51 3.325 -0.007 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 51 0.930 -1.478 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.992 -3.249 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.748 -2.057 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.995 -2.744 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.726 -1.008 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.332 -1.718 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.014 -4.001 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.111 -2.549 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.343 -3.759 0.885 1.00 0.00 H new ATOM 801 N ASN A 52 1.683 1.643 -2.035 1.00 0.00 N ATOM 802 CA ASN A 52 0.774 2.671 -2.532 1.00 0.00 C ATOM 803 C ASN A 52 -0.004 2.169 -3.744 1.00 0.00 C ATOM 804 O ASN A 52 0.566 1.575 -4.659 1.00 0.00 O ATOM 805 CB ASN A 52 1.554 3.935 -2.899 1.00 0.00 C ATOM 806 CG ASN A 52 0.988 5.177 -2.239 1.00 0.00 C ATOM 807 OD1 ASN A 52 -0.228 5.336 -2.131 1.00 0.00 O ATOM 808 ND2 ASN A 52 1.869 6.064 -1.793 1.00 0.00 N ATOM 0 H ASN A 52 2.500 1.481 -2.624 1.00 0.00 H new ATOM 0 HA ASN A 52 0.064 2.908 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.596 3.814 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.542 4.065 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.547 6.919 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.868 5.891 -1.904 1.00 0.00 H new ATOM 815 N PHE A 53 -1.310 2.414 -3.744 1.00 0.00 N ATOM 816 CA PHE A 53 -2.168 1.987 -4.843 1.00 0.00 C ATOM 817 C PHE A 53 -2.663 3.188 -5.644 1.00 0.00 C ATOM 818 O PHE A 53 -2.339 4.333 -5.331 1.00 0.00 O ATOM 819 CB PHE A 53 -3.361 1.191 -4.308 1.00 0.00 C ATOM 820 CG PHE A 53 -2.963 -0.015 -3.505 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.244 0.125 -2.329 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.311 -1.289 -3.926 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.877 -0.983 -1.587 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.946 -2.400 -3.188 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.228 -2.247 -2.018 1.00 0.00 C ATOM 0 H PHE A 53 -1.797 2.906 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.580 1.349 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.975 1.844 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.980 0.872 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.967 1.111 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.873 -1.415 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.317 -0.860 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.222 -3.388 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.942 -3.114 -1.441 1.00 0.00 H new ATOM 835 N SER A 54 -3.450 2.916 -6.681 1.00 0.00 N ATOM 836 CA SER A 54 -3.987 3.973 -7.530 1.00 0.00 C ATOM 837 C SER A 54 -5.443 4.265 -7.180 1.00 0.00 C ATOM 838 O SER A 54 -5.974 5.321 -7.519 1.00 0.00 O ATOM 839 CB SER A 54 -3.874 3.578 -9.004 1.00 0.00 C ATOM 840 OG SER A 54 -4.608 4.467 -9.828 1.00 0.00 O ATOM 0 H SER A 54 -3.729 1.973 -6.953 1.00 0.00 H new ATOM 0 HA SER A 54 -3.402 4.877 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.826 3.580 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.243 2.562 -9.141 1.00 0.00 H new ATOM 0 HG SER A 54 -4.518 4.194 -10.765 1.00 0.00 H new ATOM 846 N ASN A 55 -6.082 3.319 -6.499 1.00 0.00 N ATOM 847 CA ASN A 55 -7.477 3.474 -6.101 1.00 0.00 C ATOM 848 C ASN A 55 -7.704 2.939 -4.691 1.00 0.00 C ATOM 849 O ASN A 55 -7.110 1.944 -4.275 1.00 0.00 O ATOM 850 CB ASN A 55 -8.393 2.746 -7.089 1.00 0.00 C ATOM 851 CG ASN A 55 -7.983 1.302 -7.301 1.00 0.00 C ATOM 852 OD1 ASN A 55 -8.092 0.474 -6.396 1.00 0.00 O ATOM 853 ND2 ASN A 55 -7.507 0.993 -8.502 1.00 0.00 N ATOM 0 H ASN A 55 -5.657 2.438 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.716 4.538 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.419 2.779 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.380 3.269 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.214 0.037 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.434 1.712 -9.222 1.00 0.00 H new ATOM 860 N PRO A 56 -8.585 3.614 -3.938 1.00 0.00 N ATOM 861 CA PRO A 56 -8.912 3.225 -2.562 1.00 0.00 C ATOM 862 C PRO A 56 -9.706 1.925 -2.502 1.00 0.00 C ATOM 863 O PRO A 56 -10.091 1.470 -1.423 1.00 0.00 O ATOM 864 CB PRO A 56 -9.759 4.394 -2.055 1.00 0.00 C ATOM 865 CG PRO A 56 -10.352 4.993 -3.283 1.00 0.00 C ATOM 866 CD PRO A 56 -9.329 4.809 -4.369 1.00 0.00 C ATOM 0 HA PRO A 56 -8.018 3.040 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.533 4.053 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.150 5.119 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.290 4.502 -3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.576 6.049 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.798 4.661 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.677 5.678 -4.458 1.00 0.00 H new ATOM 874 N LEU A 57 -9.950 1.331 -3.664 1.00 0.00 N ATOM 875 CA LEU A 57 -10.699 0.081 -3.743 1.00 0.00 C ATOM 876 C LEU A 57 -9.794 -1.114 -3.467 1.00 0.00 C ATOM 877 O LEU A 57 -9.940 -1.794 -2.452 1.00 0.00 O ATOM 878 CB LEU A 57 -11.346 -0.062 -5.122 1.00 0.00 C ATOM 879 CG LEU A 57 -12.560 0.831 -5.390 1.00 0.00 C ATOM 880 CD1 LEU A 57 -12.621 1.222 -6.858 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.842 0.129 -4.969 1.00 0.00 C ATOM 0 H LEU A 57 -9.640 1.694 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.480 0.105 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.591 0.149 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.648 -1.101 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.456 1.740 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.490 1.857 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.716 1.766 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.701 0.324 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.694 0.779 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.952 -0.797 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.799 -0.099 -3.904 1.00 0.00 H new ATOM 893 N SER A 58 -8.859 -1.365 -4.377 1.00 0.00 N ATOM 894 CA SER A 58 -7.931 -2.480 -4.233 1.00 0.00 C ATOM 895 C SER A 58 -7.353 -2.528 -2.822 1.00 0.00 C ATOM 896 O SER A 58 -7.308 -3.584 -2.193 1.00 0.00 O ATOM 897 CB SER A 58 -6.798 -2.365 -5.256 1.00 0.00 C ATOM 898 OG SER A 58 -6.583 -3.599 -5.920 1.00 0.00 O ATOM 0 H SER A 58 -8.724 -0.811 -5.223 1.00 0.00 H new ATOM 0 HA SER A 58 -8.482 -3.403 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.040 -1.593 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.882 -2.054 -4.755 1.00 0.00 H new ATOM 0 HG SER A 58 -5.856 -3.499 -6.569 1.00 0.00 H new ATOM 904 N ALA A 59 -6.912 -1.374 -2.331 1.00 0.00 N ATOM 905 CA ALA A 59 -6.340 -1.282 -0.994 1.00 0.00 C ATOM 906 C ALA A 59 -7.101 -2.162 -0.009 1.00 0.00 C ATOM 907 O ALA A 59 -6.528 -2.669 0.955 1.00 0.00 O ATOM 908 CB ALA A 59 -6.337 0.164 -0.520 1.00 0.00 C ATOM 0 H ALA A 59 -6.940 -0.490 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.312 -1.640 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.907 0.218 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.742 0.770 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.359 0.541 -0.496 1.00 0.00 H new ATOM 914 N ALA A 60 -8.395 -2.337 -0.256 1.00 0.00 N ATOM 915 CA ALA A 60 -9.234 -3.158 0.608 1.00 0.00 C ATOM 916 C ALA A 60 -9.109 -4.635 0.253 1.00 0.00 C ATOM 917 O ALA A 60 -8.636 -5.439 1.058 1.00 0.00 O ATOM 918 CB ALA A 60 -10.685 -2.711 0.513 1.00 0.00 C ATOM 0 H ALA A 60 -8.885 -1.921 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.892 -3.029 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.301 -3.333 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.766 -1.669 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.030 -2.810 -0.516 1.00 0.00 H new ATOM 924 N ASP A 61 -9.535 -4.987 -0.954 1.00 0.00 N ATOM 925 CA ASP A 61 -9.471 -6.369 -1.415 1.00 0.00 C ATOM 926 C ASP A 61 -8.128 -6.999 -1.058 1.00 0.00 C ATOM 927 O ASP A 61 -8.010 -8.220 -0.963 1.00 0.00 O ATOM 928 CB ASP A 61 -9.693 -6.435 -2.927 1.00 0.00 C ATOM 929 CG ASP A 61 -10.960 -7.183 -3.295 1.00 0.00 C ATOM 930 OD1 ASP A 61 -11.057 -8.383 -2.963 1.00 0.00 O ATOM 931 OD2 ASP A 61 -11.854 -6.568 -3.914 1.00 0.00 O ATOM 0 H ASP A 61 -9.929 -4.334 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.260 -6.930 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.743 -5.423 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.838 -6.922 -3.396 1.00 0.00 H new ATOM 936 N ALA A 62 -7.118 -6.157 -0.862 1.00 0.00 N ATOM 937 CA ALA A 62 -5.785 -6.631 -0.515 1.00 0.00 C ATOM 938 C ALA A 62 -5.710 -7.027 0.956 1.00 0.00 C ATOM 939 O ALA A 62 -5.235 -8.112 1.294 1.00 0.00 O ATOM 940 CB ALA A 62 -4.746 -5.566 -0.831 1.00 0.00 C ATOM 0 H ALA A 62 -7.199 -5.143 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.574 -7.516 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.755 -5.935 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.775 -5.334 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.963 -4.665 -0.258 1.00 0.00 H new ATOM 946 N ARG A 63 -6.179 -6.140 1.827 1.00 0.00 N ATOM 947 CA ARG A 63 -6.163 -6.396 3.263 1.00 0.00 C ATOM 948 C ARG A 63 -6.875 -7.706 3.589 1.00 0.00 C ATOM 949 O ARG A 63 -6.310 -8.586 4.243 1.00 0.00 O ATOM 950 CB ARG A 63 -6.825 -5.241 4.015 1.00 0.00 C ATOM 951 CG ARG A 63 -6.819 -5.417 5.526 1.00 0.00 C ATOM 952 CD ARG A 63 -7.721 -4.399 6.208 1.00 0.00 C ATOM 953 NE ARG A 63 -9.056 -4.933 6.461 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.941 -4.350 7.262 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.634 -3.220 7.884 1.00 0.00 N ATOM 956 NH2 ARG A 63 -11.136 -4.898 7.441 1.00 0.00 N ATOM 0 H ARG A 63 -6.575 -5.238 1.564 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.124 -6.479 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.312 -4.313 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.855 -5.139 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.150 -6.425 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.801 -5.313 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.270 -4.089 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.799 -3.509 5.584 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.324 -5.801 5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.716 -2.796 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.316 -2.775 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.375 -5.767 6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.815 -4.450 8.056 1.00 0.00 H new ATOM 970 N LEU A 64 -8.115 -7.828 3.132 1.00 0.00 N ATOM 971 CA LEU A 64 -8.905 -9.030 3.376 1.00 0.00 C ATOM 972 C LEU A 64 -8.194 -10.267 2.839 1.00 0.00 C ATOM 973 O LEU A 64 -8.221 -11.331 3.459 1.00 0.00 O ATOM 974 CB LEU A 64 -10.285 -8.899 2.727 1.00 0.00 C ATOM 975 CG LEU A 64 -10.464 -9.606 1.383 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.745 -11.086 1.592 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.584 -8.956 0.585 1.00 0.00 C ATOM 0 H LEU A 64 -8.596 -7.110 2.590 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.026 -9.142 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.030 -9.288 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.501 -7.839 2.589 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.538 -9.510 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.870 -11.573 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.910 -11.543 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.657 -11.204 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.698 -9.471 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.516 -9.021 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.342 -7.909 0.405 1.00 0.00 H new ATOM 989 N ARG A 65 -7.555 -10.122 1.682 1.00 0.00 N ATOM 990 CA ARG A 65 -6.836 -11.227 1.061 1.00 0.00 C ATOM 991 C ARG A 65 -5.500 -11.467 1.760 1.00 0.00 C ATOM 992 O ARG A 65 -4.883 -12.520 1.598 1.00 0.00 O ATOM 993 CB ARG A 65 -6.603 -10.943 -0.423 1.00 0.00 C ATOM 994 CG ARG A 65 -7.743 -11.401 -1.317 1.00 0.00 C ATOM 995 CD ARG A 65 -7.234 -12.225 -2.490 1.00 0.00 C ATOM 996 NE ARG A 65 -8.326 -12.840 -3.241 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.191 -13.324 -4.471 1.00 0.00 C ATOM 998 NH1 ARG A 65 -7.016 -13.267 -5.084 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.230 -13.868 -5.089 1.00 0.00 N ATOM 0 H ARG A 65 -7.521 -9.249 1.156 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.446 -12.125 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.453 -9.872 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.684 -11.437 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.449 -11.993 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.286 -10.533 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.651 -11.588 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.563 -13.002 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.242 -12.901 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.214 -12.851 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.915 -13.639 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.135 -13.915 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.125 -14.239 -6.033 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.059 -10.482 2.536 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.797 -10.585 3.259 1.00 0.00 C ATOM 1015 C LEU A 66 -4.007 -10.365 4.754 1.00 0.00 C ATOM 1016 O LEU A 66 -5.053 -10.712 5.302 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.793 -9.565 2.718 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.699 -9.458 1.196 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.179 -8.088 0.788 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -1.806 -10.557 0.637 1.00 0.00 C ATOM 0 H LEU A 66 -5.557 -9.604 2.680 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.401 -11.590 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.052 -8.584 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.806 -9.816 3.106 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.699 -9.583 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.119 -8.031 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.857 -7.317 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.188 -7.933 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.751 -10.465 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.806 -10.464 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.221 -11.531 0.898 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.004 -9.786 5.408 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.079 -9.518 6.840 1.00 0.00 C ATOM 1034 C HIS A 67 -2.682 -10.752 7.646 1.00 0.00 C ATOM 1035 O HIS A 67 -1.809 -11.518 7.238 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.492 -9.076 7.223 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.531 -8.152 8.401 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.399 -7.735 9.070 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.575 -7.561 9.028 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.745 -6.930 10.057 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.060 -6.807 10.054 1.00 0.00 N ATOM 0 H HIS A 67 -2.131 -9.494 4.969 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.379 -8.715 7.072 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.954 -8.582 6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.093 -9.958 7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.619 -7.663 8.770 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.068 -6.453 10.750 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.604 -6.244 10.707 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.330 -10.938 8.791 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.046 -12.077 9.654 1.00 0.00 C ATOM 1051 C LYS A 68 -2.700 -13.313 8.829 1.00 0.00 C ATOM 1052 O LYS A 68 -1.912 -14.157 9.256 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.248 -12.374 10.554 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.474 -11.327 11.631 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.930 -10.899 11.696 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.806 -11.988 12.297 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.206 -11.668 13.695 1.00 0.00 N ATOM 0 H LYS A 68 -4.056 -10.314 9.142 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.187 -11.824 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.144 -12.448 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.106 -13.345 11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.168 -11.726 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.847 -10.458 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.017 -9.991 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.284 -10.658 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.698 -12.116 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.269 -12.936 12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.802 -12.434 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.356 -11.571 14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.740 -10.776 13.708 1.00 0.00 H new ATOM 1071 N THR A 69 -3.291 -13.412 7.642 1.00 0.00 N ATOM 1072 CA THR A 69 -3.045 -14.542 6.757 1.00 0.00 C ATOM 1073 C THR A 69 -1.612 -15.043 6.891 1.00 0.00 C ATOM 1074 O THR A 69 -0.662 -14.268 6.790 1.00 0.00 O ATOM 1075 CB THR A 69 -3.311 -14.172 5.286 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.445 -13.106 4.883 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.761 -13.757 5.086 1.00 0.00 C ATOM 0 H THR A 69 -3.944 -12.722 7.272 1.00 0.00 H new ATOM 0 HA THR A 69 -3.733 -15.333 7.055 1.00 0.00 H new ATOM 0 HB THR A 69 -3.113 -15.051 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.104 -12.644 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.925 -13.500 4.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.417 -14.582 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.981 -12.891 5.711 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.463 -16.345 7.119 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.144 -16.948 7.266 1.00 0.00 C ATOM 1087 C GLU A 70 0.631 -16.890 5.954 1.00 0.00 C ATOM 1088 O GLU A 70 0.495 -17.767 5.100 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.273 -18.400 7.732 1.00 0.00 C ATOM 1090 CG GLU A 70 0.100 -18.607 9.191 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.283 -19.983 9.701 1.00 0.00 C ATOM 1092 OE1 GLU A 70 0.024 -20.977 9.010 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -0.888 -20.065 10.791 1.00 0.00 O ATOM 0 H GLU A 70 -2.239 -17.001 7.206 1.00 0.00 H new ATOM 0 HA GLU A 70 0.406 -16.380 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.300 -18.732 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.363 -19.030 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.174 -18.465 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.392 -17.848 9.799 1.00 0.00 H new ATOM 1100 N PHE A 71 1.444 -15.851 5.799 1.00 0.00 N ATOM 1101 CA PHE A 71 2.240 -15.676 4.589 1.00 0.00 C ATOM 1102 C PHE A 71 3.552 -16.449 4.686 1.00 0.00 C ATOM 1103 O PHE A 71 4.430 -16.108 5.479 1.00 0.00 O ATOM 1104 CB PHE A 71 2.526 -14.191 4.351 1.00 0.00 C ATOM 1105 CG PHE A 71 3.664 -13.946 3.403 1.00 0.00 C ATOM 1106 CD1 PHE A 71 4.963 -13.837 3.873 1.00 0.00 C ATOM 1107 CD2 PHE A 71 3.435 -13.822 2.042 1.00 0.00 C ATOM 1108 CE1 PHE A 71 6.013 -13.609 3.002 1.00 0.00 C ATOM 1109 CE2 PHE A 71 4.481 -13.595 1.166 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.771 -13.489 1.648 1.00 0.00 C ATOM 0 H PHE A 71 1.569 -15.117 6.496 1.00 0.00 H new ATOM 0 HA PHE A 71 1.668 -16.068 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.628 -13.714 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.749 -13.714 5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.158 -13.931 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.428 -13.904 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.021 -13.525 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.289 -13.501 0.107 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.590 -13.312 0.966 1.00 0.00 H new ATOM 1120 N LEU A 72 3.677 -17.492 3.872 1.00 0.00 N ATOM 1121 CA LEU A 72 4.882 -18.315 3.865 1.00 0.00 C ATOM 1122 C LEU A 72 5.144 -18.910 5.245 1.00 0.00 C ATOM 1123 O LEU A 72 6.282 -19.218 5.593 1.00 0.00 O ATOM 1124 CB LEU A 72 6.087 -17.487 3.416 1.00 0.00 C ATOM 1125 CG LEU A 72 6.534 -17.682 1.967 1.00 0.00 C ATOM 1126 CD1 LEU A 72 5.812 -16.707 1.050 1.00 0.00 C ATOM 1127 CD2 LEU A 72 8.042 -17.513 1.847 1.00 0.00 C ATOM 0 H LEU A 72 2.960 -17.787 3.209 1.00 0.00 H new ATOM 0 HA LEU A 72 4.729 -19.133 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.853 -16.433 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.927 -17.722 4.069 1.00 0.00 H new ATOM 0 HG LEU A 72 6.276 -18.696 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.143 -16.861 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.737 -16.875 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.038 -15.685 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.343 -17.655 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.323 -16.511 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.542 -18.251 2.474 1.00 0.00 H new ATOM 1139 N GLY A 73 4.080 -19.068 6.027 1.00 0.00 N ATOM 1140 CA GLY A 73 4.215 -19.628 7.359 1.00 0.00 C ATOM 1141 C GLY A 73 4.473 -18.566 8.410 1.00 0.00 C ATOM 1142 O GLY A 73 4.717 -18.880 9.575 1.00 0.00 O ATOM 0 H GLY A 73 3.127 -18.818 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.307 -20.174 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.033 -20.348 7.366 1.00 0.00 H new ATOM 1146 N LYS A 74 4.419 -17.304 7.999 1.00 0.00 N ATOM 1147 CA LYS A 74 4.648 -16.190 8.912 1.00 0.00 C ATOM 1148 C LYS A 74 3.490 -15.198 8.861 1.00 0.00 C ATOM 1149 O LYS A 74 3.257 -14.555 7.838 1.00 0.00 O ATOM 1150 CB LYS A 74 5.959 -15.480 8.564 1.00 0.00 C ATOM 1151 CG LYS A 74 7.197 -16.247 8.994 1.00 0.00 C ATOM 1152 CD LYS A 74 7.783 -15.685 10.278 1.00 0.00 C ATOM 1153 CE LYS A 74 8.111 -16.790 11.271 1.00 0.00 C ATOM 1154 NZ LYS A 74 7.118 -16.854 12.379 1.00 0.00 N ATOM 0 H LYS A 74 4.218 -17.026 7.038 1.00 0.00 H new ATOM 0 HA LYS A 74 4.716 -16.590 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.999 -15.316 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.967 -14.498 9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.944 -17.297 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.945 -16.205 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.686 -15.119 10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.076 -14.988 10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.138 -17.748 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.106 -16.623 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.377 -17.619 13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.110 -15.949 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.172 -17.039 11.987 1.00 0.00 H new ATOM 1168 N GLU A 75 2.771 -15.077 9.972 1.00 0.00 N ATOM 1169 CA GLU A 75 1.639 -14.162 10.052 1.00 0.00 C ATOM 1170 C GLU A 75 2.082 -12.725 9.796 1.00 0.00 C ATOM 1171 O GLU A 75 2.970 -12.208 10.472 1.00 0.00 O ATOM 1172 CB GLU A 75 0.969 -14.263 11.424 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.084 -13.194 11.668 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.429 -13.040 13.137 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.373 -12.428 13.873 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.500 -13.532 13.549 1.00 0.00 O ATOM 0 H GLU A 75 2.952 -15.601 10.828 1.00 0.00 H new ATOM 0 HA GLU A 75 0.921 -14.446 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.507 -15.245 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.733 -14.192 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.275 -12.240 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.987 -13.445 11.111 1.00 0.00 H new ATOM 1183 N MET A 76 1.457 -12.086 8.812 1.00 0.00 N ATOM 1184 CA MET A 76 1.786 -10.708 8.466 1.00 0.00 C ATOM 1185 C MET A 76 0.667 -9.759 8.886 1.00 0.00 C ATOM 1186 O MET A 76 -0.509 -10.122 8.862 1.00 0.00 O ATOM 1187 CB MET A 76 2.039 -10.583 6.962 1.00 0.00 C ATOM 1188 CG MET A 76 1.710 -9.209 6.403 1.00 0.00 C ATOM 1189 SD MET A 76 2.224 -9.017 4.684 1.00 0.00 S ATOM 1190 CE MET A 76 0.737 -9.528 3.827 1.00 0.00 C ATOM 0 H MET A 76 0.721 -12.500 8.241 1.00 0.00 H new ATOM 0 HA MET A 76 2.693 -10.432 9.004 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.086 -10.808 6.758 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.444 -11.331 6.438 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.636 -9.038 6.478 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.198 -8.447 7.011 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.988 -10.280 3.079 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.031 -9.949 4.543 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.285 -8.666 3.336 1.00 0.00 H new ATOM 1200 N LYS A 77 1.041 -8.543 9.269 1.00 0.00 N ATOM 1201 CA LYS A 77 0.069 -7.542 9.693 1.00 0.00 C ATOM 1202 C LYS A 77 -0.130 -6.485 8.612 1.00 0.00 C ATOM 1203 O LYS A 77 0.648 -6.401 7.660 1.00 0.00 O ATOM 1204 CB LYS A 77 0.526 -6.876 10.994 1.00 0.00 C ATOM 1205 CG LYS A 77 0.009 -7.566 12.244 1.00 0.00 C ATOM 1206 CD LYS A 77 -1.479 -7.326 12.438 1.00 0.00 C ATOM 1207 CE LYS A 77 -1.911 -7.627 13.865 1.00 0.00 C ATOM 1208 NZ LYS A 77 -3.380 -7.469 14.045 1.00 0.00 N ATOM 0 H LYS A 77 2.010 -8.227 9.295 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.882 -8.046 9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.616 -6.861 11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.193 -5.838 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.200 -8.637 12.175 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.554 -7.201 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.716 -6.290 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.043 -7.952 11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.621 -8.645 14.125 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.387 -6.961 14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.634 -7.683 15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.654 -6.491 13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.880 -8.123 13.409 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.174 -5.678 8.764 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.474 -4.625 7.801 1.00 0.00 C ATOM 1224 C LEU A 78 -2.219 -3.473 8.468 1.00 0.00 C ATOM 1225 O LEU A 78 -3.129 -3.688 9.267 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.308 -5.184 6.646 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.527 -5.636 5.412 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.038 -6.980 4.919 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.622 -4.590 4.309 1.00 0.00 C ATOM 0 H LEU A 78 -1.827 -5.733 9.545 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.530 -4.246 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.884 -6.032 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.024 -4.422 6.339 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.479 -5.749 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.470 -7.285 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.918 -7.725 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.093 -6.895 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.060 -4.928 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.667 -4.445 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.207 -3.647 4.665 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.824 -2.249 8.135 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.453 -1.062 8.701 1.00 0.00 C ATOM 1243 C TYR A 79 -2.745 -0.029 7.617 1.00 0.00 C ATOM 1244 O TYR A 79 -1.920 0.212 6.736 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.555 -0.448 9.778 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.423 -1.305 11.017 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.551 -2.386 11.047 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.170 -1.033 12.156 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.427 -3.172 12.176 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -2.051 -1.812 13.290 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.179 -2.881 13.296 1.00 0.00 C ATOM 1252 OH TYR A 79 -1.059 -3.660 14.423 1.00 0.00 O ATOM 0 H TYR A 79 -1.071 -2.053 7.476 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.398 -1.364 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.564 -0.276 9.358 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.955 0.526 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.040 -2.616 10.173 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.855 -0.198 12.155 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.255 -4.010 12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.638 -1.585 14.168 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.656 -3.319 15.121 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.925 0.577 7.690 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.328 1.584 6.715 1.00 0.00 C ATOM 1264 C PHE A 80 -3.469 2.839 6.842 1.00 0.00 C ATOM 1265 O PHE A 80 -3.568 3.574 7.824 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.804 1.942 6.900 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.727 1.160 6.009 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.548 1.158 4.635 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.773 0.426 6.546 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.396 0.441 3.813 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.624 -0.294 5.729 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.435 -0.287 4.361 1.00 0.00 C ATOM 0 H PHE A 80 -4.619 0.389 8.414 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.185 1.166 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.084 1.770 7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.939 3.006 6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.736 1.723 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.925 0.417 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.247 0.449 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.436 -0.861 6.160 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.098 -0.850 3.720 1.00 0.00 H new