USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.285) USER MOD Set 2.1: A 5 SER OG : rot -83:sc= 1.79 USER MOD Set 2.2: A 41 SER OG : rot 110:sc= 0.432 USER MOD Single : A 1 MET CE :methyl -172:sc= -7.55! (180deg=-8.31!) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.839 (180deg=0.333!) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.103 (180deg=-0.536) USER MOD Single : A 6 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -1.22 F(o=-2.3,f=-1.2) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= -3.96! (180deg=-6.82!) USER MOD Single : A 24 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.6!) USER MOD Single : A 28 SER OG : rot -141:sc= -0.686 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 61:sc= 1.14 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0763 K(o=0.076,f=-3.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -3.74! USER MOD Single : A 52 SER OG : rot -156:sc= -1.05 USER MOD Single : A 55 SER OG : rot 74:sc= 0.107 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -110:sc= -2.91 USER MOD Single : A 73 MET CE :methyl 150:sc= -7.6! (180deg=-9.85!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 101:sc= 0.242! USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -137:sc= -1.07 (180deg=-2.44!) USER MOD Single : A 86 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.1!) USER MOD Single : A 88 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.5!) USER MOD Single : A 91 THR OG1 : rot -149:sc= 1.35 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -1.23 (180deg=-1.69!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 30:sc= -4.25! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.314 4.350 13.258 1.00 0.00 N ATOM 2 CA MET A 1 5.334 5.173 12.015 1.00 0.00 C ATOM 3 C MET A 1 5.152 6.642 12.324 1.00 0.00 C ATOM 4 O MET A 1 4.994 7.041 13.478 1.00 0.00 O ATOM 5 CB MET A 1 4.211 4.755 11.045 1.00 0.00 C ATOM 6 CG MET A 1 3.103 3.963 11.662 1.00 0.00 C ATOM 7 SD MET A 1 2.387 4.773 13.095 1.00 0.00 S ATOM 8 CE MET A 1 1.089 3.618 13.460 1.00 0.00 C ATOM 0 H1 MET A 1 5.542 3.363 13.024 1.00 0.00 H new ATOM 0 H2 MET A 1 6.018 4.718 13.930 1.00 0.00 H new ATOM 0 H3 MET A 1 4.368 4.394 13.688 1.00 0.00 H new ATOM 0 HA MET A 1 6.307 5.006 11.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.788 5.653 10.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.649 4.169 10.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.324 3.795 10.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.481 2.984 11.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.445 4.028 14.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.501 3.436 12.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.523 2.680 13.806 1.00 0.00 H new ATOM 20 N ASP A 2 5.117 7.431 11.266 1.00 0.00 N ATOM 21 CA ASP A 2 4.887 8.848 11.384 1.00 0.00 C ATOM 22 C ASP A 2 3.400 9.086 11.219 1.00 0.00 C ATOM 23 O ASP A 2 2.609 8.148 11.311 1.00 0.00 O ATOM 24 CB ASP A 2 5.681 9.616 10.328 1.00 0.00 C ATOM 25 CG ASP A 2 6.768 10.481 10.936 1.00 0.00 C ATOM 26 OD1 ASP A 2 6.569 10.981 12.063 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.818 10.660 10.284 1.00 0.00 O ATOM 0 H ASP A 2 5.247 7.104 10.309 1.00 0.00 H new ATOM 0 HA ASP A 2 5.221 9.206 12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.131 8.909 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.001 10.244 9.752 1.00 0.00 H new ATOM 32 N ILE A 3 3.016 10.320 10.989 1.00 0.00 N ATOM 33 CA ILE A 3 1.614 10.651 10.828 1.00 0.00 C ATOM 34 C ILE A 3 1.082 10.253 9.464 1.00 0.00 C ATOM 35 O ILE A 3 0.040 9.604 9.360 1.00 0.00 O ATOM 36 CB ILE A 3 1.399 12.149 11.068 1.00 0.00 C ATOM 37 CG1 ILE A 3 1.268 12.440 12.571 1.00 0.00 C ATOM 38 CG2 ILE A 3 0.186 12.660 10.306 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.786 11.328 13.467 1.00 0.00 C ATOM 0 H ILE A 3 3.652 11.113 10.909 1.00 0.00 H new ATOM 0 HA ILE A 3 1.055 10.079 11.569 1.00 0.00 H new ATOM 0 HB ILE A 3 2.272 12.681 10.691 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.809 13.358 12.801 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.219 12.621 12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.059 13.726 10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.332 12.497 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.704 12.124 10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.657 11.612 14.511 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.229 10.412 13.269 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.844 11.161 13.265 1.00 0.00 H new ATOM 51 N LYS A 4 1.781 10.660 8.420 1.00 0.00 N ATOM 52 CA LYS A 4 1.339 10.350 7.067 1.00 0.00 C ATOM 53 C LYS A 4 1.155 8.846 6.885 1.00 0.00 C ATOM 54 O LYS A 4 0.205 8.416 6.247 1.00 0.00 O ATOM 55 CB LYS A 4 2.275 10.922 5.988 1.00 0.00 C ATOM 56 CG LYS A 4 3.716 11.096 6.421 1.00 0.00 C ATOM 57 CD LYS A 4 4.293 9.794 6.926 1.00 0.00 C ATOM 58 CE LYS A 4 5.739 9.943 7.313 1.00 0.00 C ATOM 59 NZ LYS A 4 6.558 10.513 6.208 1.00 0.00 N ATOM 0 H LYS A 4 2.645 11.199 8.477 1.00 0.00 H new ATOM 0 HA LYS A 4 0.374 10.839 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.249 10.264 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.888 11.889 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.310 11.459 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.775 11.852 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.719 9.450 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.199 9.030 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.815 10.587 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.140 8.970 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.564 10.321 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.277 10.076 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.405 11.540 6.157 1.00 0.00 H new ATOM 73 N SER A 5 2.058 8.057 7.464 1.00 0.00 N ATOM 74 CA SER A 5 1.989 6.600 7.385 1.00 0.00 C ATOM 75 C SER A 5 1.102 6.021 8.485 1.00 0.00 C ATOM 76 O SER A 5 0.729 4.849 8.441 1.00 0.00 O ATOM 77 CB SER A 5 3.394 6.005 7.489 1.00 0.00 C ATOM 78 OG SER A 5 4.256 6.560 6.509 1.00 0.00 O ATOM 0 H SER A 5 2.853 8.407 7.998 1.00 0.00 H new ATOM 0 HA SER A 5 1.549 6.338 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.799 6.193 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.345 4.923 7.364 1.00 0.00 H new ATOM 0 HG SER A 5 4.133 6.087 5.659 1.00 0.00 H new ATOM 84 N GLN A 6 0.811 6.833 9.497 1.00 0.00 N ATOM 85 CA GLN A 6 0.019 6.389 10.641 1.00 0.00 C ATOM 86 C GLN A 6 -1.390 5.959 10.303 1.00 0.00 C ATOM 87 O GLN A 6 -1.799 4.862 10.654 1.00 0.00 O ATOM 88 CB GLN A 6 -0.053 7.512 11.667 1.00 0.00 C ATOM 89 CG GLN A 6 0.376 7.092 13.047 1.00 0.00 C ATOM 90 CD GLN A 6 -0.244 7.951 14.123 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.453 8.545 14.946 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.567 8.020 14.119 1.00 0.00 N ATOM 0 H GLN A 6 1.113 7.806 9.549 1.00 0.00 H new ATOM 0 HA GLN A 6 0.528 5.507 11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.576 8.338 11.335 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.075 7.888 11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.098 6.051 13.211 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.462 7.148 13.121 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.102 7.510 13.416 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.050 8.583 14.818 1.00 0.00 H new ATOM 101 N THR A 7 -2.144 6.830 9.676 1.00 0.00 N ATOM 102 CA THR A 7 -3.520 6.512 9.364 1.00 0.00 C ATOM 103 C THR A 7 -3.601 5.513 8.239 1.00 0.00 C ATOM 104 O THR A 7 -4.569 4.765 8.135 1.00 0.00 O ATOM 105 CB THR A 7 -4.328 7.762 9.050 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.509 8.917 9.067 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.446 7.964 10.045 1.00 0.00 C ATOM 0 H THR A 7 -1.835 7.754 9.374 1.00 0.00 H new ATOM 0 HA THR A 7 -3.961 6.057 10.251 1.00 0.00 H new ATOM 0 HB THR A 7 -4.747 7.617 8.054 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.052 9.706 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.002 8.866 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.116 7.105 10.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.028 8.067 11.046 1.00 0.00 H new ATOM 115 N LEU A 8 -2.566 5.469 7.421 1.00 0.00 N ATOM 116 CA LEU A 8 -2.535 4.510 6.341 1.00 0.00 C ATOM 117 C LEU A 8 -2.286 3.146 6.932 1.00 0.00 C ATOM 118 O LEU A 8 -2.939 2.167 6.572 1.00 0.00 O ATOM 119 CB LEU A 8 -1.455 4.835 5.308 1.00 0.00 C ATOM 120 CG LEU A 8 -0.847 6.224 5.411 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.248 6.406 4.373 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.930 7.281 5.265 1.00 0.00 C ATOM 0 H LEU A 8 -1.749 6.077 7.484 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.491 4.542 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.656 4.100 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.882 4.718 4.312 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.392 6.339 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.671 7.406 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.031 5.665 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.171 6.277 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.483 8.272 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.414 7.174 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.670 7.155 6.055 1.00 0.00 H new ATOM 134 N TYR A 9 -1.357 3.097 7.876 1.00 0.00 N ATOM 135 CA TYR A 9 -1.057 1.862 8.546 1.00 0.00 C ATOM 136 C TYR A 9 -2.213 1.517 9.466 1.00 0.00 C ATOM 137 O TYR A 9 -2.792 0.437 9.384 1.00 0.00 O ATOM 138 CB TYR A 9 0.245 1.996 9.299 1.00 0.00 C ATOM 139 CG TYR A 9 0.394 1.048 10.446 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.208 -0.205 10.459 1.00 0.00 C ATOM 141 CD2 TYR A 9 1.149 1.422 11.517 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.041 -1.049 11.543 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.325 0.607 12.595 1.00 0.00 C ATOM 144 CZ TYR A 9 0.729 -0.636 12.613 1.00 0.00 C ATOM 145 OH TYR A 9 0.904 -1.468 13.696 1.00 0.00 O ATOM 0 H TYR A 9 -0.807 3.898 8.186 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.935 1.051 7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.070 1.840 8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.332 3.016 9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.809 -0.521 9.619 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.622 2.393 11.511 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.509 -2.022 11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.928 0.933 13.430 1.00 0.00 H new ATOM 0 HH TYR A 9 0.863 -2.402 13.401 1.00 0.00 H new ATOM 155 N LEU A 10 -2.564 2.459 10.326 1.00 0.00 N ATOM 156 CA LEU A 10 -3.680 2.263 11.234 1.00 0.00 C ATOM 157 C LEU A 10 -4.893 1.799 10.448 1.00 0.00 C ATOM 158 O LEU A 10 -5.681 0.984 10.924 1.00 0.00 O ATOM 159 CB LEU A 10 -4.006 3.551 11.992 1.00 0.00 C ATOM 160 CG LEU A 10 -3.256 3.726 13.310 1.00 0.00 C ATOM 161 CD1 LEU A 10 -3.650 5.034 13.979 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.527 2.547 14.234 1.00 0.00 C ATOM 0 H LEU A 10 -2.095 3.361 10.414 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.405 1.504 11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.783 4.401 11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.077 3.576 12.194 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.187 3.760 13.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.105 5.141 14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.406 5.867 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.721 5.032 14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.985 2.686 15.170 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.596 2.484 14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.194 1.626 13.756 1.00 0.00 H new ATOM 174 N ASN A 11 -5.017 2.299 9.221 1.00 0.00 N ATOM 175 CA ASN A 11 -6.115 1.907 8.357 1.00 0.00 C ATOM 176 C ASN A 11 -5.880 0.496 7.841 1.00 0.00 C ATOM 177 O ASN A 11 -6.823 -0.254 7.604 1.00 0.00 O ATOM 178 CB ASN A 11 -6.266 2.870 7.177 1.00 0.00 C ATOM 179 CG ASN A 11 -7.171 4.045 7.496 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.069 4.559 8.715 1.00 0.00 O flip ATOM 181 ND2 ASN A 11 -7.953 4.487 6.653 1.00 0.00 N flip ATOM 0 H ASN A 11 -4.372 2.973 8.809 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.035 1.939 8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.283 3.241 6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.667 2.329 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.999 4.061 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.554 5.279 6.881 1.00 0.00 H new ATOM 188 N LEU A 12 -4.607 0.137 7.679 1.00 0.00 N ATOM 189 CA LEU A 12 -4.247 -1.190 7.206 1.00 0.00 C ATOM 190 C LEU A 12 -4.794 -2.245 8.151 1.00 0.00 C ATOM 191 O LEU A 12 -5.454 -3.193 7.730 1.00 0.00 O ATOM 192 CB LEU A 12 -2.727 -1.332 7.065 1.00 0.00 C ATOM 193 CG LEU A 12 -2.161 -0.903 5.709 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.733 -0.401 5.859 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.220 -2.057 4.719 1.00 0.00 C ATOM 0 H LEU A 12 -3.813 0.748 7.869 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.689 -1.334 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.248 -0.741 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.456 -2.373 7.242 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.772 -0.086 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.349 -0.101 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.717 0.454 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.109 -1.196 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.814 -1.735 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.633 -2.893 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.256 -2.371 4.587 1.00 0.00 H new ATOM 207 N SER A 13 -4.537 -2.065 9.436 1.00 0.00 N ATOM 208 CA SER A 13 -5.025 -2.996 10.437 1.00 0.00 C ATOM 209 C SER A 13 -6.542 -2.980 10.474 1.00 0.00 C ATOM 210 O SER A 13 -7.190 -4.026 10.505 1.00 0.00 O ATOM 211 CB SER A 13 -4.463 -2.641 11.813 1.00 0.00 C ATOM 212 OG SER A 13 -4.922 -3.545 12.802 1.00 0.00 O ATOM 0 H SER A 13 -3.995 -1.285 9.809 1.00 0.00 H new ATOM 0 HA SER A 13 -4.690 -3.998 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.374 -2.657 11.779 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.759 -1.626 12.079 1.00 0.00 H new ATOM 0 HG SER A 13 -4.546 -3.296 13.672 1.00 0.00 H new ATOM 218 N GLU A 14 -7.099 -1.782 10.463 1.00 0.00 N ATOM 219 CA GLU A 14 -8.542 -1.614 10.491 1.00 0.00 C ATOM 220 C GLU A 14 -9.177 -2.157 9.220 1.00 0.00 C ATOM 221 O GLU A 14 -10.303 -2.654 9.235 1.00 0.00 O ATOM 222 CB GLU A 14 -8.919 -0.146 10.675 1.00 0.00 C ATOM 223 CG GLU A 14 -8.145 0.550 11.782 1.00 0.00 C ATOM 224 CD GLU A 14 -8.987 0.795 13.018 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.021 0.113 13.179 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.613 1.671 13.826 1.00 0.00 O ATOM 0 H GLU A 14 -6.573 -0.909 10.435 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.923 -2.180 11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.750 0.384 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.985 -0.078 10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.279 -0.056 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.765 1.502 11.411 1.00 0.00 H new ATOM 233 N ALA A 15 -8.436 -2.074 8.126 1.00 0.00 N ATOM 234 CA ALA A 15 -8.909 -2.572 6.843 1.00 0.00 C ATOM 235 C ALA A 15 -8.799 -4.061 6.796 1.00 0.00 C ATOM 236 O ALA A 15 -9.713 -4.757 6.376 1.00 0.00 O ATOM 237 CB ALA A 15 -8.117 -2.006 5.708 1.00 0.00 C ATOM 0 H ALA A 15 -7.502 -1.665 8.101 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.949 -2.263 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.498 -2.400 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.205 -0.920 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.069 -2.285 5.820 1.00 0.00 H new ATOM 243 N TYR A 16 -7.657 -4.546 7.239 1.00 0.00 N ATOM 244 CA TYR A 16 -7.407 -5.962 7.277 1.00 0.00 C ATOM 245 C TYR A 16 -8.562 -6.646 8.006 1.00 0.00 C ATOM 246 O TYR A 16 -8.905 -7.793 7.724 1.00 0.00 O ATOM 247 CB TYR A 16 -6.074 -6.200 7.965 1.00 0.00 C ATOM 248 CG TYR A 16 -6.076 -7.410 8.825 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.792 -8.637 8.283 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.381 -7.315 10.161 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.802 -9.776 9.048 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.400 -8.446 10.958 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.108 -9.681 10.394 1.00 0.00 C ATOM 254 OH TYR A 16 -6.122 -10.814 11.176 1.00 0.00 O ATOM 0 H TYR A 16 -6.886 -3.971 7.579 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.349 -6.384 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.294 -6.298 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.823 -5.330 8.571 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.555 -8.708 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.607 -6.351 10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.574 -10.734 8.605 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.640 -8.369 12.008 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.354 -10.573 12.097 1.00 0.00 H new ATOM 264 N LYS A 17 -9.184 -5.894 8.911 1.00 0.00 N ATOM 265 CA LYS A 17 -10.334 -6.376 9.653 1.00 0.00 C ATOM 266 C LYS A 17 -11.569 -6.371 8.750 1.00 0.00 C ATOM 267 O LYS A 17 -12.643 -6.823 9.147 1.00 0.00 O ATOM 268 CB LYS A 17 -10.590 -5.503 10.883 1.00 0.00 C ATOM 269 CG LYS A 17 -9.466 -5.535 11.905 1.00 0.00 C ATOM 270 CD LYS A 17 -9.516 -4.323 12.822 1.00 0.00 C ATOM 271 CE LYS A 17 -8.151 -4.022 13.423 1.00 0.00 C ATOM 272 NZ LYS A 17 -7.471 -5.257 13.905 1.00 0.00 N ATOM 0 H LYS A 17 -8.904 -4.942 9.145 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.130 -7.393 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.745 -4.474 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.513 -5.829 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.538 -6.446 12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.505 -5.565 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.867 -3.456 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.236 -4.500 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.526 -3.531 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.265 -3.324 14.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.688 -4.998 14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.152 -5.850 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.097 -5.787 13.092 1.00 0.00 H new ATOM 286 N ASP A 18 -11.401 -5.863 7.524 1.00 0.00 N ATOM 287 CA ASP A 18 -12.487 -5.807 6.563 1.00 0.00 C ATOM 288 C ASP A 18 -13.023 -7.212 6.319 1.00 0.00 C ATOM 289 O ASP A 18 -12.295 -8.084 5.848 1.00 0.00 O ATOM 290 CB ASP A 18 -12.029 -5.195 5.249 1.00 0.00 C ATOM 291 CG ASP A 18 -13.097 -5.251 4.172 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.230 -6.310 3.521 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.804 -4.239 3.982 1.00 0.00 O ATOM 0 H ASP A 18 -10.517 -5.486 7.182 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.276 -5.176 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.743 -4.157 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.139 -5.719 4.900 1.00 0.00 H new ATOM 298 N PRO A 19 -14.291 -7.457 6.654 1.00 0.00 N ATOM 299 CA PRO A 19 -14.927 -8.778 6.501 1.00 0.00 C ATOM 300 C PRO A 19 -14.764 -9.400 5.116 1.00 0.00 C ATOM 301 O PRO A 19 -15.003 -10.595 4.943 1.00 0.00 O ATOM 302 CB PRO A 19 -16.392 -8.477 6.804 1.00 0.00 C ATOM 303 CG PRO A 19 -16.307 -7.347 7.764 1.00 0.00 C ATOM 304 CD PRO A 19 -15.217 -6.475 7.238 1.00 0.00 C ATOM 0 HA PRO A 19 -14.470 -9.521 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.942 -8.202 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.900 -9.338 7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.252 -6.806 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.079 -7.700 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.584 -5.768 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.746 -5.890 8.028 1.00 0.00 H new ATOM 312 N GLU A 20 -14.340 -8.611 4.136 1.00 0.00 N ATOM 313 CA GLU A 20 -14.134 -9.133 2.797 1.00 0.00 C ATOM 314 C GLU A 20 -12.656 -9.181 2.464 1.00 0.00 C ATOM 315 O GLU A 20 -12.247 -9.375 1.320 1.00 0.00 O ATOM 316 CB GLU A 20 -14.880 -8.285 1.807 1.00 0.00 C ATOM 317 CG GLU A 20 -16.371 -8.432 1.963 1.00 0.00 C ATOM 318 CD GLU A 20 -17.129 -8.216 0.668 1.00 0.00 C ATOM 319 OE1 GLU A 20 -17.047 -7.101 0.112 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.803 -9.162 0.210 1.00 0.00 O ATOM 0 H GLU A 20 -14.135 -7.618 4.244 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.518 -10.152 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.601 -7.240 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.590 -8.566 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.594 -9.428 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.724 -7.718 2.707 1.00 0.00 H new ATOM 327 N VAL A 21 -11.886 -9.082 3.520 1.00 0.00 N ATOM 328 CA VAL A 21 -10.444 -9.185 3.478 1.00 0.00 C ATOM 329 C VAL A 21 -10.078 -10.374 4.352 1.00 0.00 C ATOM 330 O VAL A 21 -9.163 -11.137 4.048 1.00 0.00 O ATOM 331 CB VAL A 21 -9.752 -7.906 3.987 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.247 -8.106 4.102 1.00 0.00 C ATOM 333 CG2 VAL A 21 -10.072 -6.734 3.070 1.00 0.00 C ATOM 0 H VAL A 21 -12.253 -8.923 4.458 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.106 -9.316 2.450 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.134 -7.683 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.784 -7.188 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.040 -8.916 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.838 -8.358 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.577 -5.836 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.719 -6.953 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.150 -6.572 3.049 1.00 0.00 H new ATOM 343 N LYS A 22 -10.874 -10.553 5.413 1.00 0.00 N ATOM 344 CA LYS A 22 -10.729 -11.672 6.318 1.00 0.00 C ATOM 345 C LYS A 22 -10.880 -12.949 5.520 1.00 0.00 C ATOM 346 O LYS A 22 -10.211 -13.950 5.774 1.00 0.00 O ATOM 347 CB LYS A 22 -11.808 -11.627 7.415 1.00 0.00 C ATOM 348 CG LYS A 22 -12.156 -10.241 7.930 1.00 0.00 C ATOM 349 CD LYS A 22 -11.082 -9.585 8.809 1.00 0.00 C ATOM 350 CE LYS A 22 -9.698 -10.220 8.725 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.668 -11.610 9.262 1.00 0.00 N ATOM 0 H LYS A 22 -11.634 -9.919 5.658 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.751 -11.628 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.715 -12.091 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.473 -12.235 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.352 -9.592 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.082 -10.304 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.000 -8.534 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.416 -9.615 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.370 -10.230 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.987 -9.606 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.961 -11.673 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.605 -11.856 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.417 -12.271 8.500 1.00 0.00 H new ATOM 365 N ALA A 23 -11.760 -12.887 4.525 1.00 0.00 N ATOM 366 CA ALA A 23 -11.993 -14.019 3.654 1.00 0.00 C ATOM 367 C ALA A 23 -10.749 -14.288 2.822 1.00 0.00 C ATOM 368 O ALA A 23 -10.549 -15.392 2.316 1.00 0.00 O ATOM 369 CB ALA A 23 -13.197 -13.772 2.757 1.00 0.00 C ATOM 0 H ALA A 23 -12.320 -12.063 4.307 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.208 -14.896 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.353 -14.636 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.083 -13.614 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.019 -12.888 2.144 1.00 0.00 H new ATOM 375 N ASN A 24 -9.907 -13.262 2.693 1.00 0.00 N ATOM 376 CA ASN A 24 -8.680 -13.379 1.937 1.00 0.00 C ATOM 377 C ASN A 24 -7.464 -13.251 2.850 1.00 0.00 C ATOM 378 O ASN A 24 -6.783 -12.225 2.857 1.00 0.00 O ATOM 379 CB ASN A 24 -8.628 -12.326 0.826 1.00 0.00 C ATOM 380 CG ASN A 24 -8.300 -12.929 -0.526 1.00 0.00 C ATOM 381 OD1 ASN A 24 -7.455 -12.413 -1.259 1.00 0.00 O ATOM 382 ND2 ASN A 24 -8.968 -14.025 -0.864 1.00 0.00 N ATOM 0 H ASN A 24 -10.061 -12.343 3.107 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.659 -14.367 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.589 -11.814 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.880 -11.574 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.790 -14.474 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.659 -14.418 -0.225 1.00 0.00 H new ATOM 389 N GLU A 25 -7.197 -14.302 3.622 1.00 0.00 N ATOM 390 CA GLU A 25 -6.065 -14.314 4.545 1.00 0.00 C ATOM 391 C GLU A 25 -4.793 -13.817 3.867 1.00 0.00 C ATOM 392 O GLU A 25 -3.925 -13.226 4.504 1.00 0.00 O ATOM 393 CB GLU A 25 -5.842 -15.726 5.093 1.00 0.00 C ATOM 394 CG GLU A 25 -5.289 -15.747 6.509 1.00 0.00 C ATOM 395 CD GLU A 25 -6.326 -16.162 7.533 1.00 0.00 C ATOM 396 OE1 GLU A 25 -7.441 -15.601 7.511 1.00 0.00 O ATOM 397 OE2 GLU A 25 -6.023 -17.050 8.360 1.00 0.00 O ATOM 0 H GLU A 25 -7.751 -15.158 3.626 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.300 -13.640 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.787 -16.268 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.155 -16.258 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.443 -16.433 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.910 -14.757 6.762 1.00 0.00 H new ATOM 404 N PHE A 26 -4.696 -14.065 2.571 1.00 0.00 N ATOM 405 CA PHE A 26 -3.535 -13.654 1.791 1.00 0.00 C ATOM 406 C PHE A 26 -3.430 -12.132 1.715 1.00 0.00 C ATOM 407 O PHE A 26 -2.376 -11.558 1.989 1.00 0.00 O ATOM 408 CB PHE A 26 -3.611 -14.251 0.381 1.00 0.00 C ATOM 409 CG PHE A 26 -2.609 -13.675 -0.581 1.00 0.00 C ATOM 410 CD1 PHE A 26 -2.817 -12.431 -1.152 1.00 0.00 C ATOM 411 CD2 PHE A 26 -1.462 -14.378 -0.912 1.00 0.00 C ATOM 412 CE1 PHE A 26 -1.900 -11.895 -2.035 1.00 0.00 C ATOM 413 CE2 PHE A 26 -0.540 -13.849 -1.796 1.00 0.00 C ATOM 414 CZ PHE A 26 -0.759 -12.605 -2.358 1.00 0.00 C ATOM 0 H PHE A 26 -5.412 -14.552 2.032 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.641 -14.028 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.460 -15.329 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.614 -14.093 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.708 -11.873 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.286 -15.350 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.074 -10.923 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.350 -14.407 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.040 -12.189 -3.048 1.00 0.00 H new ATOM 424 N LEU A 27 -4.525 -11.487 1.331 1.00 0.00 N ATOM 425 CA LEU A 27 -4.557 -10.037 1.206 1.00 0.00 C ATOM 426 C LEU A 27 -4.522 -9.365 2.578 1.00 0.00 C ATOM 427 O LEU A 27 -3.888 -8.323 2.742 1.00 0.00 O ATOM 428 CB LEU A 27 -5.787 -9.625 0.388 1.00 0.00 C ATOM 429 CG LEU A 27 -6.848 -8.813 1.127 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.551 -7.327 1.010 1.00 0.00 C ATOM 431 CD2 LEU A 27 -8.232 -9.131 0.580 1.00 0.00 C ATOM 0 H LEU A 27 -5.405 -11.948 1.100 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.666 -9.699 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.449 -9.045 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.257 -10.528 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.826 -9.085 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.315 -6.760 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.574 -7.116 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.550 -7.038 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.979 -8.545 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.270 -8.883 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.440 -10.193 0.712 1.00 0.00 H new ATOM 443 N SER A 28 -5.183 -9.964 3.572 1.00 0.00 N ATOM 444 CA SER A 28 -5.186 -9.409 4.905 1.00 0.00 C ATOM 445 C SER A 28 -3.816 -9.584 5.535 1.00 0.00 C ATOM 446 O SER A 28 -3.248 -8.638 6.067 1.00 0.00 O ATOM 447 CB SER A 28 -6.282 -10.060 5.747 1.00 0.00 C ATOM 448 OG SER A 28 -6.978 -11.045 5.010 1.00 0.00 O ATOM 0 H SER A 28 -5.716 -10.827 3.469 1.00 0.00 H new ATOM 0 HA SER A 28 -5.402 -8.342 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.841 -10.511 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.981 -9.298 6.090 1.00 0.00 H new ATOM 0 HG SER A 28 -7.932 -11.007 5.233 1.00 0.00 H new ATOM 454 N LYS A 29 -3.274 -10.787 5.427 1.00 0.00 N ATOM 455 CA LYS A 29 -1.942 -11.074 5.954 1.00 0.00 C ATOM 456 C LYS A 29 -0.953 -10.047 5.427 1.00 0.00 C ATOM 457 O LYS A 29 -0.046 -9.614 6.139 1.00 0.00 O ATOM 458 CB LYS A 29 -1.495 -12.486 5.569 1.00 0.00 C ATOM 459 CG LYS A 29 -2.101 -13.573 6.441 1.00 0.00 C ATOM 460 CD LYS A 29 -1.984 -14.940 5.788 1.00 0.00 C ATOM 461 CE LYS A 29 -1.043 -15.846 6.562 1.00 0.00 C ATOM 462 NZ LYS A 29 -0.464 -16.914 5.701 1.00 0.00 N ATOM 0 H LYS A 29 -3.732 -11.581 4.981 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.977 -11.017 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.764 -12.673 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.408 -12.544 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.599 -13.587 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.151 -13.347 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.969 -15.402 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.623 -14.827 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.238 -15.250 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.581 -16.302 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.172 -17.510 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.230 -17.499 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.071 -16.480 4.922 1.00 0.00 H new ATOM 476 N LEU A 30 -1.159 -9.637 4.181 1.00 0.00 N ATOM 477 CA LEU A 30 -0.313 -8.634 3.561 1.00 0.00 C ATOM 478 C LEU A 30 -0.594 -7.285 4.196 1.00 0.00 C ATOM 479 O LEU A 30 0.322 -6.539 4.542 1.00 0.00 O ATOM 480 CB LEU A 30 -0.564 -8.576 2.050 1.00 0.00 C ATOM 481 CG LEU A 30 0.341 -9.468 1.189 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.559 -8.836 -0.175 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.679 -9.722 1.875 1.00 0.00 C ATOM 0 H LEU A 30 -1.907 -9.987 3.582 1.00 0.00 H new ATOM 0 HA LEU A 30 0.733 -8.899 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.601 -8.853 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.445 -7.544 1.720 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.158 -10.428 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.203 -9.479 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.401 -8.713 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.032 -7.862 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.298 -10.357 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.187 -8.773 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.510 -10.219 2.830 1.00 0.00 H new ATOM 495 N VAL A 31 -1.875 -7.001 4.379 1.00 0.00 N ATOM 496 CA VAL A 31 -2.302 -5.766 5.012 1.00 0.00 C ATOM 497 C VAL A 31 -1.795 -5.738 6.447 1.00 0.00 C ATOM 498 O VAL A 31 -1.520 -4.679 7.009 1.00 0.00 O ATOM 499 CB VAL A 31 -3.836 -5.651 5.013 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.282 -4.341 5.635 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.385 -5.797 3.603 1.00 0.00 C ATOM 0 H VAL A 31 -2.639 -7.614 4.096 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.892 -4.927 4.450 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.237 -6.463 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.370 -4.285 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.927 -4.287 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.870 -3.509 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.472 -5.713 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.973 -5.012 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.105 -6.771 3.202 1.00 0.00 H new ATOM 511 N VAL A 32 -1.665 -6.931 7.019 1.00 0.00 N ATOM 512 CA VAL A 32 -1.179 -7.098 8.376 1.00 0.00 C ATOM 513 C VAL A 32 0.310 -6.828 8.432 1.00 0.00 C ATOM 514 O VAL A 32 0.755 -5.837 9.010 1.00 0.00 O ATOM 515 CB VAL A 32 -1.463 -8.522 8.876 1.00 0.00 C ATOM 516 CG1 VAL A 32 -1.072 -8.670 10.337 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.928 -8.874 8.660 1.00 0.00 C ATOM 0 H VAL A 32 -1.895 -7.807 6.551 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.699 -6.387 9.018 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.856 -9.220 8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.282 -9.687 10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.008 -8.464 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.645 -7.966 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.116 -9.886 9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.556 -8.172 9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.163 -8.816 7.597 1.00 0.00 H new ATOM 527 N GLN A 33 1.074 -7.708 7.801 1.00 0.00 N ATOM 528 CA GLN A 33 2.519 -7.564 7.743 1.00 0.00 C ATOM 529 C GLN A 33 2.875 -6.153 7.325 1.00 0.00 C ATOM 530 O GLN A 33 3.684 -5.480 7.964 1.00 0.00 O ATOM 531 CB GLN A 33 3.113 -8.569 6.760 1.00 0.00 C ATOM 532 CG GLN A 33 4.274 -9.345 7.340 1.00 0.00 C ATOM 533 CD GLN A 33 4.798 -10.410 6.395 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.020 -11.553 6.793 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.000 -10.037 5.137 1.00 0.00 N ATOM 0 H GLN A 33 0.714 -8.532 7.320 1.00 0.00 H new ATOM 0 HA GLN A 33 2.934 -7.760 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.336 -9.267 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.446 -8.042 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.081 -8.654 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.962 -9.815 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.802 -9.078 4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.353 -10.709 4.456 1.00 0.00 H new ATOM 544 N CYS A 34 2.232 -5.705 6.259 1.00 0.00 N ATOM 545 CA CYS A 34 2.438 -4.359 5.753 1.00 0.00 C ATOM 546 C CYS A 34 2.226 -3.364 6.886 1.00 0.00 C ATOM 547 O CYS A 34 2.930 -2.362 7.001 1.00 0.00 O ATOM 548 CB CYS A 34 1.470 -4.063 4.605 1.00 0.00 C ATOM 549 SG CYS A 34 1.631 -2.401 3.913 1.00 0.00 S ATOM 0 H CYS A 34 1.560 -6.257 5.726 1.00 0.00 H new ATOM 0 HA CYS A 34 3.455 -4.270 5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.631 -4.792 3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.449 -4.199 4.961 1.00 0.00 H new ATOM 0 HG CYS A 34 0.773 -2.248 2.948 1.00 0.00 H new ATOM 555 N ALA A 35 1.253 -3.672 7.738 1.00 0.00 N ATOM 556 CA ALA A 35 0.941 -2.833 8.882 1.00 0.00 C ATOM 557 C ALA A 35 2.113 -2.797 9.851 1.00 0.00 C ATOM 558 O ALA A 35 2.378 -1.781 10.493 1.00 0.00 O ATOM 559 CB ALA A 35 -0.315 -3.339 9.574 1.00 0.00 C ATOM 0 H ALA A 35 0.666 -4.502 7.654 1.00 0.00 H new ATOM 0 HA ALA A 35 0.758 -1.817 8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.540 -2.703 10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.151 -3.315 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.156 -4.362 9.914 1.00 0.00 H new ATOM 565 N GLY A 36 2.820 -3.914 9.934 1.00 0.00 N ATOM 566 CA GLY A 36 3.974 -4.006 10.810 1.00 0.00 C ATOM 567 C GLY A 36 5.200 -3.384 10.183 1.00 0.00 C ATOM 568 O GLY A 36 6.054 -2.834 10.877 1.00 0.00 O ATOM 0 H GLY A 36 2.615 -4.764 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.755 -3.508 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.174 -5.052 11.041 1.00 0.00 H new ATOM 572 N LYS A 37 5.275 -3.450 8.858 1.00 0.00 N ATOM 573 CA LYS A 37 6.385 -2.867 8.136 1.00 0.00 C ATOM 574 C LYS A 37 6.206 -1.353 8.059 1.00 0.00 C ATOM 575 O LYS A 37 7.113 -0.626 7.653 1.00 0.00 O ATOM 576 CB LYS A 37 6.486 -3.471 6.730 1.00 0.00 C ATOM 577 CG LYS A 37 6.540 -4.994 6.709 1.00 0.00 C ATOM 578 CD LYS A 37 7.432 -5.552 7.810 1.00 0.00 C ATOM 579 CE LYS A 37 6.614 -6.170 8.932 1.00 0.00 C ATOM 580 NZ LYS A 37 7.250 -7.405 9.468 1.00 0.00 N ATOM 0 H LYS A 37 4.577 -3.903 8.268 1.00 0.00 H new ATOM 0 HA LYS A 37 7.312 -3.088 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.630 -3.140 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.378 -3.080 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.532 -5.393 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.909 -5.330 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.102 -6.303 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.058 -4.755 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.495 -5.444 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.615 -6.406 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.661 -7.796 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.341 -8.107 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.193 -7.176 9.841 1.00 0.00 H new ATOM 594 N LEU A 38 5.023 -0.888 8.467 1.00 0.00 N ATOM 595 CA LEU A 38 4.706 0.532 8.463 1.00 0.00 C ATOM 596 C LEU A 38 5.066 1.157 9.800 1.00 0.00 C ATOM 597 O LEU A 38 5.466 2.316 9.863 1.00 0.00 O ATOM 598 CB LEU A 38 3.217 0.734 8.183 1.00 0.00 C ATOM 599 CG LEU A 38 2.815 0.791 6.704 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.767 2.231 6.226 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.765 -0.032 5.840 1.00 0.00 C ATOM 0 H LEU A 38 4.267 -1.484 8.806 1.00 0.00 H new ATOM 0 HA LEU A 38 5.288 1.017 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.665 -0.076 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.899 1.660 8.662 1.00 0.00 H new ATOM 0 HG LEU A 38 1.820 0.357 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.480 2.256 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.036 2.786 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.750 2.687 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.453 0.029 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.778 0.359 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.744 -1.072 6.165 1.00 0.00 H new ATOM 613 N THR A 39 4.923 0.381 10.873 1.00 0.00 N ATOM 614 CA THR A 39 5.237 0.874 12.209 1.00 0.00 C ATOM 615 C THR A 39 6.609 1.536 12.235 1.00 0.00 C ATOM 616 O THR A 39 6.870 2.416 13.054 1.00 0.00 O ATOM 617 CB THR A 39 5.166 -0.250 13.240 1.00 0.00 C ATOM 618 OG1 THR A 39 4.923 -1.499 12.618 1.00 0.00 O ATOM 619 CG2 THR A 39 4.089 -0.034 14.276 1.00 0.00 C ATOM 0 H THR A 39 4.594 -0.584 10.843 1.00 0.00 H new ATOM 0 HA THR A 39 4.489 1.623 12.471 1.00 0.00 H new ATOM 0 HB THR A 39 6.137 -0.247 13.736 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.658 -1.707 12.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.089 -0.866 14.980 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.281 0.895 14.813 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.118 0.025 13.784 1.00 0.00 H new ATOM 627 N ALA A 40 7.479 1.122 11.323 1.00 0.00 N ATOM 628 CA ALA A 40 8.809 1.698 11.235 1.00 0.00 C ATOM 629 C ALA A 40 8.871 2.750 10.140 1.00 0.00 C ATOM 630 O ALA A 40 9.923 2.964 9.537 1.00 0.00 O ATOM 631 CB ALA A 40 9.868 0.637 10.979 1.00 0.00 C ATOM 0 H ALA A 40 7.286 0.392 10.637 1.00 0.00 H new ATOM 0 HA ALA A 40 9.017 2.165 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.849 1.109 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.862 -0.087 11.794 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.653 0.128 10.040 1.00 0.00 H new ATOM 637 N SER A 41 7.746 3.409 9.877 1.00 0.00 N ATOM 638 CA SER A 41 7.706 4.432 8.842 1.00 0.00 C ATOM 639 C SER A 41 8.825 5.441 9.053 1.00 0.00 C ATOM 640 O SER A 41 9.281 6.077 8.102 1.00 0.00 O ATOM 641 CB SER A 41 6.348 5.128 8.803 1.00 0.00 C ATOM 642 OG SER A 41 6.320 6.135 7.807 1.00 0.00 O ATOM 0 H SER A 41 6.861 3.254 10.361 1.00 0.00 H new ATOM 0 HA SER A 41 7.854 3.945 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.566 4.395 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.134 5.569 9.777 1.00 0.00 H new ATOM 0 HG SER A 41 5.734 5.854 7.074 1.00 0.00 H new ATOM 648 N ASN A 42 9.307 5.547 10.297 1.00 0.00 N ATOM 649 CA ASN A 42 10.421 6.437 10.600 1.00 0.00 C ATOM 650 C ASN A 42 11.523 6.193 9.578 1.00 0.00 C ATOM 651 O ASN A 42 12.249 7.104 9.182 1.00 0.00 O ATOM 652 CB ASN A 42 10.936 6.178 12.016 1.00 0.00 C ATOM 653 CG ASN A 42 10.983 7.439 12.855 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.861 8.284 12.678 1.00 0.00 O ATOM 655 ND2 ASN A 42 10.034 7.574 13.775 1.00 0.00 N ATOM 0 H ASN A 42 8.944 5.031 11.099 1.00 0.00 H new ATOM 0 HA ASN A 42 10.094 7.475 10.548 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.295 5.444 12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.934 5.743 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.014 8.403 14.369 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.326 6.849 13.887 1.00 0.00 H new ATOM 662 N SER A 43 11.579 4.945 9.111 1.00 0.00 N ATOM 663 CA SER A 43 12.500 4.538 8.094 1.00 0.00 C ATOM 664 C SER A 43 11.779 4.688 6.770 1.00 0.00 C ATOM 665 O SER A 43 11.377 3.704 6.154 1.00 0.00 O ATOM 666 CB SER A 43 12.943 3.089 8.308 1.00 0.00 C ATOM 667 OG SER A 43 13.625 2.940 9.541 1.00 0.00 O ATOM 0 H SER A 43 10.973 4.195 9.443 1.00 0.00 H new ATOM 0 HA SER A 43 13.402 5.150 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.073 2.433 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.593 2.780 7.490 1.00 0.00 H new ATOM 0 HG SER A 43 13.896 2.005 9.654 1.00 0.00 H new ATOM 673 N GLU A 44 11.578 5.934 6.360 1.00 0.00 N ATOM 674 CA GLU A 44 10.853 6.222 5.132 1.00 0.00 C ATOM 675 C GLU A 44 11.497 5.516 3.964 1.00 0.00 C ATOM 676 O GLU A 44 10.841 5.196 2.982 1.00 0.00 O ATOM 677 CB GLU A 44 10.845 7.726 4.873 1.00 0.00 C ATOM 678 CG GLU A 44 12.161 8.256 4.328 1.00 0.00 C ATOM 679 CD GLU A 44 12.418 9.699 4.717 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.484 10.519 4.605 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.554 10.008 5.134 1.00 0.00 O ATOM 0 H GLU A 44 11.907 6.760 6.860 1.00 0.00 H new ATOM 0 HA GLU A 44 9.829 5.866 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.048 7.961 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.611 8.245 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.978 7.634 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.159 8.172 3.241 1.00 0.00 H new ATOM 688 N ASN A 45 12.774 5.249 4.096 1.00 0.00 N ATOM 689 CA ASN A 45 13.501 4.545 3.055 1.00 0.00 C ATOM 690 C ASN A 45 13.085 3.087 3.056 1.00 0.00 C ATOM 691 O ASN A 45 12.969 2.441 2.013 1.00 0.00 O ATOM 692 CB ASN A 45 15.011 4.667 3.272 1.00 0.00 C ATOM 693 CG ASN A 45 15.452 4.084 4.601 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.010 4.524 5.662 1.00 0.00 O ATOM 695 ND2 ASN A 45 16.331 3.089 4.548 1.00 0.00 N ATOM 0 H ASN A 45 13.334 5.505 4.909 1.00 0.00 H new ATOM 0 HA ASN A 45 13.263 4.991 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.534 4.157 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.299 5.717 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.666 2.658 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.671 2.756 3.646 1.00 0.00 H new ATOM 702 N SER A 46 12.832 2.600 4.253 1.00 0.00 N ATOM 703 CA SER A 46 12.396 1.238 4.473 1.00 0.00 C ATOM 704 C SER A 46 10.904 1.122 4.231 1.00 0.00 C ATOM 705 O SER A 46 10.399 0.085 3.801 1.00 0.00 O ATOM 706 CB SER A 46 12.738 0.814 5.894 1.00 0.00 C ATOM 707 OG SER A 46 12.383 -0.538 6.130 1.00 0.00 O ATOM 0 H SER A 46 12.925 3.146 5.110 1.00 0.00 H new ATOM 0 HA SER A 46 12.911 0.579 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.806 0.947 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.217 1.458 6.603 1.00 0.00 H new ATOM 0 HG SER A 46 12.616 -0.782 7.050 1.00 0.00 H new ATOM 713 N TYR A 47 10.213 2.224 4.485 1.00 0.00 N ATOM 714 CA TYR A 47 8.807 2.316 4.282 1.00 0.00 C ATOM 715 C TYR A 47 8.589 2.611 2.811 1.00 0.00 C ATOM 716 O TYR A 47 7.542 2.318 2.263 1.00 0.00 O ATOM 717 CB TYR A 47 8.223 3.385 5.224 1.00 0.00 C ATOM 718 CG TYR A 47 7.108 4.200 4.633 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.387 5.182 3.709 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.786 3.975 4.986 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.374 5.932 3.142 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.766 4.709 4.425 1.00 0.00 C ATOM 723 CZ TYR A 47 5.062 5.686 3.503 1.00 0.00 C ATOM 724 OH TYR A 47 4.043 6.412 2.935 1.00 0.00 O ATOM 0 H TYR A 47 10.635 3.081 4.842 1.00 0.00 H new ATOM 0 HA TYR A 47 8.285 1.390 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.858 2.894 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.024 4.058 5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.412 5.369 3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.553 3.211 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.605 6.704 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.741 4.519 4.707 1.00 0.00 H new ATOM 0 HH TYR A 47 3.184 6.111 3.299 1.00 0.00 H new ATOM 734 N ILE A 48 9.643 3.167 2.190 1.00 0.00 N ATOM 735 CA ILE A 48 9.670 3.493 0.769 1.00 0.00 C ATOM 736 C ILE A 48 9.678 2.219 -0.030 1.00 0.00 C ATOM 737 O ILE A 48 9.035 2.117 -1.076 1.00 0.00 O ATOM 738 CB ILE A 48 10.944 4.324 0.427 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.663 5.831 0.476 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.553 3.942 -0.927 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.285 6.178 0.986 1.00 0.00 C ATOM 0 H ILE A 48 10.509 3.403 2.675 1.00 0.00 H new ATOM 0 HA ILE A 48 8.787 4.083 0.523 1.00 0.00 H new ATOM 0 HB ILE A 48 11.678 4.080 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.407 6.309 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.785 6.247 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.437 4.552 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.835 2.889 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.821 4.113 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.161 7.261 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.533 5.730 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.165 5.794 1.999 1.00 0.00 H new ATOM 753 N GLU A 49 10.404 1.242 0.477 1.00 0.00 N ATOM 754 CA GLU A 49 10.481 -0.024 -0.184 1.00 0.00 C ATOM 755 C GLU A 49 9.148 -0.690 -0.046 1.00 0.00 C ATOM 756 O GLU A 49 8.445 -0.891 -1.033 1.00 0.00 O ATOM 757 CB GLU A 49 11.602 -0.888 0.397 1.00 0.00 C ATOM 758 CG GLU A 49 12.811 -0.083 0.848 1.00 0.00 C ATOM 759 CD GLU A 49 14.122 -0.684 0.379 1.00 0.00 C ATOM 760 OE1 GLU A 49 14.136 -1.304 -0.704 1.00 0.00 O ATOM 761 OE2 GLU A 49 15.134 -0.534 1.096 1.00 0.00 O ATOM 0 H GLU A 49 10.943 1.310 1.341 1.00 0.00 H new ATOM 0 HA GLU A 49 10.720 0.117 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.214 -1.453 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.917 -1.614 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.726 0.935 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.814 -0.019 1.936 1.00 0.00 H new ATOM 768 N VAL A 50 8.766 -0.970 1.190 1.00 0.00 N ATOM 769 CA VAL A 50 7.474 -1.556 1.431 1.00 0.00 C ATOM 770 C VAL A 50 6.397 -0.659 0.828 1.00 0.00 C ATOM 771 O VAL A 50 5.305 -1.118 0.497 1.00 0.00 O ATOM 772 CB VAL A 50 7.197 -1.791 2.932 1.00 0.00 C ATOM 773 CG1 VAL A 50 7.027 -0.472 3.666 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.970 -2.672 3.115 1.00 0.00 C ATOM 0 H VAL A 50 9.328 -0.801 2.024 1.00 0.00 H new ATOM 0 HA VAL A 50 7.459 -2.536 0.955 1.00 0.00 H new ATOM 0 HB VAL A 50 8.057 -2.305 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.833 -0.665 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.937 0.120 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.189 0.077 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.789 -2.828 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.103 -2.186 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.137 -3.634 2.631 1.00 0.00 H new ATOM 784 N ILE A 51 6.736 0.624 0.652 1.00 0.00 N ATOM 785 CA ILE A 51 5.817 1.567 0.047 1.00 0.00 C ATOM 786 C ILE A 51 5.770 1.322 -1.449 1.00 0.00 C ATOM 787 O ILE A 51 4.713 1.412 -2.076 1.00 0.00 O ATOM 788 CB ILE A 51 6.197 3.038 0.347 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.257 3.626 1.401 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.143 3.888 -0.914 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.820 3.108 1.334 1.00 0.00 C ATOM 0 H ILE A 51 7.636 1.021 0.921 1.00 0.00 H new ATOM 0 HA ILE A 51 4.831 1.407 0.483 1.00 0.00 H new ATOM 0 HB ILE A 51 7.218 3.046 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.661 3.410 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.244 4.710 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.415 4.916 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.842 3.492 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.133 3.867 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.227 3.579 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.392 3.348 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.816 2.027 1.476 1.00 0.00 H new ATOM 803 N SER A 52 6.923 0.979 -2.010 1.00 0.00 N ATOM 804 CA SER A 52 7.010 0.684 -3.419 1.00 0.00 C ATOM 805 C SER A 52 6.368 -0.666 -3.697 1.00 0.00 C ATOM 806 O SER A 52 5.846 -0.912 -4.783 1.00 0.00 O ATOM 807 CB SER A 52 8.461 0.711 -3.882 1.00 0.00 C ATOM 808 OG SER A 52 8.835 -0.508 -4.504 1.00 0.00 O ATOM 0 H SER A 52 7.805 0.901 -1.504 1.00 0.00 H new ATOM 0 HA SER A 52 6.471 1.447 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.605 1.535 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.112 0.899 -3.028 1.00 0.00 H new ATOM 0 HG SER A 52 9.806 -0.623 -4.441 1.00 0.00 H new ATOM 814 N LEU A 53 6.419 -1.539 -2.692 1.00 0.00 N ATOM 815 CA LEU A 53 5.854 -2.867 -2.803 1.00 0.00 C ATOM 816 C LEU A 53 4.390 -2.881 -2.395 1.00 0.00 C ATOM 817 O LEU A 53 3.676 -3.839 -2.690 1.00 0.00 O ATOM 818 CB LEU A 53 6.635 -3.871 -1.957 1.00 0.00 C ATOM 819 CG LEU A 53 8.078 -3.480 -1.683 1.00 0.00 C ATOM 820 CD1 LEU A 53 8.787 -4.553 -0.872 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.816 -3.205 -2.985 1.00 0.00 C ATOM 0 H LEU A 53 6.851 -1.341 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 53 5.926 -3.160 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.121 -4.002 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.624 -4.837 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 53 8.076 -2.563 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.818 -4.249 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.274 -4.688 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.778 -5.492 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.847 -2.927 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.805 -4.101 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.325 -2.390 -3.516 1.00 0.00 H new ATOM 833 N LEU A 54 3.926 -1.821 -1.726 1.00 0.00 N ATOM 834 CA LEU A 54 2.562 -1.756 -1.320 1.00 0.00 C ATOM 835 C LEU A 54 1.704 -1.399 -2.525 1.00 0.00 C ATOM 836 O LEU A 54 0.682 -2.036 -2.779 1.00 0.00 O ATOM 837 CB LEU A 54 2.423 -0.764 -0.174 1.00 0.00 C ATOM 838 CG LEU A 54 1.238 0.163 -0.270 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.034 -0.628 -0.551 1.00 0.00 C ATOM 840 CD2 LEU A 54 1.107 0.968 1.006 1.00 0.00 C ATOM 0 H LEU A 54 4.490 -1.012 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 54 2.215 -2.720 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.355 -1.320 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.331 -0.163 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 54 1.393 0.854 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.880 0.056 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.073 -1.166 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.205 -1.340 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.249 1.635 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.967 0.292 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.011 1.557 1.159 1.00 0.00 H new ATOM 852 N SER A 55 2.144 -0.404 -3.295 1.00 0.00 N ATOM 853 CA SER A 55 1.420 -0.016 -4.498 1.00 0.00 C ATOM 854 C SER A 55 1.182 -1.262 -5.337 1.00 0.00 C ATOM 855 O SER A 55 0.093 -1.834 -5.323 1.00 0.00 O ATOM 856 CB SER A 55 2.207 1.027 -5.297 1.00 0.00 C ATOM 857 OG SER A 55 3.432 1.346 -4.658 1.00 0.00 O ATOM 0 H SER A 55 2.987 0.140 -3.108 1.00 0.00 H new ATOM 0 HA SER A 55 0.467 0.435 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.405 0.647 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.607 1.930 -5.411 1.00 0.00 H new ATOM 0 HG SER A 55 4.065 0.608 -4.778 1.00 0.00 H new ATOM 863 N ARG A 56 2.227 -1.718 -6.022 1.00 0.00 N ATOM 864 CA ARG A 56 2.133 -2.937 -6.814 1.00 0.00 C ATOM 865 C ARG A 56 1.591 -4.064 -5.944 1.00 0.00 C ATOM 866 O ARG A 56 0.916 -4.974 -6.424 1.00 0.00 O ATOM 867 CB ARG A 56 3.503 -3.323 -7.371 1.00 0.00 C ATOM 868 CG ARG A 56 4.612 -3.360 -6.325 1.00 0.00 C ATOM 869 CD ARG A 56 4.683 -4.703 -5.604 1.00 0.00 C ATOM 870 NE ARG A 56 4.269 -5.821 -6.450 1.00 0.00 N ATOM 871 CZ ARG A 56 5.065 -6.422 -7.331 1.00 0.00 C ATOM 872 NH1 ARG A 56 6.320 -6.020 -7.486 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.604 -7.430 -8.060 1.00 0.00 N ATOM 0 H ARG A 56 3.141 -1.265 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 56 1.458 -2.763 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.429 -4.303 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.778 -2.615 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.569 -3.157 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.447 -2.567 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.703 -4.872 -5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.049 -4.669 -4.718 1.00 0.00 H new ATOM 0 HE ARG A 56 3.312 -6.161 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.680 -5.246 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.925 -6.485 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.640 -7.744 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.213 -7.891 -8.736 1.00 0.00 H new ATOM 887 N GLY A 57 1.890 -3.975 -4.651 1.00 0.00 N ATOM 888 CA GLY A 57 1.430 -4.966 -3.696 1.00 0.00 C ATOM 889 C GLY A 57 -0.042 -5.272 -3.856 1.00 0.00 C ATOM 890 O GLY A 57 -0.422 -6.197 -4.571 1.00 0.00 O ATOM 0 H GLY A 57 2.449 -3.225 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.006 -5.883 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.617 -4.607 -2.684 1.00 0.00 H new ATOM 894 N ILE A 58 -0.867 -4.479 -3.192 1.00 0.00 N ATOM 895 CA ILE A 58 -2.311 -4.646 -3.257 1.00 0.00 C ATOM 896 C ILE A 58 -2.840 -4.174 -4.614 1.00 0.00 C ATOM 897 O ILE A 58 -3.579 -3.196 -4.708 1.00 0.00 O ATOM 898 CB ILE A 58 -3.011 -3.894 -2.091 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.522 -3.726 -2.349 1.00 0.00 C ATOM 900 CG2 ILE A 58 -2.337 -2.548 -1.835 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.967 -2.288 -2.535 1.00 0.00 C ATOM 0 H ILE A 58 -0.560 -3.709 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.541 -5.706 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.905 -4.501 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.792 -4.296 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.072 -4.159 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.843 -2.038 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.291 -2.709 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.395 -1.935 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.042 -2.260 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.731 -1.715 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.448 -1.854 -3.389 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.627 -4.848 -1.177 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.751 -4.387 -0.368 1.00 0.00 C ATOM 1111 C PRO A 70 -13.551 -2.983 0.193 1.00 0.00 C ATOM 1112 O PRO A 70 -13.824 -2.730 1.366 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.791 -5.409 0.755 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.368 -5.800 0.959 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.680 -5.650 -0.379 1.00 0.00 C ATOM 0 HA PRO A 70 -14.670 -4.315 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.219 -4.984 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.404 -6.269 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.896 -5.166 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.296 -6.827 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.717 -5.149 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.489 -6.619 -0.841 1.00 0.00 H new ATOM 1123 N SER A 71 -13.083 -2.070 -0.652 1.00 0.00 N ATOM 1124 CA SER A 71 -12.856 -0.680 -0.249 1.00 0.00 C ATOM 1125 C SER A 71 -11.601 -0.528 0.613 1.00 0.00 C ATOM 1126 O SER A 71 -10.770 0.343 0.355 1.00 0.00 O ATOM 1127 CB SER A 71 -14.073 -0.139 0.508 1.00 0.00 C ATOM 1128 OG SER A 71 -14.087 1.279 0.504 1.00 0.00 O ATOM 0 H SER A 71 -12.851 -2.266 -1.626 1.00 0.00 H new ATOM 0 HA SER A 71 -12.706 -0.102 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.987 -0.516 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.058 -0.503 1.535 1.00 0.00 H new ATOM 0 HG SER A 71 -14.874 1.600 0.992 1.00 0.00 H new ATOM 1134 N SER A 72 -11.468 -1.363 1.646 1.00 0.00 N ATOM 1135 CA SER A 72 -10.315 -1.300 2.550 1.00 0.00 C ATOM 1136 C SER A 72 -8.989 -1.602 1.854 1.00 0.00 C ATOM 1137 O SER A 72 -7.988 -1.875 2.514 1.00 0.00 O ATOM 1138 CB SER A 72 -10.523 -2.254 3.723 1.00 0.00 C ATOM 1139 OG SER A 72 -11.849 -2.752 3.745 1.00 0.00 O ATOM 0 H SER A 72 -12.144 -2.091 1.878 1.00 0.00 H new ATOM 0 HA SER A 72 -10.250 -0.273 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.820 -3.084 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.310 -1.737 4.659 1.00 0.00 H new ATOM 0 HG SER A 72 -12.329 -2.370 4.509 1.00 0.00 H new ATOM 1145 N MET A 73 -8.977 -1.503 0.535 1.00 0.00 N ATOM 1146 CA MET A 73 -7.770 -1.720 -0.245 1.00 0.00 C ATOM 1147 C MET A 73 -7.587 -0.559 -1.216 1.00 0.00 C ATOM 1148 O MET A 73 -6.469 -0.208 -1.590 1.00 0.00 O ATOM 1149 CB MET A 73 -7.844 -3.050 -1.004 1.00 0.00 C ATOM 1150 CG MET A 73 -8.108 -4.261 -0.121 1.00 0.00 C ATOM 1151 SD MET A 73 -7.141 -4.280 1.406 1.00 0.00 S ATOM 1152 CE MET A 73 -5.567 -3.610 0.872 1.00 0.00 C ATOM 0 H MET A 73 -9.799 -1.271 -0.023 1.00 0.00 H new ATOM 0 HA MET A 73 -6.913 -1.769 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.632 -2.983 -1.754 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.907 -3.202 -1.539 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.168 -4.290 0.132 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.891 -5.166 -0.688 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.096 -3.082 1.701 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.919 -4.422 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.728 -2.917 0.046 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.708 0.044 -1.600 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.713 1.179 -2.503 1.00 0.00 C ATOM 1164 C LEU A 74 -8.300 2.450 -1.775 1.00 0.00 C ATOM 1165 O LEU A 74 -7.876 3.417 -2.393 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.109 1.366 -3.077 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.177 2.121 -4.405 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -11.450 1.761 -5.154 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.092 3.624 -4.172 1.00 0.00 C ATOM 0 H LEU A 74 -9.636 -0.244 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.001 0.984 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.562 0.384 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.716 1.898 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.325 1.825 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.484 2.306 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.464 0.690 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.316 2.029 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.142 4.144 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.923 3.942 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.150 3.863 -3.678 1.00 0.00 H new ATOM 1181 N THR A 75 -8.445 2.450 -0.459 1.00 0.00 N ATOM 1182 CA THR A 75 -8.097 3.608 0.344 1.00 0.00 C ATOM 1183 C THR A 75 -6.601 3.632 0.632 1.00 0.00 C ATOM 1184 O THR A 75 -5.951 4.665 0.508 1.00 0.00 O ATOM 1185 CB THR A 75 -8.911 3.607 1.649 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.820 4.693 1.668 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.074 3.694 2.914 1.00 0.00 C ATOM 0 H THR A 75 -8.802 1.658 0.075 1.00 0.00 H new ATOM 0 HA THR A 75 -8.343 4.511 -0.215 1.00 0.00 H new ATOM 0 HB THR A 75 -9.423 2.645 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.331 4.677 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.729 3.687 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.398 2.841 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.494 4.617 2.904 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.069 2.483 1.019 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.653 2.363 1.332 1.00 0.00 C ATOM 1197 C ILE A 76 -3.794 2.612 0.095 1.00 0.00 C ATOM 1198 O ILE A 76 -3.172 3.666 -0.042 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.343 0.964 1.914 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -4.793 0.894 3.376 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -2.862 0.623 1.783 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.213 0.392 3.544 1.00 0.00 C ATOM 0 H ILE A 76 -6.598 1.617 1.124 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.412 3.120 2.078 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.899 0.223 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.117 0.240 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.711 1.885 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.678 -0.366 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.579 0.630 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.269 1.361 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.467 0.367 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.899 1.059 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.296 -0.612 3.128 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.770 1.634 -0.799 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.002 1.723 -2.041 1.00 0.00 C ATOM 1216 C TYR A 77 -3.199 3.077 -2.698 1.00 0.00 C ATOM 1217 O TYR A 77 -2.322 3.577 -3.394 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.482 0.621 -2.992 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.022 0.748 -4.431 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.487 1.773 -5.249 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.139 -0.172 -4.976 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.080 1.880 -6.566 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.727 -0.072 -6.294 1.00 0.00 C ATOM 1224 CZ TYR A 77 -2.200 0.956 -7.082 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.792 1.056 -8.392 1.00 0.00 O ATOM 0 H TYR A 77 -4.279 0.757 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.942 1.600 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.143 -0.340 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.572 0.604 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.179 2.499 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.767 -0.979 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.450 2.683 -7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.038 -0.796 -6.703 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.170 0.327 -8.598 1.00 0.00 H new ATOM 1235 N THR A 78 -4.359 3.664 -2.495 1.00 0.00 N ATOM 1236 CA THR A 78 -4.630 4.954 -3.079 1.00 0.00 C ATOM 1237 C THR A 78 -4.109 6.063 -2.183 1.00 0.00 C ATOM 1238 O THR A 78 -3.623 7.091 -2.657 1.00 0.00 O ATOM 1239 CB THR A 78 -6.107 5.126 -3.359 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.606 4.017 -4.087 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.373 6.353 -4.173 1.00 0.00 C ATOM 0 H THR A 78 -5.118 3.273 -1.937 1.00 0.00 H new ATOM 0 HA THR A 78 -4.106 5.013 -4.033 1.00 0.00 H new ATOM 0 HB THR A 78 -6.602 5.210 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.078 3.412 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.444 6.444 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.021 7.232 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.849 6.278 -5.126 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.193 5.832 -0.881 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.714 6.791 0.097 1.00 0.00 C ATOM 1251 C GLN A 79 -2.238 7.063 -0.143 1.00 0.00 C ATOM 1252 O GLN A 79 -1.782 8.205 -0.080 1.00 0.00 O ATOM 1253 CB GLN A 79 -3.929 6.260 1.512 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.262 6.668 2.114 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.166 7.922 2.962 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -4.367 8.884 2.513 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -5.805 8.027 4.009 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.591 4.984 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.274 7.720 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.863 5.172 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.124 6.620 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.982 6.831 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.645 5.850 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.407 7.264 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.732 8.877 4.568 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.499 5.997 -0.434 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.080 6.106 -0.702 1.00 0.00 C ATOM 1268 C ILE A 80 0.183 7.049 -1.846 1.00 0.00 C ATOM 1269 O ILE A 80 1.024 7.933 -1.748 1.00 0.00 O ATOM 1270 CB ILE A 80 0.580 4.759 -1.052 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -0.394 3.719 -1.577 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.255 4.210 0.152 1.00 0.00 C ATOM 1273 CD1 ILE A 80 0.095 3.007 -2.816 1.00 0.00 C ATOM 0 H ILE A 80 -1.866 5.047 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 80 0.355 6.480 0.225 1.00 0.00 H new ATOM 0 HB ILE A 80 1.291 4.967 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.584 2.983 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.346 4.202 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.722 3.257 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.018 4.910 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.521 4.060 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.651 2.279 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.257 3.733 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.031 2.495 -2.596 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.532 6.849 -2.938 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.349 7.684 -4.102 1.00 0.00 C ATOM 1287 C GLN A 81 -0.596 9.141 -3.750 1.00 0.00 C ATOM 1288 O GLN A 81 -0.064 10.037 -4.388 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.274 7.239 -5.231 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.765 6.015 -5.972 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.039 6.372 -7.254 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -0.316 7.400 -7.872 1.00 0.00 O ATOM 1293 NE2 GLN A 81 0.897 5.522 -7.661 1.00 0.00 N ATOM 0 H GLN A 81 -1.239 6.120 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 81 0.681 7.581 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.260 7.023 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.395 8.060 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.093 5.454 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.605 5.360 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.094 4.682 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.419 5.710 -8.517 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.395 9.368 -2.719 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.700 10.723 -2.284 1.00 0.00 C ATOM 1304 C LYS A 82 -0.560 11.338 -1.520 1.00 0.00 C ATOM 1305 O LYS A 82 -0.205 12.489 -1.746 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.961 10.742 -1.426 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.109 11.469 -2.080 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.809 10.577 -3.090 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.318 10.597 -2.907 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.983 11.511 -3.877 1.00 0.00 N ATOM 0 H LYS A 82 -1.843 8.635 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.864 11.317 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.263 9.717 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.736 11.215 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.820 11.793 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.741 12.367 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.560 10.905 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.444 9.555 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.712 9.588 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.556 10.911 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.011 11.496 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.626 12.479 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.777 11.197 -4.847 1.00 0.00 H new ATOM 1324 N ASP A 83 0.030 10.567 -0.643 1.00 0.00 N ATOM 1325 CA ASP A 83 1.155 11.047 0.122 1.00 0.00 C ATOM 1326 C ASP A 83 2.350 11.050 -0.797 1.00 0.00 C ATOM 1327 O ASP A 83 3.265 11.869 -0.693 1.00 0.00 O ATOM 1328 CB ASP A 83 1.417 10.136 1.315 1.00 0.00 C ATOM 1329 CG ASP A 83 0.230 10.045 2.254 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.817 9.508 1.836 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.347 10.513 3.407 1.00 0.00 O ATOM 0 H ASP A 83 -0.248 9.607 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 83 0.956 12.047 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.669 9.138 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.283 10.505 1.865 1.00 0.00 H new ATOM 1336 N ILE A 84 2.290 10.107 -1.721 1.00 0.00 N ATOM 1337 CA ILE A 84 3.295 9.918 -2.720 1.00 0.00 C ATOM 1338 C ILE A 84 3.428 11.170 -3.588 1.00 0.00 C ATOM 1339 O ILE A 84 4.509 11.753 -3.669 1.00 0.00 O ATOM 1340 CB ILE A 84 2.933 8.680 -3.582 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.352 7.362 -2.919 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.563 8.780 -4.939 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.013 7.544 -1.588 1.00 0.00 C ATOM 0 H ILE A 84 1.519 9.443 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 84 4.258 9.745 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 84 1.847 8.674 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.472 6.732 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.033 6.831 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.298 7.903 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.203 9.678 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.647 8.832 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.282 6.570 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.912 8.148 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.327 8.047 -0.907 1.00 0.00 H new ATOM 1355 N LYS A 85 2.335 11.595 -4.236 1.00 0.00 N ATOM 1356 CA LYS A 85 2.405 12.782 -5.068 1.00 0.00 C ATOM 1357 C LYS A 85 2.424 14.011 -4.198 1.00 0.00 C ATOM 1358 O LYS A 85 3.045 15.020 -4.531 1.00 0.00 O ATOM 1359 CB LYS A 85 1.240 12.914 -6.054 1.00 0.00 C ATOM 1360 CG LYS A 85 0.513 11.641 -6.402 1.00 0.00 C ATOM 1361 CD LYS A 85 1.457 10.465 -6.591 1.00 0.00 C ATOM 1362 CE LYS A 85 2.648 10.800 -7.476 1.00 0.00 C ATOM 1363 NZ LYS A 85 2.265 11.623 -8.657 1.00 0.00 N ATOM 0 H LYS A 85 1.421 11.143 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 85 3.321 12.685 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.518 13.618 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.620 13.354 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.201 11.407 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.061 11.792 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.816 10.133 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.908 9.631 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.394 11.337 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.115 9.876 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.753 11.265 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.237 11.567 -8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.538 12.613 -8.493 1.00 0.00 H new ATOM 1377 N ASN A 86 1.714 13.926 -3.084 1.00 0.00 N ATOM 1378 CA ASN A 86 1.634 15.057 -2.174 1.00 0.00 C ATOM 1379 C ASN A 86 3.016 15.444 -1.651 1.00 0.00 C ATOM 1380 O ASN A 86 3.196 16.529 -1.100 1.00 0.00 O ATOM 1381 CB ASN A 86 0.697 14.762 -1.000 1.00 0.00 C ATOM 1382 CG ASN A 86 0.675 15.880 0.026 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.872 17.049 -0.307 1.00 0.00 O ATOM 1384 ND2 ASN A 86 0.433 15.525 1.283 1.00 0.00 N ATOM 0 H ASN A 86 1.193 13.100 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 86 1.227 15.896 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.313 14.601 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.008 13.836 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.405 16.233 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.275 14.544 1.515 1.00 0.00 H new ATOM 1391 N GLY A 87 3.984 14.543 -1.800 1.00 0.00 N ATOM 1392 CA GLY A 87 5.320 14.812 -1.307 1.00 0.00 C ATOM 1393 C GLY A 87 5.403 14.576 0.178 1.00 0.00 C ATOM 1394 O GLY A 87 6.248 15.146 0.868 1.00 0.00 O ATOM 0 H GLY A 87 3.866 13.636 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.037 14.173 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.594 15.843 -1.531 1.00 0.00 H new ATOM 1398 N ASN A 88 4.542 13.689 0.660 1.00 0.00 N ATOM 1399 CA ASN A 88 4.528 13.316 2.052 1.00 0.00 C ATOM 1400 C ASN A 88 5.449 12.130 2.198 1.00 0.00 C ATOM 1401 O ASN A 88 5.983 11.849 3.271 1.00 0.00 O ATOM 1402 CB ASN A 88 3.112 12.962 2.511 1.00 0.00 C ATOM 1403 CG ASN A 88 2.535 13.994 3.462 1.00 0.00 C ATOM 1404 OD1 ASN A 88 3.046 15.109 3.571 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.467 13.625 4.158 1.00 0.00 N ATOM 0 H ASN A 88 3.840 13.214 0.092 1.00 0.00 H new ATOM 0 HA ASN A 88 4.862 14.146 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.463 12.872 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.125 11.988 3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.037 14.276 4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.077 12.691 4.036 1.00 0.00 H new ATOM 1412 N ILE A 89 5.631 11.445 1.073 1.00 0.00 N ATOM 1413 CA ILE A 89 6.468 10.306 0.985 1.00 0.00 C ATOM 1414 C ILE A 89 7.711 10.673 0.232 1.00 0.00 C ATOM 1415 O ILE A 89 7.819 11.757 -0.342 1.00 0.00 O ATOM 1416 CB ILE A 89 5.689 9.189 0.288 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.473 8.784 1.121 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.571 8.013 0.027 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.695 8.870 2.615 1.00 0.00 C ATOM 0 H ILE A 89 5.180 11.691 0.192 1.00 0.00 H new ATOM 0 HA ILE A 89 6.767 9.954 1.973 1.00 0.00 H new ATOM 0 HB ILE A 89 5.335 9.564 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.632 9.423 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.193 7.762 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.997 7.231 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.401 8.315 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.961 7.634 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.787 8.567 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.514 8.210 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.944 9.896 2.887 1.00 0.00 H new ATOM 1431 N ASP A 90 8.656 9.783 0.279 1.00 0.00 N ATOM 1432 CA ASP A 90 9.911 9.992 -0.338 1.00 0.00 C ATOM 1433 C ASP A 90 9.862 9.508 -1.763 1.00 0.00 C ATOM 1434 O ASP A 90 10.645 8.663 -2.172 1.00 0.00 O ATOM 1435 CB ASP A 90 10.931 9.236 0.497 1.00 0.00 C ATOM 1436 CG ASP A 90 11.082 9.836 1.880 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.168 9.649 2.709 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.110 10.497 2.136 1.00 0.00 O ATOM 0 H ASP A 90 8.567 8.885 0.754 1.00 0.00 H new ATOM 0 HA ASP A 90 10.183 11.047 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.628 8.193 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.895 9.246 -0.011 1.00 0.00 H new ATOM 1443 N THR A 91 8.906 10.043 -2.506 1.00 0.00 N ATOM 1444 CA THR A 91 8.714 9.652 -3.880 1.00 0.00 C ATOM 1445 C THR A 91 9.975 9.814 -4.704 1.00 0.00 C ATOM 1446 O THR A 91 10.240 9.009 -5.594 1.00 0.00 O ATOM 1447 CB THR A 91 7.549 10.403 -4.491 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.245 11.571 -3.749 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.315 9.547 -4.545 1.00 0.00 C ATOM 0 H THR A 91 8.252 10.751 -2.172 1.00 0.00 H new ATOM 0 HA THR A 91 8.475 8.589 -3.887 1.00 0.00 H new ATOM 0 HB THR A 91 7.851 10.676 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.286 11.760 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.497 10.115 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.512 8.662 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.039 9.242 -3.536 1.00 0.00 H new ATOM 1457 N GLU A 92 10.783 10.818 -4.389 1.00 0.00 N ATOM 1458 CA GLU A 92 12.030 10.990 -5.103 1.00 0.00 C ATOM 1459 C GLU A 92 12.892 9.784 -4.802 1.00 0.00 C ATOM 1460 O GLU A 92 13.637 9.299 -5.649 1.00 0.00 O ATOM 1461 CB GLU A 92 12.739 12.285 -4.696 1.00 0.00 C ATOM 1462 CG GLU A 92 11.795 13.459 -4.491 1.00 0.00 C ATOM 1463 CD GLU A 92 12.464 14.796 -4.748 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.189 15.279 -3.853 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.262 15.361 -5.843 1.00 0.00 O ATOM 0 H GLU A 92 10.599 11.508 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 92 11.839 11.069 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.294 12.111 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.468 12.546 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.938 13.352 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.412 13.439 -3.471 1.00 0.00 H new ATOM 1472 N LYS A 93 12.729 9.281 -3.586 1.00 0.00 N ATOM 1473 CA LYS A 93 13.423 8.102 -3.138 1.00 0.00 C ATOM 1474 C LYS A 93 12.707 6.877 -3.688 1.00 0.00 C ATOM 1475 O LYS A 93 13.331 5.952 -4.207 1.00 0.00 O ATOM 1476 CB LYS A 93 13.489 8.087 -1.612 1.00 0.00 C ATOM 1477 CG LYS A 93 14.440 9.146 -1.062 1.00 0.00 C ATOM 1478 CD LYS A 93 13.812 10.110 -0.053 1.00 0.00 C ATOM 1479 CE LYS A 93 12.703 10.975 -0.669 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.252 12.161 -1.384 1.00 0.00 N ATOM 0 H LYS A 93 12.107 9.688 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 93 14.449 8.097 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.491 8.252 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.811 7.102 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.284 8.645 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.839 9.724 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.401 9.540 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.588 10.758 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.117 10.373 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.024 11.307 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.505 12.593 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.596 12.856 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.038 11.864 -1.996 1.00 0.00 H new ATOM 1494 N LEU A 94 11.379 6.913 -3.612 1.00 0.00 N ATOM 1495 CA LEU A 94 10.544 5.852 -4.140 1.00 0.00 C ATOM 1496 C LEU A 94 10.878 5.613 -5.584 1.00 0.00 C ATOM 1497 O LEU A 94 10.886 4.486 -6.053 1.00 0.00 O ATOM 1498 CB LEU A 94 9.085 6.239 -4.044 1.00 0.00 C ATOM 1499 CG LEU A 94 8.578 6.394 -2.641 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.128 6.844 -2.658 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.753 5.091 -1.905 1.00 0.00 C ATOM 0 H LEU A 94 10.859 7.678 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 94 10.725 4.949 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.934 7.177 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.487 5.483 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 94 9.150 7.161 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.769 6.954 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.050 7.801 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.523 6.101 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.386 5.198 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.190 4.308 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.810 4.824 -1.885 1.00 0.00 H new ATOM 1513 N ARG A 95 11.138 6.698 -6.294 1.00 0.00 N ATOM 1514 CA ARG A 95 11.464 6.599 -7.690 1.00 0.00 C ATOM 1515 C ARG A 95 12.787 5.893 -7.888 1.00 0.00 C ATOM 1516 O ARG A 95 12.885 4.953 -8.659 1.00 0.00 O ATOM 1517 CB ARG A 95 11.505 7.986 -8.330 1.00 0.00 C ATOM 1518 CG ARG A 95 10.552 8.127 -9.498 1.00 0.00 C ATOM 1519 CD ARG A 95 10.864 9.355 -10.338 1.00 0.00 C ATOM 1520 NE ARG A 95 9.770 10.323 -10.319 1.00 0.00 N ATOM 1521 CZ ARG A 95 8.562 10.090 -10.828 1.00 0.00 C ATOM 1522 NH1 ARG A 95 8.289 8.924 -11.399 1.00 0.00 N ATOM 1523 NH2 ARG A 95 7.625 11.025 -10.767 1.00 0.00 N ATOM 0 H ARG A 95 11.128 7.648 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 95 10.686 6.011 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.261 8.735 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.520 8.194 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.609 7.236 -10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.529 8.191 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.773 9.828 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.061 9.051 -11.366 1.00 0.00 H new ATOM 0 HE ARG A 95 9.942 11.232 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.006 8.201 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.362 8.751 -11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.829 11.924 -10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.700 10.846 -11.157 1.00 0.00 H new ATOM 1537 N LYS A 96 13.800 6.328 -7.175 1.00 0.00 N ATOM 1538 CA LYS A 96 15.108 5.708 -7.309 1.00 0.00 C ATOM 1539 C LYS A 96 15.034 4.246 -6.936 1.00 0.00 C ATOM 1540 O LYS A 96 15.810 3.420 -7.419 1.00 0.00 O ATOM 1541 CB LYS A 96 16.137 6.443 -6.464 1.00 0.00 C ATOM 1542 CG LYS A 96 16.122 7.935 -6.718 1.00 0.00 C ATOM 1543 CD LYS A 96 16.295 8.248 -8.192 1.00 0.00 C ATOM 1544 CE LYS A 96 17.605 7.698 -8.734 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.961 8.305 -10.047 1.00 0.00 N ATOM 0 H LYS A 96 13.752 7.096 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 96 15.425 5.776 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.941 6.253 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.130 6.049 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.181 8.356 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.920 8.411 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.462 7.825 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.264 9.327 -8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.403 7.889 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.527 6.616 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.860 7.904 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.211 8.101 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.061 9.334 -9.938 1.00 0.00 H new ATOM 1559 N TYR A 97 14.073 3.931 -6.090 1.00 0.00 N ATOM 1560 CA TYR A 97 13.867 2.578 -5.660 1.00 0.00 C ATOM 1561 C TYR A 97 13.031 1.810 -6.684 1.00 0.00 C ATOM 1562 O TYR A 97 13.471 0.800 -7.224 1.00 0.00 O ATOM 1563 CB TYR A 97 13.193 2.565 -4.283 1.00 0.00 C ATOM 1564 CG TYR A 97 12.779 1.187 -3.866 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.677 0.134 -3.948 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.494 0.930 -3.427 1.00 0.00 C ATOM 1567 CE1 TYR A 97 13.307 -1.146 -3.605 1.00 0.00 C ATOM 1568 CE2 TYR A 97 11.119 -0.356 -3.079 1.00 0.00 C ATOM 1569 CZ TYR A 97 12.026 -1.388 -3.173 1.00 0.00 C ATOM 1570 OH TYR A 97 11.650 -2.665 -2.827 1.00 0.00 O ATOM 0 H TYR A 97 13.422 4.606 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 97 14.834 2.082 -5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 97 13.878 2.976 -3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.318 3.215 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.685 0.322 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 97 10.779 1.736 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 97 14.019 -1.955 -3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.114 -0.550 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 97 12.428 -3.154 -2.485 1.00 0.00 H new ATOM 1580 N GLU A 98 11.832 2.312 -6.958 1.00 0.00 N ATOM 1581 CA GLU A 98 10.932 1.695 -7.913 1.00 0.00 C ATOM 1582 C GLU A 98 11.604 1.580 -9.262 1.00 0.00 C ATOM 1583 O GLU A 98 11.425 0.589 -9.970 1.00 0.00 O ATOM 1584 CB GLU A 98 9.643 2.510 -8.039 1.00 0.00 C ATOM 1585 CG GLU A 98 8.776 2.478 -6.792 1.00 0.00 C ATOM 1586 CD GLU A 98 7.547 3.357 -6.912 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.722 3.103 -7.815 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.409 4.299 -6.104 1.00 0.00 O ATOM 0 H GLU A 98 11.461 3.157 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 98 10.680 0.697 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.899 3.545 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.065 2.132 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.466 1.452 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.367 2.801 -5.935 1.00 0.00 H new ATOM 1595 N ILE A 99 12.402 2.582 -9.609 1.00 0.00 N ATOM 1596 CA ILE A 99 13.109 2.541 -10.870 1.00 0.00 C ATOM 1597 C ILE A 99 14.066 1.381 -10.842 1.00 0.00 C ATOM 1598 O ILE A 99 14.132 0.567 -11.762 1.00 0.00 O ATOM 1599 CB ILE A 99 13.915 3.821 -11.163 1.00 0.00 C ATOM 1600 CG1 ILE A 99 13.038 5.046 -11.002 1.00 0.00 C ATOM 1601 CG2 ILE A 99 14.509 3.764 -12.559 1.00 0.00 C ATOM 1602 CD1 ILE A 99 13.809 6.346 -10.965 1.00 0.00 C ATOM 0 H ILE A 99 12.570 3.414 -9.044 1.00 0.00 H new ATOM 0 HA ILE A 99 12.358 2.443 -11.654 1.00 0.00 H new ATOM 0 HB ILE A 99 14.733 3.890 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.324 5.081 -11.825 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.461 4.950 -10.082 1.00 0.00 H new ATOM 0 HG21 ILE A 99 15.075 4.675 -12.751 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.171 2.902 -12.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 13.707 3.674 -13.292 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.114 7.178 -10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.504 6.333 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.365 6.466 -11.895 1.00 0.00 H new ATOM 1614 N ALA A 100 14.796 1.322 -9.746 1.00 0.00 N ATOM 1615 CA ALA A 100 15.766 0.260 -9.528 1.00 0.00 C ATOM 1616 C ALA A 100 15.087 -1.081 -9.295 1.00 0.00 C ATOM 1617 O ALA A 100 15.751 -2.109 -9.160 1.00 0.00 O ATOM 1618 CB ALA A 100 16.680 0.601 -8.363 1.00 0.00 C ATOM 0 H ALA A 100 14.737 2.000 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 100 16.367 0.174 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.398 -0.206 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.213 1.527 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.085 0.726 -7.458 1.00 0.00 H new ATOM 1624 N LYS A 101 13.764 -1.067 -9.238 1.00 0.00 N ATOM 1625 CA LYS A 101 13.001 -2.267 -9.011 1.00 0.00 C ATOM 1626 C LYS A 101 12.267 -2.715 -10.270 1.00 0.00 C ATOM 1627 O LYS A 101 12.139 -3.909 -10.538 1.00 0.00 O ATOM 1628 CB LYS A 101 12.017 -2.011 -7.891 1.00 0.00 C ATOM 1629 CG LYS A 101 12.677 -1.841 -6.537 1.00 0.00 C ATOM 1630 CD LYS A 101 13.678 -2.940 -6.247 1.00 0.00 C ATOM 1631 CE LYS A 101 13.026 -4.311 -6.263 1.00 0.00 C ATOM 1632 NZ LYS A 101 13.940 -5.369 -5.748 1.00 0.00 N ATOM 0 H LYS A 101 13.199 -0.225 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 101 13.684 -3.071 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.441 -1.115 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.311 -2.840 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.180 -0.875 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.912 -1.834 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.478 -2.909 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.137 -2.767 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.120 -4.289 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.724 -4.557 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.456 -6.289 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.794 -5.409 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.209 -5.149 -4.768 1.00 0.00 H new ATOM 1646 N GLY A 102 11.787 -1.745 -11.032 1.00 0.00 N ATOM 1647 CA GLY A 102 11.067 -2.044 -12.258 1.00 0.00 C ATOM 1648 C GLY A 102 9.602 -2.356 -12.011 1.00 0.00 C ATOM 1649 O GLY A 102 9.033 -3.242 -12.650 1.00 0.00 O ATOM 0 H GLY A 102 11.882 -0.751 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.145 -1.195 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.537 -2.893 -12.754 1.00 0.00 H new ATOM 1653 N LEU A 103 8.995 -1.631 -11.077 1.00 0.00 N ATOM 1654 CA LEU A 103 7.589 -1.838 -10.736 1.00 0.00 C ATOM 1655 C LEU A 103 6.669 -0.974 -11.597 1.00 0.00 C ATOM 1656 O LEU A 103 7.058 -0.509 -12.668 1.00 0.00 O ATOM 1657 CB LEU A 103 7.356 -1.532 -9.256 1.00 0.00 C ATOM 1658 CG LEU A 103 8.456 -2.019 -8.312 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.874 -0.905 -7.370 1.00 0.00 C ATOM 1660 CD2 LEU A 103 7.987 -3.236 -7.530 1.00 0.00 C ATOM 0 H LEU A 103 9.454 -0.894 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 103 7.350 -2.883 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.247 -0.454 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.412 -1.983 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 103 9.322 -2.309 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.658 -1.266 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.250 -0.061 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.015 -0.586 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.783 -3.569 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.107 -2.974 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.735 -4.039 -8.223 1.00 0.00 H new