USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 34 SER OG : rot 178:sc= 0.649 USER MOD Set 1.2: A 36 ASN : amide:sc= 0.703 X(o=1.4,f=0.98) USER MOD Single : A 1 MET CE :methyl 176:sc= -0.107 (180deg=-0.148) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.214 (180deg=-1.01) USER MOD Single : A 8 SER OG : rot -133:sc= 1.09 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 62:sc= 1.24 USER MOD Single : A 16 MET CE :methyl -114:sc= -0.124 (180deg=-0.806) USER MOD Single : A 18 SER OG : rot -138:sc= 0.372 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.664 USER MOD Single : A 42 ASN : amide:sc= -0.485 K(o=-0.49,f=-2.1!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00597 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.13 (180deg=-0.147) USER MOD Single : A 56 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.22) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 108:sc= 0.527 USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= 1.23 (180deg=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -24:sc= 0.516 USER MOD Single : A 70 ASN : amide:sc= 0.122 K(o=0.12,f=-3.5!) USER MOD Single : A 74 ASN : amide:sc=-0.00621 X(o=-0.0062,f=-0.35) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -105:sc= -0.235 (180deg=-0.877) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= 0 (180deg=-7.19e-05) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 95 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.2) USER MOD Single : A 102 SER OG : rot -73:sc= 1.03 USER MOD Single : A 110 THR OG1 : rot -160:sc= 1.32 USER MOD Single : A 111 THR OG1 : rot -44:sc= 0.422 USER MOD Single : A 113 THR OG1 : rot -96:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.130 -0.959 12.089 1.00 0.00 N ATOM 2 CA MET A 1 12.176 -2.350 11.609 1.00 0.00 C ATOM 3 C MET A 1 10.737 -2.806 11.393 1.00 0.00 C ATOM 4 O MET A 1 9.998 -3.000 12.359 1.00 0.00 O ATOM 5 CB MET A 1 12.949 -3.247 12.592 1.00 0.00 C ATOM 6 CG MET A 1 14.391 -2.756 12.807 1.00 0.00 C ATOM 7 SD MET A 1 15.271 -3.464 14.224 1.00 0.00 S ATOM 8 CE MET A 1 15.694 -5.097 13.579 1.00 0.00 C ATOM 0 H1 MET A 1 12.986 -0.456 11.778 1.00 0.00 H new ATOM 0 H2 MET A 1 11.290 -0.485 11.700 1.00 0.00 H new ATOM 0 H3 MET A 1 12.082 -0.952 13.128 1.00 0.00 H new ATOM 0 HA MET A 1 12.718 -2.422 10.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.427 -3.270 13.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.966 -4.269 12.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.964 -2.970 11.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.371 -1.672 12.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.302 -5.631 14.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.781 -5.660 13.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.255 -4.987 12.651 1.00 0.00 H new ATOM 18 N ALA A 2 10.292 -2.852 10.135 1.00 0.00 N ATOM 19 CA ALA A 2 8.927 -3.154 9.727 1.00 0.00 C ATOM 20 C ALA A 2 8.939 -3.529 8.255 1.00 0.00 C ATOM 21 O ALA A 2 9.801 -3.067 7.512 1.00 0.00 O ATOM 22 CB ALA A 2 8.076 -1.886 9.851 1.00 0.00 C ATOM 0 H ALA A 2 10.905 -2.671 9.340 1.00 0.00 H new ATOM 0 HA ALA A 2 8.530 -3.958 10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.052 -2.104 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.082 -1.543 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.487 -1.108 9.208 1.00 0.00 H new ATOM 28 N ARG A 3 7.913 -4.236 7.793 1.00 0.00 N ATOM 29 CA ARG A 3 7.578 -4.230 6.384 1.00 0.00 C ATOM 30 C ARG A 3 6.802 -2.959 6.064 1.00 0.00 C ATOM 31 O ARG A 3 6.090 -2.467 6.943 1.00 0.00 O ATOM 32 CB ARG A 3 6.818 -5.531 6.080 1.00 0.00 C ATOM 33 CG ARG A 3 7.878 -6.636 6.013 1.00 0.00 C ATOM 34 CD ARG A 3 7.395 -8.047 5.698 1.00 0.00 C ATOM 35 NE ARG A 3 7.143 -8.890 6.881 1.00 0.00 N ATOM 36 CZ ARG A 3 6.894 -10.206 6.828 1.00 0.00 C ATOM 37 NH1 ARG A 3 6.999 -10.877 5.687 1.00 0.00 N ATOM 38 NH2 ARG A 3 6.511 -10.883 7.906 1.00 0.00 N ATOM 0 H ARG A 3 7.306 -4.815 8.373 1.00 0.00 H new ATOM 0 HA ARG A 3 8.458 -4.212 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.082 -5.743 6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.275 -5.454 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.612 -6.354 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.399 -6.663 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.477 -7.980 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.138 -8.539 5.070 1.00 0.00 H new ATOM 0 HE ARG A 3 7.159 -8.443 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.273 -10.391 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.806 -11.878 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.401 -10.401 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.327 -11.884 7.841 1.00 0.00 H new ATOM 52 N VAL A 4 6.939 -2.453 4.834 1.00 0.00 N ATOM 53 CA VAL A 4 6.108 -1.433 4.186 1.00 0.00 C ATOM 54 C VAL A 4 5.438 -2.145 3.002 1.00 0.00 C ATOM 55 O VAL A 4 6.002 -3.105 2.473 1.00 0.00 O ATOM 56 CB VAL A 4 6.995 -0.221 3.809 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.524 -0.308 2.390 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.356 1.153 3.963 1.00 0.00 C ATOM 0 H VAL A 4 7.689 -2.769 4.220 1.00 0.00 H new ATOM 0 HA VAL A 4 5.327 -1.015 4.822 1.00 0.00 H new ATOM 0 HB VAL A 4 7.796 -0.298 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.140 0.566 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.125 -1.211 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.688 -0.342 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.071 1.922 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.473 1.217 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.066 1.305 5.003 1.00 0.00 H new ATOM 68 N ALA A 5 4.243 -1.719 2.582 1.00 0.00 N ATOM 69 CA ALA A 5 3.544 -2.277 1.433 1.00 0.00 C ATOM 70 C ALA A 5 3.336 -1.129 0.452 1.00 0.00 C ATOM 71 O ALA A 5 3.069 -0.005 0.881 1.00 0.00 O ATOM 72 CB ALA A 5 2.206 -2.876 1.875 1.00 0.00 C ATOM 0 H ALA A 5 3.731 -0.966 3.041 1.00 0.00 H new ATOM 0 HA ALA A 5 4.115 -3.079 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.690 -3.291 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.384 -3.666 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.590 -2.098 2.326 1.00 0.00 H new ATOM 78 N ILE A 6 3.421 -1.378 -0.851 1.00 0.00 N ATOM 79 CA ILE A 6 3.254 -0.345 -1.866 1.00 0.00 C ATOM 80 C ILE A 6 2.335 -0.908 -2.952 1.00 0.00 C ATOM 81 O ILE A 6 2.649 -1.955 -3.520 1.00 0.00 O ATOM 82 CB ILE A 6 4.591 0.148 -2.444 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.628 0.503 -1.362 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.357 1.365 -3.356 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.542 -0.680 -1.002 1.00 0.00 C ATOM 0 H ILE A 6 3.608 -2.305 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 6 2.806 0.538 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 6 5.003 -0.681 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.239 1.336 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.109 0.842 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.310 1.706 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.696 1.084 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.899 2.169 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.252 -0.371 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.938 -1.505 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.085 -1.004 -1.890 1.00 0.00 H new ATOM 97 N PRO A 7 1.197 -0.252 -3.223 1.00 0.00 N ATOM 98 CA PRO A 7 0.248 -0.615 -4.248 1.00 0.00 C ATOM 99 C PRO A 7 0.884 -0.342 -5.612 1.00 0.00 C ATOM 100 O PRO A 7 1.084 0.816 -5.960 1.00 0.00 O ATOM 101 CB PRO A 7 -0.973 0.267 -3.943 1.00 0.00 C ATOM 102 CG PRO A 7 -0.449 1.506 -3.243 1.00 0.00 C ATOM 103 CD PRO A 7 0.825 1.010 -2.626 1.00 0.00 C ATOM 0 HA PRO A 7 -0.044 -1.665 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.498 0.533 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.685 -0.263 -3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.271 2.323 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.148 1.875 -2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.620 1.741 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.697 0.890 -1.550 1.00 0.00 H new ATOM 111 N SER A 8 1.215 -1.377 -6.372 1.00 0.00 N ATOM 112 CA SER A 8 1.838 -1.314 -7.686 1.00 0.00 C ATOM 113 C SER A 8 0.810 -1.788 -8.726 1.00 0.00 C ATOM 114 O SER A 8 -0.219 -2.379 -8.374 1.00 0.00 O ATOM 115 CB SER A 8 3.070 -2.233 -7.625 1.00 0.00 C ATOM 116 OG SER A 8 3.720 -2.373 -8.873 1.00 0.00 O ATOM 0 H SER A 8 1.046 -2.337 -6.071 1.00 0.00 H new ATOM 0 HA SER A 8 2.151 -0.309 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.777 -1.835 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.765 -3.217 -7.269 1.00 0.00 H new ATOM 0 HG SER A 8 3.903 -3.321 -9.042 1.00 0.00 H new ATOM 122 N VAL A 9 1.108 -1.597 -10.014 1.00 0.00 N ATOM 123 CA VAL A 9 0.396 -2.253 -11.110 1.00 0.00 C ATOM 124 C VAL A 9 1.376 -2.953 -12.064 1.00 0.00 C ATOM 125 O VAL A 9 1.100 -3.073 -13.257 1.00 0.00 O ATOM 126 CB VAL A 9 -0.499 -1.225 -11.832 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.576 -0.686 -10.890 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.280 -0.040 -12.427 1.00 0.00 C ATOM 0 H VAL A 9 1.856 -0.978 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.249 -3.034 -10.708 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.954 -1.768 -12.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.195 0.037 -11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.199 -1.509 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.103 -0.201 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.414 0.641 -12.919 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.804 0.488 -11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.003 -0.409 -13.154 1.00 0.00 H new ATOM 138 N GLY A 10 2.441 -3.544 -11.520 1.00 0.00 N ATOM 139 CA GLY A 10 3.350 -4.448 -12.210 1.00 0.00 C ATOM 140 C GLY A 10 4.249 -5.151 -11.197 1.00 0.00 C ATOM 141 O GLY A 10 4.170 -4.862 -9.995 1.00 0.00 O ATOM 0 H GLY A 10 2.701 -3.397 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.783 -5.185 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.957 -3.892 -12.925 1.00 0.00 H new ATOM 145 N LYS A 11 5.103 -6.064 -11.671 1.00 0.00 N ATOM 146 CA LYS A 11 5.826 -7.018 -10.821 1.00 0.00 C ATOM 147 C LYS A 11 7.334 -6.781 -10.861 1.00 0.00 C ATOM 148 O LYS A 11 8.126 -7.719 -10.795 1.00 0.00 O ATOM 149 CB LYS A 11 5.412 -8.466 -11.149 1.00 0.00 C ATOM 150 CG LYS A 11 5.564 -8.847 -12.625 1.00 0.00 C ATOM 151 CD LYS A 11 5.367 -10.351 -12.866 1.00 0.00 C ATOM 152 CE LYS A 11 3.936 -10.811 -12.558 1.00 0.00 C ATOM 153 NZ LYS A 11 3.739 -12.242 -12.864 1.00 0.00 N ATOM 0 H LYS A 11 5.314 -6.163 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 11 5.539 -6.847 -9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.012 -9.148 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.373 -8.610 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.839 -8.289 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.554 -8.553 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.605 -10.584 -13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.067 -10.910 -12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.716 -10.631 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.231 -10.215 -13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.760 -12.513 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.924 -12.410 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.394 -12.813 -12.292 1.00 0.00 H new ATOM 167 N ASP A 12 7.714 -5.509 -10.891 1.00 0.00 N ATOM 168 CA ASP A 12 9.084 -5.012 -10.836 1.00 0.00 C ATOM 169 C ASP A 12 9.111 -3.780 -9.937 1.00 0.00 C ATOM 170 O ASP A 12 8.112 -3.065 -9.803 1.00 0.00 O ATOM 171 CB ASP A 12 9.575 -4.602 -12.233 1.00 0.00 C ATOM 172 CG ASP A 12 10.167 -5.720 -13.088 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.721 -6.706 -12.562 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.063 -5.596 -14.331 1.00 0.00 O ATOM 0 H ASP A 12 7.034 -4.752 -10.958 1.00 0.00 H new ATOM 0 HA ASP A 12 9.731 -5.801 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.739 -4.160 -12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.328 -3.822 -12.118 1.00 0.00 H new ATOM 179 N LEU A 13 10.293 -3.446 -9.427 1.00 0.00 N ATOM 180 CA LEU A 13 10.574 -2.313 -8.542 1.00 0.00 C ATOM 181 C LEU A 13 10.548 -0.989 -9.316 1.00 0.00 C ATOM 182 O LEU A 13 10.595 0.093 -8.739 1.00 0.00 O ATOM 183 CB LEU A 13 11.947 -2.603 -7.912 1.00 0.00 C ATOM 184 CG LEU A 13 12.316 -2.048 -6.523 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.364 -0.523 -6.495 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.426 -2.595 -5.399 1.00 0.00 C ATOM 0 H LEU A 13 11.132 -3.989 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 13 9.816 -2.203 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.052 -3.687 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.702 -2.242 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 13 13.326 -2.410 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.629 -0.186 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.111 -0.169 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.387 -0.123 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.737 -2.166 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.387 -2.328 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.520 -3.680 -5.356 1.00 0.00 H new ATOM 198 N SER A 14 10.390 -1.048 -10.635 1.00 0.00 N ATOM 199 CA SER A 14 10.087 0.123 -11.435 1.00 0.00 C ATOM 200 C SER A 14 8.796 -0.075 -12.223 1.00 0.00 C ATOM 201 O SER A 14 8.650 0.415 -13.347 1.00 0.00 O ATOM 202 CB SER A 14 11.279 0.408 -12.333 1.00 0.00 C ATOM 203 OG SER A 14 11.878 -0.767 -12.870 1.00 0.00 O ATOM 0 H SER A 14 10.469 -1.910 -11.174 1.00 0.00 H new ATOM 0 HA SER A 14 9.917 0.988 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.961 1.052 -13.153 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.027 0.961 -11.766 1.00 0.00 H new ATOM 0 HG SER A 14 12.636 -0.517 -13.439 1.00 0.00 H new ATOM 209 N SER A 15 7.811 -0.728 -11.610 1.00 0.00 N ATOM 210 CA SER A 15 6.463 -0.657 -12.158 1.00 0.00 C ATOM 211 C SER A 15 5.789 0.625 -11.667 1.00 0.00 C ATOM 212 O SER A 15 6.332 1.289 -10.788 1.00 0.00 O ATOM 213 CB SER A 15 5.634 -1.867 -11.730 1.00 0.00 C ATOM 214 OG SER A 15 6.394 -3.049 -11.827 1.00 0.00 O ATOM 0 H SER A 15 7.914 -1.291 -10.766 1.00 0.00 H new ATOM 0 HA SER A 15 6.528 -0.654 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.289 -1.734 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.746 -1.947 -12.358 1.00 0.00 H new ATOM 0 HG SER A 15 7.159 -2.997 -11.217 1.00 0.00 H new ATOM 220 N MET A 16 4.596 0.973 -12.146 1.00 0.00 N ATOM 221 CA MET A 16 3.907 2.163 -11.652 1.00 0.00 C ATOM 222 C MET A 16 3.246 1.857 -10.306 1.00 0.00 C ATOM 223 O MET A 16 2.742 0.751 -10.106 1.00 0.00 O ATOM 224 CB MET A 16 2.863 2.622 -12.683 1.00 0.00 C ATOM 225 CG MET A 16 3.391 3.790 -13.530 1.00 0.00 C ATOM 226 SD MET A 16 2.267 5.206 -13.644 1.00 0.00 S ATOM 227 CE MET A 16 2.126 5.670 -11.899 1.00 0.00 C ATOM 0 H MET A 16 4.092 0.456 -12.866 1.00 0.00 H new ATOM 0 HA MET A 16 4.627 2.969 -11.507 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.600 1.788 -13.334 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.951 2.926 -12.170 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.338 4.128 -13.110 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.600 3.427 -14.536 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.105 5.499 -11.558 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.812 5.066 -11.305 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.376 6.724 -11.782 1.00 0.00 H new ATOM 237 N VAL A 17 3.252 2.829 -9.387 1.00 0.00 N ATOM 238 CA VAL A 17 2.420 2.790 -8.178 1.00 0.00 C ATOM 239 C VAL A 17 0.948 3.019 -8.588 1.00 0.00 C ATOM 240 O VAL A 17 0.635 3.406 -9.719 1.00 0.00 O ATOM 241 CB VAL A 17 2.999 3.751 -7.092 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.241 3.897 -5.763 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.387 3.251 -6.692 1.00 0.00 C ATOM 0 H VAL A 17 3.833 3.664 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 17 2.439 1.814 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 17 2.949 4.722 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.770 4.598 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.235 4.270 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.179 2.926 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.807 3.911 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.308 2.241 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.037 3.244 -7.567 1.00 0.00 H new ATOM 253 N SER A 18 0.018 2.718 -7.686 1.00 0.00 N ATOM 254 CA SER A 18 -1.419 2.778 -7.905 1.00 0.00 C ATOM 255 C SER A 18 -2.035 3.760 -6.923 1.00 0.00 C ATOM 256 O SER A 18 -1.831 3.635 -5.713 1.00 0.00 O ATOM 257 CB SER A 18 -1.983 1.358 -7.758 1.00 0.00 C ATOM 258 OG SER A 18 -3.239 1.214 -8.386 1.00 0.00 O ATOM 0 H SER A 18 0.259 2.413 -6.743 1.00 0.00 H new ATOM 0 HA SER A 18 -1.660 3.137 -8.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.280 0.644 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.078 1.115 -6.700 1.00 0.00 H new ATOM 0 HG SER A 18 -3.836 0.694 -7.808 1.00 0.00 H new ATOM 264 N ASP A 19 -2.822 4.722 -7.418 1.00 0.00 N ATOM 265 CA ASP A 19 -3.379 5.815 -6.615 1.00 0.00 C ATOM 266 C ASP A 19 -4.626 5.341 -5.830 1.00 0.00 C ATOM 267 O ASP A 19 -5.596 6.079 -5.630 1.00 0.00 O ATOM 268 CB ASP A 19 -3.786 6.987 -7.540 1.00 0.00 C ATOM 269 CG ASP A 19 -2.634 7.731 -8.211 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.851 7.109 -8.958 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.562 8.975 -8.059 1.00 0.00 O ATOM 0 H ASP A 19 -3.093 4.763 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.616 6.141 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.446 6.601 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.365 7.702 -6.956 1.00 0.00 H new ATOM 276 N ARG A 20 -4.602 4.097 -5.344 1.00 0.00 N ATOM 277 CA ARG A 20 -5.727 3.331 -4.818 1.00 0.00 C ATOM 278 C ARG A 20 -5.084 2.121 -4.157 1.00 0.00 C ATOM 279 O ARG A 20 -4.551 1.276 -4.862 1.00 0.00 O ATOM 280 CB ARG A 20 -6.694 2.867 -5.950 1.00 0.00 C ATOM 281 CG ARG A 20 -6.136 2.945 -7.391 1.00 0.00 C ATOM 282 CD ARG A 20 -7.108 2.503 -8.495 1.00 0.00 C ATOM 283 NE ARG A 20 -7.510 3.649 -9.335 1.00 0.00 N ATOM 284 CZ ARG A 20 -6.815 4.178 -10.357 1.00 0.00 C ATOM 285 NH1 ARG A 20 -5.669 3.664 -10.783 1.00 0.00 N ATOM 286 NH2 ARG A 20 -7.269 5.258 -10.971 1.00 0.00 N ATOM 0 H ARG A 20 -3.733 3.564 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.330 3.928 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.988 1.836 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.599 3.472 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.829 3.972 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.240 2.328 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.637 1.740 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.991 2.049 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.407 4.084 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.283 2.835 -10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.174 4.098 -11.562 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.144 5.687 -10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.744 5.662 -11.747 1.00 0.00 H new ATOM 300 N PHE A 21 -5.077 2.022 -2.827 1.00 0.00 N ATOM 301 CA PHE A 21 -4.570 0.834 -2.159 1.00 0.00 C ATOM 302 C PHE A 21 -5.416 -0.375 -2.505 1.00 0.00 C ATOM 303 O PHE A 21 -4.900 -1.366 -3.001 1.00 0.00 O ATOM 304 CB PHE A 21 -4.552 1.069 -0.637 1.00 0.00 C ATOM 305 CG PHE A 21 -4.402 -0.202 0.165 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.302 -1.036 -0.081 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.393 -0.600 1.080 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.219 -2.289 0.536 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.295 -1.845 1.721 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.215 -2.699 1.440 1.00 0.00 C ATOM 0 H PHE A 21 -5.416 2.750 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.553 0.639 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.732 1.744 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.475 1.568 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.517 -0.711 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.229 0.052 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.388 -2.943 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.051 -2.147 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.150 -3.666 1.916 1.00 0.00 H new ATOM 320 N ALA A 22 -6.714 -0.314 -2.215 1.00 0.00 N ATOM 321 CA ALA A 22 -7.556 -1.491 -2.322 1.00 0.00 C ATOM 322 C ALA A 22 -7.702 -1.986 -3.766 1.00 0.00 C ATOM 323 O ALA A 22 -8.175 -3.103 -3.954 1.00 0.00 O ATOM 324 CB ALA A 22 -8.922 -1.175 -1.730 1.00 0.00 C ATOM 0 H ALA A 22 -7.196 0.531 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.078 -2.298 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.563 -2.053 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.809 -0.897 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.374 -0.348 -2.278 1.00 0.00 H new ATOM 330 N ARG A 23 -7.315 -1.186 -4.763 1.00 0.00 N ATOM 331 CA ARG A 23 -7.253 -1.535 -6.157 1.00 0.00 C ATOM 332 C ARG A 23 -5.827 -1.269 -6.614 1.00 0.00 C ATOM 333 O ARG A 23 -5.545 -0.237 -7.227 1.00 0.00 O ATOM 334 CB ARG A 23 -8.280 -0.710 -6.917 1.00 0.00 C ATOM 335 CG ARG A 23 -9.623 -1.447 -6.949 1.00 0.00 C ATOM 336 CD ARG A 23 -9.713 -2.524 -8.040 1.00 0.00 C ATOM 337 NE ARG A 23 -10.202 -1.943 -9.298 1.00 0.00 N ATOM 338 CZ ARG A 23 -9.489 -1.465 -10.322 1.00 0.00 C ATOM 339 NH1 ARG A 23 -8.189 -1.694 -10.446 1.00 0.00 N ATOM 340 NH2 ARG A 23 -10.129 -0.730 -11.218 1.00 0.00 N ATOM 0 H ARG A 23 -7.022 -0.224 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.492 -2.582 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.401 0.263 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.932 -0.527 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.795 -1.911 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.422 -0.721 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.733 -2.974 -8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.382 -3.322 -7.717 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.216 -1.899 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.700 -2.252 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.678 -1.312 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.127 -0.549 -11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.624 -0.345 -12.016 1.00 0.00 H new ATOM 354 N ALA A 24 -4.921 -2.173 -6.266 1.00 0.00 N ATOM 355 CA ALA A 24 -3.601 -2.179 -6.849 1.00 0.00 C ATOM 356 C ALA A 24 -3.266 -3.620 -7.168 1.00 0.00 C ATOM 357 O ALA A 24 -3.232 -4.444 -6.261 1.00 0.00 O ATOM 358 CB ALA A 24 -2.615 -1.574 -5.858 1.00 0.00 C ATOM 0 H ALA A 24 -5.084 -2.910 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.551 -1.584 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.615 -1.576 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.910 -0.550 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.613 -2.163 -4.941 1.00 0.00 H new ATOM 364 N GLU A 25 -3.092 -3.931 -8.445 1.00 0.00 N ATOM 365 CA GLU A 25 -2.910 -5.292 -8.935 1.00 0.00 C ATOM 366 C GLU A 25 -1.715 -6.042 -8.324 1.00 0.00 C ATOM 367 O GLU A 25 -1.651 -7.267 -8.453 1.00 0.00 O ATOM 368 CB GLU A 25 -2.748 -5.231 -10.457 1.00 0.00 C ATOM 369 CG GLU A 25 -4.064 -5.019 -11.207 1.00 0.00 C ATOM 370 CD GLU A 25 -3.933 -5.536 -12.642 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.039 -5.074 -13.384 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.651 -6.489 -13.033 1.00 0.00 O ATOM 0 H GLU A 25 -3.073 -3.230 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.792 -5.857 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.062 -4.422 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.288 -6.157 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.873 -5.541 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.322 -3.960 -11.215 1.00 0.00 H new ATOM 379 N TYR A 26 -0.767 -5.354 -7.686 1.00 0.00 N ATOM 380 CA TYR A 26 0.393 -5.941 -7.044 1.00 0.00 C ATOM 381 C TYR A 26 0.666 -5.141 -5.776 1.00 0.00 C ATOM 382 O TYR A 26 0.298 -3.968 -5.676 1.00 0.00 O ATOM 383 CB TYR A 26 1.607 -5.908 -7.988 1.00 0.00 C ATOM 384 CG TYR A 26 1.378 -6.551 -9.339 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.708 -5.796 -10.310 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.791 -7.863 -9.635 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.412 -6.326 -11.568 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.496 -8.415 -10.897 1.00 0.00 C ATOM 389 CZ TYR A 26 0.790 -7.650 -11.856 1.00 0.00 C ATOM 390 OH TYR A 26 0.437 -8.168 -13.060 1.00 0.00 O ATOM 0 H TYR A 26 -0.794 -4.338 -7.603 1.00 0.00 H new ATOM 0 HA TYR A 26 0.208 -6.986 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.903 -4.870 -8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.443 -6.409 -7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.414 -4.782 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.330 -8.443 -8.900 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.099 -5.728 -12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.808 -9.422 -11.133 1.00 0.00 H new ATOM 0 HH TYR A 26 0.762 -9.090 -13.128 1.00 0.00 H new ATOM 400 N PHE A 27 1.364 -5.754 -4.828 1.00 0.00 N ATOM 401 CA PHE A 27 1.751 -5.153 -3.569 1.00 0.00 C ATOM 402 C PHE A 27 3.203 -5.509 -3.331 1.00 0.00 C ATOM 403 O PHE A 27 3.536 -6.662 -3.074 1.00 0.00 O ATOM 404 CB PHE A 27 0.843 -5.627 -2.437 1.00 0.00 C ATOM 405 CG PHE A 27 -0.562 -5.092 -2.560 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.826 -3.735 -2.297 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.586 -5.933 -3.027 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.115 -3.224 -2.520 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.870 -5.414 -3.242 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.134 -4.062 -2.994 1.00 0.00 C ATOM 0 H PHE A 27 1.685 -6.717 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 27 1.641 -4.069 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.814 -6.717 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.265 -5.314 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.043 -3.091 -1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.384 -6.976 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.322 -2.182 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.658 -6.059 -3.600 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.123 -3.664 -3.168 1.00 0.00 H new ATOM 420 N ILE A 28 4.077 -4.529 -3.477 1.00 0.00 N ATOM 421 CA ILE A 28 5.494 -4.684 -3.201 1.00 0.00 C ATOM 422 C ILE A 28 5.611 -4.569 -1.693 1.00 0.00 C ATOM 423 O ILE A 28 5.058 -3.631 -1.121 1.00 0.00 O ATOM 424 CB ILE A 28 6.277 -3.632 -4.003 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.853 -3.653 -5.493 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.785 -3.866 -3.841 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.771 -5.042 -6.135 1.00 0.00 C ATOM 0 H ILE A 28 3.820 -3.594 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 28 5.922 -5.637 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 28 6.044 -2.641 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.879 -3.172 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.560 -3.050 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.333 -3.117 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.054 -3.788 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.040 -4.860 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.466 -4.944 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.748 -5.524 -6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.041 -5.648 -5.599 1.00 0.00 H new ATOM 439 N ILE A 29 6.238 -5.544 -1.039 1.00 0.00 N ATOM 440 CA ILE A 29 6.388 -5.565 0.408 1.00 0.00 C ATOM 441 C ILE A 29 7.877 -5.570 0.678 1.00 0.00 C ATOM 442 O ILE A 29 8.535 -6.589 0.491 1.00 0.00 O ATOM 443 CB ILE A 29 5.640 -6.730 1.081 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.159 -6.720 0.672 1.00 0.00 C ATOM 445 CG2 ILE A 29 5.781 -6.646 2.610 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.420 -7.958 1.172 1.00 0.00 C ATOM 0 H ILE A 29 6.659 -6.347 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 29 5.923 -4.686 0.855 1.00 0.00 H new ATOM 0 HB ILE A 29 6.083 -7.668 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.679 -5.826 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.083 -6.666 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.247 -7.477 3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.835 -6.698 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.361 -5.704 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.377 -7.910 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.883 -8.852 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.472 -7.998 2.260 1.00 0.00 H new ATOM 458 N TYR A 30 8.396 -4.401 1.028 1.00 0.00 N ATOM 459 CA TYR A 30 9.797 -4.186 1.355 1.00 0.00 C ATOM 460 C TYR A 30 9.976 -4.412 2.847 1.00 0.00 C ATOM 461 O TYR A 30 9.184 -3.909 3.643 1.00 0.00 O ATOM 462 CB TYR A 30 10.170 -2.741 1.009 1.00 0.00 C ATOM 463 CG TYR A 30 11.610 -2.370 1.271 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.638 -3.021 0.573 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.917 -1.360 2.203 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.974 -2.663 0.797 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.254 -0.999 2.438 1.00 0.00 C ATOM 468 CZ TYR A 30 14.285 -1.652 1.730 1.00 0.00 C ATOM 469 OH TYR A 30 15.578 -1.273 1.903 1.00 0.00 O ATOM 0 H TYR A 30 7.836 -3.551 1.094 1.00 0.00 H new ATOM 0 HA TYR A 30 10.433 -4.870 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.953 -2.569 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.529 -2.070 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.400 -3.799 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.122 -0.862 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.765 -3.161 0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.491 -0.227 3.155 1.00 0.00 H new ATOM 0 HH TYR A 30 15.624 -0.566 2.580 1.00 0.00 H new ATOM 479 N ASP A 31 11.005 -5.164 3.215 1.00 0.00 N ATOM 480 CA ASP A 31 11.475 -5.339 4.585 1.00 0.00 C ATOM 481 C ASP A 31 12.411 -4.176 4.901 1.00 0.00 C ATOM 482 O ASP A 31 13.434 -4.034 4.223 1.00 0.00 O ATOM 483 CB ASP A 31 12.262 -6.657 4.687 1.00 0.00 C ATOM 484 CG ASP A 31 11.405 -7.808 5.191 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.181 -7.860 6.424 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.016 -8.681 4.380 1.00 0.00 O ATOM 0 H ASP A 31 11.559 -5.691 2.540 1.00 0.00 H new ATOM 0 HA ASP A 31 10.636 -5.366 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.667 -6.911 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.111 -6.519 5.357 1.00 0.00 H new ATOM 491 N THR A 32 12.144 -3.362 5.928 1.00 0.00 N ATOM 492 CA THR A 32 13.099 -2.351 6.396 1.00 0.00 C ATOM 493 C THR A 32 14.076 -3.021 7.375 1.00 0.00 C ATOM 494 O THR A 32 14.248 -2.602 8.524 1.00 0.00 O ATOM 495 CB THR A 32 12.427 -1.051 6.905 1.00 0.00 C ATOM 496 OG1 THR A 32 11.931 -1.127 8.226 1.00 0.00 O ATOM 497 CG2 THR A 32 11.329 -0.519 5.975 1.00 0.00 C ATOM 0 H THR A 32 11.270 -3.384 6.453 1.00 0.00 H new ATOM 0 HA THR A 32 13.683 -1.979 5.554 1.00 0.00 H new ATOM 0 HB THR A 32 13.252 -0.339 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.577 -1.599 8.791 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.905 0.392 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.755 -0.301 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.545 -1.269 5.871 1.00 0.00 H new ATOM 505 N GLU A 33 14.683 -4.108 6.924 1.00 0.00 N ATOM 506 CA GLU A 33 15.703 -4.864 7.611 1.00 0.00 C ATOM 507 C GLU A 33 16.666 -5.257 6.539 1.00 0.00 C ATOM 508 O GLU A 33 17.664 -4.561 6.356 1.00 0.00 O ATOM 509 CB GLU A 33 15.130 -6.060 8.397 1.00 0.00 C ATOM 510 CG GLU A 33 14.719 -5.695 9.835 1.00 0.00 C ATOM 511 CD GLU A 33 15.097 -6.817 10.807 1.00 0.00 C ATOM 512 OE1 GLU A 33 16.308 -7.111 10.919 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.223 -7.410 11.472 1.00 0.00 O ATOM 0 H GLU A 33 14.458 -4.505 6.012 1.00 0.00 H new ATOM 0 HA GLU A 33 16.195 -4.279 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.263 -6.454 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.874 -6.856 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.208 -4.768 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.644 -5.517 9.877 1.00 0.00 H new ATOM 520 N SER A 34 16.385 -6.328 5.809 1.00 0.00 N ATOM 521 CA SER A 34 17.463 -6.955 5.084 1.00 0.00 C ATOM 522 C SER A 34 17.364 -6.624 3.589 1.00 0.00 C ATOM 523 O SER A 34 17.711 -7.441 2.743 1.00 0.00 O ATOM 524 CB SER A 34 17.398 -8.460 5.404 1.00 0.00 C ATOM 525 OG SER A 34 16.054 -8.935 5.356 1.00 0.00 O ATOM 0 H SER A 34 15.466 -6.758 5.709 1.00 0.00 H new ATOM 0 HA SER A 34 18.441 -6.581 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.009 -9.014 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.817 -8.644 6.393 1.00 0.00 H new ATOM 0 HG SER A 34 16.042 -9.899 5.529 1.00 0.00 H new ATOM 531 N GLY A 35 16.952 -5.400 3.236 1.00 0.00 N ATOM 532 CA GLY A 35 16.698 -4.935 1.868 1.00 0.00 C ATOM 533 C GLY A 35 15.749 -5.794 1.017 1.00 0.00 C ATOM 534 O GLY A 35 15.589 -5.526 -0.180 1.00 0.00 O ATOM 0 H GLY A 35 16.779 -4.673 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.290 -3.926 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.654 -4.865 1.348 1.00 0.00 H new ATOM 538 N ASN A 36 15.157 -6.841 1.596 1.00 0.00 N ATOM 539 CA ASN A 36 14.413 -7.862 0.875 1.00 0.00 C ATOM 540 C ASN A 36 13.050 -7.328 0.447 1.00 0.00 C ATOM 541 O ASN A 36 12.537 -6.366 1.028 1.00 0.00 O ATOM 542 CB ASN A 36 14.325 -9.136 1.727 1.00 0.00 C ATOM 543 CG ASN A 36 15.619 -9.935 1.629 1.00 0.00 C ATOM 544 OD1 ASN A 36 15.996 -10.380 0.549 1.00 0.00 O ATOM 545 ND2 ASN A 36 16.344 -10.133 2.711 1.00 0.00 N ATOM 0 H ASN A 36 15.186 -7.001 2.603 1.00 0.00 H new ATOM 0 HA ASN A 36 14.937 -8.127 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.132 -8.872 2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.487 -9.747 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.218 -10.656 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.032 -9.764 3.609 1.00 0.00 H new ATOM 552 N VAL A 37 12.455 -7.953 -0.570 1.00 0.00 N ATOM 553 CA VAL A 37 11.159 -7.557 -1.107 1.00 0.00 C ATOM 554 C VAL A 37 10.353 -8.807 -1.458 1.00 0.00 C ATOM 555 O VAL A 37 10.919 -9.875 -1.682 1.00 0.00 O ATOM 556 CB VAL A 37 11.276 -6.615 -2.339 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.192 -5.527 -2.289 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.627 -5.908 -2.528 1.00 0.00 C ATOM 0 H VAL A 37 12.866 -8.756 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 37 10.643 -6.986 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 37 11.157 -7.293 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.289 -4.877 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.207 -5.994 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.310 -4.937 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.588 -5.280 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.839 -5.289 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.414 -6.653 -2.644 1.00 0.00 H new ATOM 568 N GLU A 38 9.051 -8.640 -1.624 1.00 0.00 N ATOM 569 CA GLU A 38 8.114 -9.598 -2.186 1.00 0.00 C ATOM 570 C GLU A 38 7.312 -8.802 -3.211 1.00 0.00 C ATOM 571 O GLU A 38 6.924 -7.673 -2.902 1.00 0.00 O ATOM 572 CB GLU A 38 7.221 -10.110 -1.040 1.00 0.00 C ATOM 573 CG GLU A 38 5.956 -10.880 -1.451 1.00 0.00 C ATOM 574 CD GLU A 38 6.207 -12.320 -1.891 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.236 -12.598 -2.534 1.00 0.00 O ATOM 576 OE2 GLU A 38 5.423 -13.214 -1.500 1.00 0.00 O ATOM 0 H GLU A 38 8.590 -7.772 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 38 8.584 -10.463 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.822 -10.757 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.919 -9.256 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.261 -10.886 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.468 -10.344 -2.265 1.00 0.00 H new ATOM 583 N VAL A 39 7.033 -9.367 -4.389 1.00 0.00 N ATOM 584 CA VAL A 39 5.887 -8.943 -5.187 1.00 0.00 C ATOM 585 C VAL A 39 4.754 -9.875 -4.772 1.00 0.00 C ATOM 586 O VAL A 39 4.774 -11.067 -5.089 1.00 0.00 O ATOM 587 CB VAL A 39 6.123 -9.018 -6.714 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.876 -8.496 -7.450 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.358 -8.251 -7.215 1.00 0.00 C ATOM 0 H VAL A 39 7.585 -10.116 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 39 5.671 -7.891 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 39 6.312 -10.069 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.040 -8.548 -8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.014 -9.108 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.689 -7.462 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.441 -8.362 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.257 -7.195 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.253 -8.652 -6.739 1.00 0.00 H new ATOM 599 N VAL A 40 3.763 -9.345 -4.067 1.00 0.00 N ATOM 600 CA VAL A 40 2.451 -9.954 -4.046 1.00 0.00 C ATOM 601 C VAL A 40 1.808 -9.518 -5.358 1.00 0.00 C ATOM 602 O VAL A 40 1.875 -8.355 -5.746 1.00 0.00 O ATOM 603 CB VAL A 40 1.685 -9.469 -2.803 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.159 -9.544 -2.948 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.128 -10.262 -1.570 1.00 0.00 C ATOM 0 H VAL A 40 3.848 -8.497 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 40 2.464 -11.042 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 40 1.933 -8.414 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.312 -9.186 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.158 -8.923 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.139 -10.577 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.580 -9.911 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.923 -11.321 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.197 -10.119 -1.410 1.00 0.00 H new ATOM 615 N GLU A 41 1.166 -10.462 -6.025 1.00 0.00 N ATOM 616 CA GLU A 41 0.245 -10.249 -7.125 1.00 0.00 C ATOM 617 C GLU A 41 -1.122 -10.396 -6.476 1.00 0.00 C ATOM 618 O GLU A 41 -1.333 -11.384 -5.759 1.00 0.00 O ATOM 619 CB GLU A 41 0.494 -11.361 -8.146 1.00 0.00 C ATOM 620 CG GLU A 41 -0.360 -11.301 -9.409 1.00 0.00 C ATOM 621 CD GLU A 41 -0.180 -12.607 -10.190 1.00 0.00 C ATOM 622 OE1 GLU A 41 0.960 -12.976 -10.548 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.171 -13.366 -10.311 1.00 0.00 O ATOM 0 H GLU A 41 1.281 -11.450 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 41 0.345 -9.291 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.544 -11.333 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.324 -12.321 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.409 -11.158 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.066 -10.450 -10.024 1.00 0.00 H new ATOM 630 N ASN A 42 -2.037 -9.444 -6.657 1.00 0.00 N ATOM 631 CA ASN A 42 -3.348 -9.558 -6.038 1.00 0.00 C ATOM 632 C ASN A 42 -4.449 -9.093 -6.966 1.00 0.00 C ATOM 633 O ASN A 42 -4.370 -8.034 -7.586 1.00 0.00 O ATOM 634 CB ASN A 42 -3.393 -8.827 -4.690 1.00 0.00 C ATOM 635 CG ASN A 42 -4.438 -9.451 -3.784 1.00 0.00 C ATOM 636 OD1 ASN A 42 -4.691 -10.645 -3.857 1.00 0.00 O ATOM 637 ND2 ASN A 42 -5.046 -8.710 -2.880 1.00 0.00 N ATOM 0 H ASN A 42 -1.895 -8.603 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.525 -10.615 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.414 -8.872 -4.212 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.622 -7.773 -4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.724 -9.133 -2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.839 -7.713 -2.814 1.00 0.00 H new ATOM 644 N THR A 43 -5.491 -9.896 -7.069 1.00 0.00 N ATOM 645 CA THR A 43 -6.382 -9.925 -8.213 1.00 0.00 C ATOM 646 C THR A 43 -7.738 -9.359 -7.781 1.00 0.00 C ATOM 647 O THR A 43 -8.786 -10.011 -7.854 1.00 0.00 O ATOM 648 CB THR A 43 -6.357 -11.377 -8.734 1.00 0.00 C ATOM 649 OG1 THR A 43 -6.413 -12.287 -7.648 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.029 -11.667 -9.450 1.00 0.00 C ATOM 0 H THR A 43 -5.748 -10.563 -6.341 1.00 0.00 H new ATOM 0 HA THR A 43 -6.090 -9.294 -9.052 1.00 0.00 H new ATOM 0 HB THR A 43 -7.208 -11.493 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.398 -13.205 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.028 -12.695 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.914 -10.986 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.202 -11.526 -8.754 1.00 0.00 H new ATOM 658 N ILE A 44 -7.705 -8.146 -7.221 1.00 0.00 N ATOM 659 CA ILE A 44 -8.871 -7.401 -6.784 1.00 0.00 C ATOM 660 C ILE A 44 -9.518 -6.724 -7.991 1.00 0.00 C ATOM 661 O ILE A 44 -9.191 -5.595 -8.356 1.00 0.00 O ATOM 662 CB ILE A 44 -8.470 -6.422 -5.670 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.136 -5.693 -5.962 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.484 -7.184 -4.330 1.00 0.00 C ATOM 665 CD1 ILE A 44 -5.937 -6.229 -5.175 1.00 0.00 C ATOM 0 H ILE A 44 -6.831 -7.646 -7.057 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.622 -8.065 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.196 -5.611 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.920 -5.770 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.258 -4.633 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.202 -6.507 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.485 -7.574 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.775 -8.011 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.045 -5.662 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.128 -6.127 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.784 -7.281 -5.417 1.00 0.00 H new ATOM 677 N ALA A 45 -10.429 -7.453 -8.622 1.00 0.00 N ATOM 678 CA ALA A 45 -11.255 -7.025 -9.740 1.00 0.00 C ATOM 679 C ALA A 45 -12.664 -7.565 -9.488 1.00 0.00 C ATOM 680 O ALA A 45 -13.160 -8.417 -10.226 1.00 0.00 O ATOM 681 CB ALA A 45 -10.643 -7.533 -11.055 1.00 0.00 C ATOM 0 H ALA A 45 -10.621 -8.417 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.305 -5.940 -9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.262 -7.212 -11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.638 -7.126 -11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.594 -8.622 -11.037 1.00 0.00 H new ATOM 687 N ASP A 46 -13.280 -7.162 -8.378 1.00 0.00 N ATOM 688 CA ASP A 46 -14.476 -7.808 -7.831 1.00 0.00 C ATOM 689 C ASP A 46 -15.200 -6.908 -6.823 1.00 0.00 C ATOM 690 O ASP A 46 -14.715 -5.828 -6.451 1.00 0.00 O ATOM 691 CB ASP A 46 -14.107 -9.163 -7.187 1.00 0.00 C ATOM 692 CG ASP A 46 -13.001 -9.134 -6.125 1.00 0.00 C ATOM 693 OD1 ASP A 46 -12.599 -8.061 -5.622 1.00 0.00 O ATOM 694 OD2 ASP A 46 -12.508 -10.227 -5.773 1.00 0.00 O ATOM 0 H ASP A 46 -12.960 -6.367 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.163 -7.986 -8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.005 -9.582 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.802 -9.846 -7.980 1.00 0.00 H new ATOM 699 N ALA A 47 -16.404 -7.314 -6.415 1.00 0.00 N ATOM 700 CA ALA A 47 -17.195 -6.737 -5.331 1.00 0.00 C ATOM 701 C ALA A 47 -18.017 -7.837 -4.639 1.00 0.00 C ATOM 702 O ALA A 47 -19.141 -7.602 -4.192 1.00 0.00 O ATOM 703 CB ALA A 47 -18.105 -5.644 -5.912 1.00 0.00 C ATOM 0 H ALA A 47 -16.879 -8.100 -6.859 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.541 -6.291 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.702 -5.204 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.494 -4.870 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.766 -6.081 -6.660 1.00 0.00 H new ATOM 709 N HIS A 48 -17.417 -9.021 -4.487 1.00 0.00 N ATOM 710 CA HIS A 48 -17.922 -10.089 -3.633 1.00 0.00 C ATOM 711 C HIS A 48 -17.710 -9.717 -2.160 1.00 0.00 C ATOM 712 O HIS A 48 -17.158 -8.653 -1.857 1.00 0.00 O ATOM 713 CB HIS A 48 -17.253 -11.421 -4.013 1.00 0.00 C ATOM 714 CG HIS A 48 -18.214 -12.383 -4.665 1.00 0.00 C ATOM 715 ND1 HIS A 48 -19.318 -12.951 -4.066 1.00 0.00 N ATOM 716 CD2 HIS A 48 -18.167 -12.831 -5.958 1.00 0.00 C ATOM 717 CE1 HIS A 48 -19.932 -13.717 -4.976 1.00 0.00 C ATOM 718 NE2 HIS A 48 -19.265 -13.681 -6.143 1.00 0.00 N ATOM 0 H HIS A 48 -16.550 -9.264 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 48 -18.994 -10.216 -3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -16.422 -11.226 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.833 -11.882 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -17.422 -12.576 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -20.834 -14.283 -4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -19.511 -14.178 -6.999 1.00 0.00 H new ATOM 726 N GLY A 49 -18.140 -10.580 -1.240 1.00 0.00 N ATOM 727 CA GLY A 49 -18.123 -10.334 0.192 1.00 0.00 C ATOM 728 C GLY A 49 -16.732 -10.496 0.794 1.00 0.00 C ATOM 729 O GLY A 49 -15.821 -9.711 0.504 1.00 0.00 O ATOM 0 H GLY A 49 -18.520 -11.495 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.486 -9.325 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.811 -11.022 0.684 1.00 0.00 H new ATOM 733 N THR A 50 -16.572 -11.496 1.669 1.00 0.00 N ATOM 734 CA THR A 50 -15.433 -11.609 2.583 1.00 0.00 C ATOM 735 C THR A 50 -15.267 -10.281 3.371 1.00 0.00 C ATOM 736 O THR A 50 -16.176 -9.439 3.408 1.00 0.00 O ATOM 737 CB THR A 50 -14.237 -12.164 1.770 1.00 0.00 C ATOM 738 OG1 THR A 50 -14.571 -13.482 1.375 1.00 0.00 O ATOM 739 CG2 THR A 50 -12.881 -12.285 2.470 1.00 0.00 C ATOM 0 H THR A 50 -17.241 -12.260 1.762 1.00 0.00 H new ATOM 0 HA THR A 50 -15.561 -12.331 3.390 1.00 0.00 H new ATOM 0 HB THR A 50 -14.099 -11.429 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.834 -13.864 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.146 -12.688 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.558 -11.301 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.972 -12.952 3.327 1.00 0.00 H new ATOM 747 N GLY A 51 -14.185 -10.115 4.132 1.00 0.00 N ATOM 748 CA GLY A 51 -13.818 -8.861 4.776 1.00 0.00 C ATOM 749 C GLY A 51 -12.735 -8.207 3.929 1.00 0.00 C ATOM 750 O GLY A 51 -12.992 -7.934 2.754 1.00 0.00 O ATOM 0 H GLY A 51 -13.525 -10.870 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.685 -8.206 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.455 -9.042 5.788 1.00 0.00 H new ATOM 754 N PRO A 52 -11.529 -7.966 4.467 1.00 0.00 N ATOM 755 CA PRO A 52 -10.493 -7.274 3.731 1.00 0.00 C ATOM 756 C PRO A 52 -9.903 -8.088 2.610 1.00 0.00 C ATOM 757 O PRO A 52 -9.711 -7.495 1.545 1.00 0.00 O ATOM 758 CB PRO A 52 -9.440 -6.905 4.763 1.00 0.00 C ATOM 759 CG PRO A 52 -9.585 -7.953 5.861 1.00 0.00 C ATOM 760 CD PRO A 52 -11.083 -8.248 5.829 1.00 0.00 C ATOM 0 HA PRO A 52 -10.909 -6.399 3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.440 -6.921 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.603 -5.900 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.990 -8.843 5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.265 -7.573 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.280 -9.286 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.617 -7.627 6.549 1.00 0.00 H new ATOM 768 N LYS A 53 -9.610 -9.377 2.825 1.00 0.00 N ATOM 769 CA LYS A 53 -8.857 -10.207 1.890 1.00 0.00 C ATOM 770 C LYS A 53 -7.444 -9.642 1.681 1.00 0.00 C ATOM 771 O LYS A 53 -6.520 -10.170 2.284 1.00 0.00 O ATOM 772 CB LYS A 53 -9.740 -10.447 0.655 1.00 0.00 C ATOM 773 CG LYS A 53 -9.027 -10.765 -0.654 1.00 0.00 C ATOM 774 CD LYS A 53 -10.019 -10.687 -1.809 1.00 0.00 C ATOM 775 CE LYS A 53 -10.522 -9.253 -2.063 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.332 -9.229 -3.306 1.00 0.00 N ATOM 0 H LYS A 53 -9.896 -9.875 3.668 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.639 -11.204 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.420 -11.269 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.354 -9.560 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.210 -10.062 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.586 -11.761 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.547 -11.068 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.870 -11.334 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.121 -8.911 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.677 -8.570 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.487 -8.244 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.828 -9.740 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.249 -9.687 -3.131 1.00 0.00 H new ATOM 790 N VAL A 54 -7.276 -8.527 0.963 1.00 0.00 N ATOM 791 CA VAL A 54 -5.981 -7.926 0.666 1.00 0.00 C ATOM 792 C VAL A 54 -5.216 -7.645 1.958 1.00 0.00 C ATOM 793 O VAL A 54 -4.115 -8.146 2.160 1.00 0.00 O ATOM 794 CB VAL A 54 -6.138 -6.712 -0.272 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.057 -5.569 0.175 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.778 -6.112 -0.637 1.00 0.00 C ATOM 0 H VAL A 54 -8.059 -8.008 0.565 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.364 -8.631 0.109 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.643 -7.164 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.065 -4.790 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.069 -5.949 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.691 -5.154 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.923 -5.258 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.269 -5.786 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.172 -6.864 -1.142 1.00 0.00 H new ATOM 806 N VAL A 55 -5.826 -6.876 2.856 1.00 0.00 N ATOM 807 CA VAL A 55 -5.304 -6.551 4.180 1.00 0.00 C ATOM 808 C VAL A 55 -5.023 -7.856 4.904 1.00 0.00 C ATOM 809 O VAL A 55 -3.877 -8.065 5.251 1.00 0.00 O ATOM 810 CB VAL A 55 -6.256 -5.586 4.925 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.523 -4.696 5.919 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.013 -4.656 3.948 1.00 0.00 C ATOM 0 H VAL A 55 -6.733 -6.446 2.674 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.363 -6.004 4.119 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.955 -6.233 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.237 -4.038 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.024 -5.316 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.782 -4.095 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.671 -3.994 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.296 -4.060 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.607 -5.257 3.259 1.00 0.00 H new ATOM 822 N GLN A 56 -5.981 -8.783 4.962 1.00 0.00 N ATOM 823 CA GLN A 56 -5.855 -10.095 5.592 1.00 0.00 C ATOM 824 C GLN A 56 -4.675 -10.946 5.075 1.00 0.00 C ATOM 825 O GLN A 56 -4.369 -11.987 5.654 1.00 0.00 O ATOM 826 CB GLN A 56 -7.162 -10.877 5.347 1.00 0.00 C ATOM 827 CG GLN A 56 -7.983 -11.158 6.616 1.00 0.00 C ATOM 828 CD GLN A 56 -7.953 -12.636 6.997 1.00 0.00 C ATOM 829 OE1 GLN A 56 -8.196 -13.501 6.154 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.700 -12.965 8.246 1.00 0.00 N ATOM 0 H GLN A 56 -6.903 -8.632 4.554 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.662 -9.912 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.780 -10.316 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.919 -11.826 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.592 -10.562 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.015 -10.845 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.500 -12.239 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.704 -13.946 8.526 1.00 0.00 H new ATOM 839 N SER A 57 -4.041 -10.576 3.964 1.00 0.00 N ATOM 840 CA SER A 57 -2.939 -11.293 3.346 1.00 0.00 C ATOM 841 C SER A 57 -1.645 -10.524 3.566 1.00 0.00 C ATOM 842 O SER A 57 -0.676 -11.085 4.072 1.00 0.00 O ATOM 843 CB SER A 57 -3.283 -11.485 1.866 1.00 0.00 C ATOM 844 OG SER A 57 -2.713 -12.676 1.356 1.00 0.00 O ATOM 0 H SER A 57 -4.296 -9.732 3.452 1.00 0.00 H new ATOM 0 HA SER A 57 -2.790 -12.276 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.366 -11.516 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.921 -10.632 1.293 1.00 0.00 H new ATOM 0 HG SER A 57 -2.950 -12.773 0.410 1.00 0.00 H new ATOM 850 N LEU A 58 -1.657 -9.222 3.288 1.00 0.00 N ATOM 851 CA LEU A 58 -0.553 -8.314 3.549 1.00 0.00 C ATOM 852 C LEU A 58 -0.193 -8.321 5.038 1.00 0.00 C ATOM 853 O LEU A 58 0.970 -8.414 5.413 1.00 0.00 O ATOM 854 CB LEU A 58 -0.962 -6.913 3.075 1.00 0.00 C ATOM 855 CG LEU A 58 -1.145 -6.748 1.552 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.497 -5.289 1.252 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.092 -7.122 0.748 1.00 0.00 C ATOM 0 H LEU A 58 -2.461 -8.761 2.862 1.00 0.00 H new ATOM 0 HA LEU A 58 0.336 -8.633 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.897 -6.642 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.208 -6.201 3.411 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.941 -7.430 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.629 -5.160 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.422 -5.025 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.692 -4.642 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.108 -6.982 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.926 -6.487 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.346 -8.166 0.935 1.00 0.00 H new ATOM 869 N VAL A 59 -1.188 -8.256 5.913 1.00 0.00 N ATOM 870 CA VAL A 59 -1.041 -8.340 7.359 1.00 0.00 C ATOM 871 C VAL A 59 -0.531 -9.732 7.745 1.00 0.00 C ATOM 872 O VAL A 59 0.399 -9.834 8.543 1.00 0.00 O ATOM 873 CB VAL A 59 -2.406 -7.969 7.963 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.563 -8.321 9.438 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.627 -6.453 7.817 1.00 0.00 C ATOM 0 H VAL A 59 -2.159 -8.139 5.622 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.297 -7.648 7.754 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.141 -8.557 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.555 -8.024 9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.440 -9.396 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.806 -7.795 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.593 -6.183 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.836 -5.918 8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.608 -6.183 6.761 1.00 0.00 H new ATOM 885 N SER A 60 -1.031 -10.802 7.122 1.00 0.00 N ATOM 886 CA SER A 60 -0.443 -12.133 7.250 1.00 0.00 C ATOM 887 C SER A 60 0.961 -12.244 6.609 1.00 0.00 C ATOM 888 O SER A 60 1.556 -13.322 6.611 1.00 0.00 O ATOM 889 CB SER A 60 -1.401 -13.176 6.674 1.00 0.00 C ATOM 890 OG SER A 60 -2.547 -13.349 7.501 1.00 0.00 O ATOM 0 H SER A 60 -1.852 -10.768 6.517 1.00 0.00 H new ATOM 0 HA SER A 60 -0.296 -12.323 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.715 -12.871 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.882 -14.128 6.567 1.00 0.00 H new ATOM 0 HG SER A 60 -3.328 -12.948 7.066 1.00 0.00 H new ATOM 896 N LYS A 61 1.514 -11.147 6.083 1.00 0.00 N ATOM 897 CA LYS A 61 2.891 -10.977 5.627 1.00 0.00 C ATOM 898 C LYS A 61 3.497 -9.773 6.361 1.00 0.00 C ATOM 899 O LYS A 61 4.266 -9.007 5.785 1.00 0.00 O ATOM 900 CB LYS A 61 2.880 -10.787 4.099 1.00 0.00 C ATOM 901 CG LYS A 61 2.555 -12.082 3.345 1.00 0.00 C ATOM 902 CD LYS A 61 2.118 -11.795 1.899 1.00 0.00 C ATOM 903 CE LYS A 61 2.552 -12.872 0.892 1.00 0.00 C ATOM 904 NZ LYS A 61 4.023 -13.010 0.801 1.00 0.00 N ATOM 0 H LYS A 61 0.969 -10.294 5.957 1.00 0.00 H new ATOM 0 HA LYS A 61 3.504 -11.851 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.146 -10.025 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.853 -10.417 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.430 -12.731 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.763 -12.619 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.032 -11.701 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.530 -10.835 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.119 -13.829 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.153 -12.626 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.322 -12.896 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.477 -12.280 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.305 -13.951 1.141 1.00 0.00 H new ATOM 918 N GLY A 62 3.167 -9.630 7.649 1.00 0.00 N ATOM 919 CA GLY A 62 3.833 -8.764 8.616 1.00 0.00 C ATOM 920 C GLY A 62 3.869 -7.277 8.293 1.00 0.00 C ATOM 921 O GLY A 62 4.681 -6.561 8.880 1.00 0.00 O ATOM 0 H GLY A 62 2.388 -10.143 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.342 -8.891 9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.859 -9.111 8.733 1.00 0.00 H new ATOM 925 N VAL A 63 3.028 -6.807 7.375 1.00 0.00 N ATOM 926 CA VAL A 63 2.973 -5.421 6.950 1.00 0.00 C ATOM 927 C VAL A 63 2.722 -4.507 8.147 1.00 0.00 C ATOM 928 O VAL A 63 1.675 -4.620 8.786 1.00 0.00 O ATOM 929 CB VAL A 63 1.905 -5.310 5.837 1.00 0.00 C ATOM 930 CG1 VAL A 63 1.226 -3.927 5.710 1.00 0.00 C ATOM 931 CG2 VAL A 63 2.528 -5.814 4.515 1.00 0.00 C ATOM 0 H VAL A 63 2.350 -7.400 6.897 1.00 0.00 H new ATOM 0 HA VAL A 63 3.924 -5.089 6.534 1.00 0.00 H new ATOM 0 HB VAL A 63 1.066 -5.947 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.495 -3.954 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.724 -3.681 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.980 -3.170 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.791 -5.744 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.394 -5.202 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.839 -6.852 4.632 1.00 0.00 H new ATOM 941 N GLU A 64 3.637 -3.570 8.417 1.00 0.00 N ATOM 942 CA GLU A 64 3.501 -2.643 9.550 1.00 0.00 C ATOM 943 C GLU A 64 3.579 -1.184 9.079 1.00 0.00 C ATOM 944 O GLU A 64 3.960 -0.284 9.825 1.00 0.00 O ATOM 945 CB GLU A 64 4.662 -2.958 10.508 1.00 0.00 C ATOM 946 CG GLU A 64 4.414 -4.203 11.362 1.00 0.00 C ATOM 947 CD GLU A 64 3.819 -3.861 12.729 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.019 -2.904 12.848 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.117 -4.589 13.705 1.00 0.00 O ATOM 0 H GLU A 64 4.484 -3.432 7.865 1.00 0.00 H new ATOM 0 HA GLU A 64 2.535 -2.767 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.575 -3.098 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.827 -2.102 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.739 -4.875 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.353 -4.738 11.501 1.00 0.00 H new ATOM 956 N TYR A 65 3.031 -0.893 7.902 1.00 0.00 N ATOM 957 CA TYR A 65 3.185 0.353 7.163 1.00 0.00 C ATOM 958 C TYR A 65 2.574 0.148 5.773 1.00 0.00 C ATOM 959 O TYR A 65 2.305 -0.981 5.359 1.00 0.00 O ATOM 960 CB TYR A 65 4.661 0.622 6.909 1.00 0.00 C ATOM 961 CG TYR A 65 5.498 1.377 7.913 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.191 2.708 8.257 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.701 0.808 8.344 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.058 3.443 9.088 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.555 1.518 9.193 1.00 0.00 C ATOM 966 CZ TYR A 65 7.239 2.835 9.572 1.00 0.00 C ATOM 967 OH TYR A 65 8.089 3.480 10.408 1.00 0.00 O ATOM 0 H TYR A 65 2.434 -1.560 7.412 1.00 0.00 H new ATOM 0 HA TYR A 65 2.721 1.162 7.728 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.140 -0.345 6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.729 1.163 5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.288 3.166 7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.972 -0.186 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.823 4.463 9.354 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.459 1.054 9.559 1.00 0.00 H new ATOM 0 HH TYR A 65 8.841 2.892 10.627 1.00 0.00 H new ATOM 977 N LEU A 66 2.431 1.204 4.984 1.00 0.00 N ATOM 978 CA LEU A 66 1.909 1.161 3.627 1.00 0.00 C ATOM 979 C LEU A 66 2.092 2.547 3.029 1.00 0.00 C ATOM 980 O LEU A 66 1.924 3.532 3.730 1.00 0.00 O ATOM 981 CB LEU A 66 0.420 0.751 3.665 1.00 0.00 C ATOM 982 CG LEU A 66 -0.450 1.151 2.457 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.081 0.496 1.119 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.906 0.771 2.730 1.00 0.00 C ATOM 0 H LEU A 66 2.684 2.146 5.282 1.00 0.00 H new ATOM 0 HA LEU A 66 2.435 0.428 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.370 -0.332 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.027 1.182 4.561 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.281 2.223 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.758 0.850 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.943 0.759 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.166 -0.587 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.522 1.054 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.978 -0.305 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.258 1.293 3.620 1.00 0.00 H new ATOM 996 N ILE A 67 2.350 2.639 1.732 1.00 0.00 N ATOM 997 CA ILE A 67 2.488 3.883 0.991 1.00 0.00 C ATOM 998 C ILE A 67 1.338 3.926 -0.003 1.00 0.00 C ATOM 999 O ILE A 67 1.365 3.181 -0.972 1.00 0.00 O ATOM 1000 CB ILE A 67 3.880 3.879 0.321 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.989 3.963 1.406 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.056 5.090 -0.606 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.352 3.430 0.977 1.00 0.00 C ATOM 0 H ILE A 67 2.474 1.815 1.144 1.00 0.00 H new ATOM 0 HA ILE A 67 2.434 4.776 1.613 1.00 0.00 H new ATOM 0 HB ILE A 67 3.959 2.957 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.102 5.004 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.659 3.409 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.045 5.058 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.296 5.064 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.952 6.009 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.058 3.532 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.262 2.379 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.711 3.998 0.119 1.00 0.00 H new ATOM 1015 N ALA A 68 0.285 4.707 0.243 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.931 4.665 -0.554 1.00 0.00 C ATOM 1017 C ALA A 68 -1.700 5.984 -0.465 1.00 0.00 C ATOM 1018 O ALA A 68 -2.451 6.234 0.478 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.851 3.548 -0.076 1.00 0.00 C ATOM 0 H ALA A 68 0.256 5.386 1.003 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.628 4.487 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.754 3.535 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.338 2.590 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.120 3.719 0.966 1.00 0.00 H new ATOM 1025 N SER A 69 -1.589 6.803 -1.501 1.00 0.00 N ATOM 1026 CA SER A 69 -2.326 8.050 -1.633 1.00 0.00 C ATOM 1027 C SER A 69 -3.850 7.917 -1.633 1.00 0.00 C ATOM 1028 O SER A 69 -4.503 8.952 -1.631 1.00 0.00 O ATOM 1029 CB SER A 69 -1.838 8.798 -2.874 1.00 0.00 C ATOM 1030 OG SER A 69 -2.379 10.091 -3.018 1.00 0.00 O ATOM 0 H SER A 69 -0.971 6.614 -2.290 1.00 0.00 H new ATOM 0 HA SER A 69 -2.112 8.621 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.751 8.873 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.086 8.212 -3.759 1.00 0.00 H new ATOM 0 HG SER A 69 -3.228 10.146 -2.532 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.487 6.750 -1.616 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.923 6.708 -1.336 1.00 0.00 C ATOM 1038 C ASN A 70 -6.340 5.262 -1.125 1.00 0.00 C ATOM 1039 O ASN A 70 -5.521 4.347 -1.266 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.736 7.307 -2.517 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.818 8.255 -2.021 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.612 7.896 -1.154 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.862 9.486 -2.506 1.00 0.00 N ATOM 0 H ASN A 70 -4.050 5.844 -1.787 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.125 7.299 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.064 7.839 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.192 6.501 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.559 10.146 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.199 9.775 -3.225 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.623 5.017 -0.868 1.00 0.00 N ATOM 1051 CA VAL A 71 -8.148 3.668 -0.757 1.00 0.00 C ATOM 1052 C VAL A 71 -9.474 3.560 -1.502 1.00 0.00 C ATOM 1053 O VAL A 71 -10.247 4.515 -1.559 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.197 3.281 0.729 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.287 4.028 1.497 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.360 1.771 0.907 1.00 0.00 C ATOM 0 H VAL A 71 -8.321 5.748 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.499 2.938 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.239 3.581 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.276 3.715 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.104 5.101 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.260 3.801 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.391 1.531 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.287 1.447 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.518 1.257 0.444 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.714 2.382 -2.078 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.877 2.045 -2.886 1.00 0.00 C ATOM 1068 C GLY A 72 -11.693 0.932 -2.214 1.00 0.00 C ATOM 1069 O GLY A 72 -12.074 -0.030 -2.874 1.00 0.00 O ATOM 0 H GLY A 72 -9.066 1.599 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.500 2.929 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.558 1.723 -3.877 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.847 0.975 -0.885 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.688 0.109 -0.039 1.00 0.00 C ATOM 1075 C ARG A 73 -12.662 0.719 1.359 1.00 0.00 C ATOM 1076 O ARG A 73 -11.774 1.528 1.645 1.00 0.00 O ATOM 1077 CB ARG A 73 -12.139 -1.337 0.043 1.00 0.00 C ATOM 1078 CG ARG A 73 -12.863 -2.380 -0.824 1.00 0.00 C ATOM 1079 CD ARG A 73 -13.858 -3.257 -0.045 1.00 0.00 C ATOM 1080 NE ARG A 73 -15.178 -2.633 0.116 1.00 0.00 N ATOM 1081 CZ ARG A 73 -16.302 -3.261 0.486 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -16.311 -4.513 0.942 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.441 -2.597 0.392 1.00 0.00 N ATOM 0 H ARG A 73 -11.350 1.669 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.692 0.052 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.087 -1.322 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.183 -1.663 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.396 -1.866 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.121 -3.023 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.974 -4.210 -0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.445 -3.477 0.939 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.245 -1.632 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.437 -5.033 1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.192 -4.951 1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.445 -1.637 0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.316 -3.044 0.665 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.460 0.185 2.286 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.284 0.390 3.728 1.00 0.00 C ATOM 1099 C ASN A 74 -12.053 -0.364 4.284 1.00 0.00 C ATOM 1100 O ASN A 74 -12.019 -0.820 5.430 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.584 0.071 4.480 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.658 1.098 4.144 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.406 2.297 4.203 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -16.837 0.675 3.728 1.00 0.00 N ATOM 0 H ASN A 74 -14.256 -0.409 2.055 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.068 1.445 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.930 -0.927 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.399 0.067 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.552 1.348 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.034 -0.325 3.684 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.028 -0.564 3.450 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.819 -1.293 3.789 1.00 0.00 C ATOM 1113 C ALA A 75 -8.886 -0.461 4.672 1.00 0.00 C ATOM 1114 O ALA A 75 -8.136 -1.044 5.446 1.00 0.00 O ATOM 1115 CB ALA A 75 -9.111 -1.716 2.498 1.00 0.00 C ATOM 0 H ALA A 75 -11.024 -0.209 2.494 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.094 -2.178 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.202 -2.264 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.772 -2.355 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.854 -0.830 1.917 1.00 0.00 H new ATOM 1121 N PHE A 76 -8.917 0.873 4.588 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.078 1.767 5.391 1.00 0.00 C ATOM 1123 C PHE A 76 -8.367 1.598 6.872 1.00 0.00 C ATOM 1124 O PHE A 76 -7.448 1.601 7.679 1.00 0.00 O ATOM 1125 CB PHE A 76 -8.280 3.203 4.913 1.00 0.00 C ATOM 1126 CG PHE A 76 -7.915 4.324 5.856 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -6.583 4.759 5.984 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -8.943 4.986 6.550 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -6.288 5.868 6.791 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -8.646 6.081 7.367 1.00 0.00 C ATOM 1131 CZ PHE A 76 -7.321 6.518 7.489 1.00 0.00 C ATOM 0 H PHE A 76 -9.537 1.370 3.949 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.027 1.510 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.701 3.335 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.330 3.321 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.791 4.241 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.964 4.648 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.271 6.221 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.435 6.588 7.902 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.091 7.361 8.124 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.618 1.361 7.232 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.029 1.105 8.593 1.00 0.00 C ATOM 1143 C GLU A 77 -9.523 -0.259 9.061 1.00 0.00 C ATOM 1144 O GLU A 77 -9.195 -0.418 10.236 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.548 1.272 8.670 1.00 0.00 C ATOM 1146 CG GLU A 77 -11.844 2.775 8.560 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.276 3.070 8.149 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -13.522 3.150 6.924 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.103 3.309 9.052 1.00 0.00 O ATOM 0 H GLU A 77 -10.390 1.342 6.566 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.584 1.821 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.037 0.723 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.932 0.871 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.642 3.250 9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.164 3.221 7.834 1.00 0.00 H new ATOM 1156 N THR A 78 -9.346 -1.213 8.145 1.00 0.00 N ATOM 1157 CA THR A 78 -8.744 -2.499 8.472 1.00 0.00 C ATOM 1158 C THR A 78 -7.214 -2.365 8.577 1.00 0.00 C ATOM 1159 O THR A 78 -6.579 -3.180 9.242 1.00 0.00 O ATOM 1160 CB THR A 78 -9.188 -3.551 7.435 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.579 -3.420 7.164 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.977 -4.983 7.932 1.00 0.00 C ATOM 0 H THR A 78 -9.614 -1.114 7.166 1.00 0.00 H new ATOM 0 HA THR A 78 -9.089 -2.838 9.449 1.00 0.00 H new ATOM 0 HB THR A 78 -8.581 -3.373 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.848 -4.092 6.503 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.305 -5.686 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.920 -5.143 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.556 -5.141 8.842 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.619 -1.324 7.978 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.171 -1.118 8.001 1.00 0.00 C ATOM 1172 C LEU A 79 -4.763 -0.690 9.406 1.00 0.00 C ATOM 1173 O LEU A 79 -3.958 -1.346 10.055 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.745 -0.097 6.923 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.800 -0.737 5.509 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.039 0.240 4.340 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.512 -1.519 5.239 1.00 0.00 C ATOM 0 H LEU A 79 -7.130 -0.605 7.466 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.653 -2.046 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.401 0.773 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.735 0.256 7.129 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.676 -1.386 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.059 -0.314 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.992 0.750 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.235 0.975 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.558 -1.965 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.658 -0.844 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.401 -2.306 5.985 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.376 0.368 9.922 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.224 0.790 11.303 1.00 0.00 C ATOM 1191 C LYS A 80 -5.576 -0.300 12.309 1.00 0.00 C ATOM 1192 O LYS A 80 -4.922 -0.377 13.347 1.00 0.00 O ATOM 1193 CB LYS A 80 -5.996 2.086 11.538 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.375 2.241 10.867 1.00 0.00 C ATOM 1195 CD LYS A 80 -7.629 3.648 10.310 1.00 0.00 C ATOM 1196 CE LYS A 80 -6.497 4.077 9.375 1.00 0.00 C ATOM 1197 NZ LYS A 80 -5.603 5.085 10.004 1.00 0.00 N ATOM 0 H LYS A 80 -6.002 0.965 9.381 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.166 0.987 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.133 2.202 12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.369 2.913 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.459 1.517 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.152 2.000 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.577 3.665 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.716 4.359 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.912 3.203 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.921 4.490 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.798 6.023 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.773 5.108 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.611 4.830 9.823 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.526 -1.176 11.992 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.847 -2.331 12.823 1.00 0.00 C ATOM 1213 C ALA A 81 -5.733 -3.403 12.878 1.00 0.00 C ATOM 1214 O ALA A 81 -5.881 -4.386 13.613 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.181 -2.915 12.365 1.00 0.00 C ATOM 0 H ALA A 81 -7.096 -1.104 11.149 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.929 -1.981 13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.430 -3.780 12.980 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.962 -2.161 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.105 -3.222 11.322 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.622 -3.227 12.146 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.368 -3.948 12.353 1.00 0.00 C ATOM 1223 C ALA A 82 -2.197 -2.963 12.481 1.00 0.00 C ATOM 1224 O ALA A 82 -1.086 -3.261 12.055 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.133 -4.856 11.136 1.00 0.00 C ATOM 0 H ALA A 82 -4.575 -2.561 11.375 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.430 -4.534 13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.201 -5.406 11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.960 -5.560 11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.071 -4.247 10.234 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.395 -1.814 13.123 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.371 -0.794 13.328 1.00 0.00 C ATOM 1233 C GLY A 83 -0.551 -0.381 12.101 1.00 0.00 C ATOM 1234 O GLY A 83 0.622 -0.011 12.221 1.00 0.00 O ATOM 0 H GLY A 83 -3.297 -1.560 13.526 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.855 0.097 13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.682 -1.154 14.092 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.154 -0.430 10.916 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.458 -0.183 9.667 1.00 0.00 C ATOM 1240 C VAL A 84 -0.446 1.314 9.418 1.00 0.00 C ATOM 1241 O VAL A 84 -1.504 1.906 9.188 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.119 -0.987 8.532 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.367 -0.888 7.206 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.197 -2.465 8.922 1.00 0.00 C ATOM 0 H VAL A 84 -2.145 -0.644 10.800 1.00 0.00 H new ATOM 0 HA VAL A 84 0.577 -0.521 9.713 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.110 -0.556 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.885 -1.477 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.324 0.154 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.646 -1.270 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.665 -3.030 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.192 -2.849 9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.789 -2.571 9.831 1.00 0.00 H new ATOM 1254 N LYS A 85 0.740 1.933 9.423 1.00 0.00 N ATOM 1255 CA LYS A 85 0.832 3.361 9.159 1.00 0.00 C ATOM 1256 C LYS A 85 0.727 3.586 7.657 1.00 0.00 C ATOM 1257 O LYS A 85 1.646 3.237 6.918 1.00 0.00 O ATOM 1258 CB LYS A 85 2.135 3.974 9.702 1.00 0.00 C ATOM 1259 CG LYS A 85 1.894 4.745 11.001 1.00 0.00 C ATOM 1260 CD LYS A 85 3.186 5.436 11.458 1.00 0.00 C ATOM 1261 CE LYS A 85 3.121 5.832 12.936 1.00 0.00 C ATOM 1262 NZ LYS A 85 3.336 4.681 13.839 1.00 0.00 N ATOM 0 H LYS A 85 1.631 1.472 9.604 1.00 0.00 H new ATOM 0 HA LYS A 85 0.013 3.860 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.865 3.183 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.563 4.643 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.110 5.487 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.544 4.064 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.033 4.769 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.359 6.324 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.873 6.594 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.150 6.279 13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.842 4.849 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.964 3.817 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.354 4.567 14.019 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.401 4.120 7.204 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.684 4.342 5.794 1.00 0.00 C ATOM 1278 C VAL A 86 -0.221 5.754 5.461 1.00 0.00 C ATOM 1279 O VAL A 86 -0.754 6.726 5.992 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.181 4.133 5.511 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.456 4.233 4.002 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.623 2.762 6.050 1.00 0.00 C ATOM 0 H VAL A 86 -1.158 4.416 7.820 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.154 3.629 5.162 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.753 4.912 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.519 4.083 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.160 5.219 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.884 3.468 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.684 2.617 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.049 1.976 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.449 2.721 7.125 1.00 0.00 H new ATOM 1292 N TYR A 87 0.786 5.862 4.608 1.00 0.00 N ATOM 1293 CA TYR A 87 1.283 7.093 4.030 1.00 0.00 C ATOM 1294 C TYR A 87 0.484 7.477 2.797 1.00 0.00 C ATOM 1295 O TYR A 87 -0.168 6.628 2.195 1.00 0.00 O ATOM 1296 CB TYR A 87 2.754 6.900 3.644 1.00 0.00 C ATOM 1297 CG TYR A 87 3.649 7.200 4.820 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.648 6.373 5.961 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.369 8.397 4.825 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.321 6.790 7.122 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.042 8.824 5.970 1.00 0.00 C ATOM 1302 CZ TYR A 87 4.996 8.032 7.142 1.00 0.00 C ATOM 1303 OH TYR A 87 5.544 8.460 8.309 1.00 0.00 O ATOM 0 H TYR A 87 1.305 5.045 4.285 1.00 0.00 H new ATOM 0 HA TYR A 87 1.183 7.892 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.917 5.876 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.007 7.555 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.133 5.424 5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.405 9.000 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.323 6.161 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.594 9.752 5.962 1.00 0.00 H new ATOM 0 HH TYR A 87 5.975 9.329 8.169 1.00 0.00 H new ATOM 1313 N ARG A 88 0.592 8.730 2.365 1.00 0.00 N ATOM 1314 CA ARG A 88 0.233 9.165 1.024 1.00 0.00 C ATOM 1315 C ARG A 88 1.466 9.053 0.131 1.00 0.00 C ATOM 1316 O ARG A 88 2.581 9.099 0.633 1.00 0.00 O ATOM 1317 CB ARG A 88 -0.268 10.616 1.080 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.759 11.147 -0.275 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.133 11.823 -0.361 1.00 0.00 C ATOM 1320 NE ARG A 88 -3.345 11.026 -0.112 1.00 0.00 N ATOM 1321 CZ ARG A 88 -4.594 11.535 -0.146 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.808 12.819 -0.377 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -5.653 10.754 0.055 1.00 0.00 N ATOM 0 H ARG A 88 0.940 9.487 2.954 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.562 8.540 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.080 10.684 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.536 11.256 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.019 11.862 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.761 10.311 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.135 12.652 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.224 12.255 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.235 10.034 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.020 13.447 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.761 13.181 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.525 9.759 0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.592 11.151 0.027 1.00 0.00 H new ATOM 1337 N PHE A 89 1.241 8.949 -1.175 1.00 0.00 N ATOM 1338 CA PHE A 89 2.187 9.116 -2.269 1.00 0.00 C ATOM 1339 C PHE A 89 1.695 10.243 -3.204 1.00 0.00 C ATOM 1340 O PHE A 89 0.569 10.713 -3.056 1.00 0.00 O ATOM 1341 CB PHE A 89 2.393 7.720 -2.910 1.00 0.00 C ATOM 1342 CG PHE A 89 2.304 7.577 -4.427 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.041 7.723 -5.035 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.408 7.225 -5.237 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.863 7.540 -6.415 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.216 7.031 -6.606 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.959 7.184 -7.208 1.00 0.00 C ATOM 0 H PHE A 89 0.309 8.726 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 89 3.174 9.454 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.375 7.360 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.656 7.046 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.189 7.982 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.389 7.107 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.112 7.673 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.061 6.755 -7.220 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.839 7.029 -8.270 1.00 0.00 H new ATOM 1357 N GLU A 90 2.481 10.691 -4.177 1.00 0.00 N ATOM 1358 CA GLU A 90 1.997 11.543 -5.264 1.00 0.00 C ATOM 1359 C GLU A 90 2.919 11.427 -6.472 1.00 0.00 C ATOM 1360 O GLU A 90 3.938 12.111 -6.585 1.00 0.00 O ATOM 1361 CB GLU A 90 1.847 13.002 -4.810 1.00 0.00 C ATOM 1362 CG GLU A 90 1.127 13.855 -5.861 1.00 0.00 C ATOM 1363 CD GLU A 90 0.798 15.239 -5.311 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.141 15.316 -4.249 1.00 0.00 O ATOM 1365 OE2 GLU A 90 1.162 16.244 -5.970 1.00 0.00 O ATOM 0 H GLU A 90 3.476 10.474 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 90 1.005 11.197 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.292 13.036 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.832 13.424 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.754 13.952 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.209 13.356 -6.173 1.00 0.00 H new ATOM 1372 N GLY A 91 2.521 10.567 -7.399 1.00 0.00 N ATOM 1373 CA GLY A 91 3.268 10.240 -8.594 1.00 0.00 C ATOM 1374 C GLY A 91 4.432 9.325 -8.252 1.00 0.00 C ATOM 1375 O GLY A 91 5.100 9.490 -7.228 1.00 0.00 O ATOM 0 H GLY A 91 1.637 10.063 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.615 9.754 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.638 11.153 -9.061 1.00 0.00 H new ATOM 1379 N GLY A 92 4.669 8.331 -9.108 1.00 0.00 N ATOM 1380 CA GLY A 92 5.847 7.505 -8.976 1.00 0.00 C ATOM 1381 C GLY A 92 5.714 6.084 -9.487 1.00 0.00 C ATOM 1382 O GLY A 92 4.618 5.528 -9.605 1.00 0.00 O ATOM 0 H GLY A 92 4.061 8.087 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.668 7.987 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.126 7.468 -7.923 1.00 0.00 H new ATOM 1386 N THR A 93 6.855 5.479 -9.779 1.00 0.00 N ATOM 1387 CA THR A 93 7.007 4.044 -9.892 1.00 0.00 C ATOM 1388 C THR A 93 7.279 3.466 -8.497 1.00 0.00 C ATOM 1389 O THR A 93 7.475 4.230 -7.554 1.00 0.00 O ATOM 1390 CB THR A 93 8.120 3.756 -10.908 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.304 4.443 -10.551 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.691 4.176 -12.319 1.00 0.00 C ATOM 0 H THR A 93 7.722 5.990 -9.948 1.00 0.00 H new ATOM 0 HA THR A 93 6.103 3.560 -10.261 1.00 0.00 H new ATOM 0 HB THR A 93 8.311 2.683 -10.902 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.006 4.248 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.496 3.963 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.799 3.621 -12.609 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.473 5.244 -12.330 1.00 0.00 H new ATOM 1400 N VAL A 94 7.248 2.138 -8.316 1.00 0.00 N ATOM 1401 CA VAL A 94 7.451 1.485 -7.028 1.00 0.00 C ATOM 1402 C VAL A 94 8.595 2.124 -6.239 1.00 0.00 C ATOM 1403 O VAL A 94 8.380 2.428 -5.071 1.00 0.00 O ATOM 1404 CB VAL A 94 7.603 -0.032 -7.236 1.00 0.00 C ATOM 1405 CG1 VAL A 94 8.034 -0.757 -5.958 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.287 -0.637 -7.739 1.00 0.00 C ATOM 0 H VAL A 94 7.078 1.482 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 94 6.571 1.635 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 94 8.387 -0.169 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.127 -1.824 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.995 -0.366 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.287 -0.598 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.411 -1.711 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.500 -0.456 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.013 -0.175 -8.687 1.00 0.00 H new ATOM 1416 N GLN A 95 9.762 2.371 -6.843 1.00 0.00 N ATOM 1417 CA GLN A 95 10.877 2.958 -6.110 1.00 0.00 C ATOM 1418 C GLN A 95 10.604 4.343 -5.519 1.00 0.00 C ATOM 1419 O GLN A 95 11.125 4.634 -4.451 1.00 0.00 O ATOM 1420 CB GLN A 95 12.148 2.980 -6.968 1.00 0.00 C ATOM 1421 CG GLN A 95 13.373 3.220 -6.065 1.00 0.00 C ATOM 1422 CD GLN A 95 14.699 2.769 -6.663 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.765 1.954 -7.579 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.799 3.242 -6.102 1.00 0.00 N ATOM 0 H GLN A 95 9.953 2.175 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 95 11.022 2.302 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.256 2.036 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.078 3.765 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.436 4.284 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.219 2.699 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.733 3.919 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.713 2.930 -6.430 1.00 0.00 H new ATOM 1433 N GLU A 96 9.792 5.176 -6.157 1.00 0.00 N ATOM 1434 CA GLU A 96 9.496 6.541 -5.748 1.00 0.00 C ATOM 1435 C GLU A 96 8.783 6.519 -4.422 1.00 0.00 C ATOM 1436 O GLU A 96 9.191 7.241 -3.530 1.00 0.00 O ATOM 1437 CB GLU A 96 8.558 7.206 -6.750 1.00 0.00 C ATOM 1438 CG GLU A 96 9.234 7.554 -8.075 1.00 0.00 C ATOM 1439 CD GLU A 96 10.369 8.567 -7.939 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.129 9.660 -7.376 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.455 8.288 -8.502 1.00 0.00 O ATOM 0 H GLU A 96 9.301 4.906 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 96 10.436 7.089 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.716 6.542 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.152 8.116 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.626 6.641 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.486 7.950 -8.761 1.00 0.00 H new ATOM 1448 N ALA A 97 7.773 5.660 -4.256 1.00 0.00 N ATOM 1449 CA ALA A 97 7.101 5.492 -2.985 1.00 0.00 C ATOM 1450 C ALA A 97 8.104 5.326 -1.833 1.00 0.00 C ATOM 1451 O ALA A 97 7.872 5.812 -0.735 1.00 0.00 O ATOM 1452 CB ALA A 97 6.176 4.279 -3.128 1.00 0.00 C ATOM 0 H ALA A 97 7.407 5.068 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 97 6.520 6.379 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.646 4.113 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.455 4.463 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.768 3.397 -3.371 1.00 0.00 H new ATOM 1458 N ILE A 98 9.219 4.647 -2.078 1.00 0.00 N ATOM 1459 CA ILE A 98 10.217 4.268 -1.086 1.00 0.00 C ATOM 1460 C ILE A 98 11.190 5.410 -0.939 1.00 0.00 C ATOM 1461 O ILE A 98 11.386 5.874 0.171 1.00 0.00 O ATOM 1462 CB ILE A 98 10.990 3.010 -1.531 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.128 2.056 -2.344 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.631 2.311 -0.322 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.849 1.583 -1.658 1.00 0.00 C ATOM 0 H ILE A 98 9.462 4.332 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 98 9.717 4.049 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 98 11.790 3.337 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.859 2.545 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.727 1.182 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.171 1.426 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.324 2.995 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.853 2.016 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.308 0.908 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.103 1.059 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.221 2.443 -1.426 1.00 0.00 H new ATOM 1477 N ASP A 99 11.802 5.861 -2.030 1.00 0.00 N ATOM 1478 CA ASP A 99 12.779 6.938 -2.068 1.00 0.00 C ATOM 1479 C ASP A 99 12.155 8.182 -1.456 1.00 0.00 C ATOM 1480 O ASP A 99 12.802 8.875 -0.679 1.00 0.00 O ATOM 1481 CB ASP A 99 13.271 7.195 -3.503 1.00 0.00 C ATOM 1482 CG ASP A 99 14.711 6.717 -3.683 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.973 5.489 -3.639 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.618 7.558 -3.841 1.00 0.00 O ATOM 0 H ASP A 99 11.620 5.466 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 99 13.657 6.656 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.622 6.680 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.207 8.260 -3.728 1.00 0.00 H new ATOM 1489 N ALA A 100 10.866 8.404 -1.718 1.00 0.00 N ATOM 1490 CA ALA A 100 10.141 9.544 -1.192 1.00 0.00 C ATOM 1491 C ALA A 100 9.963 9.355 0.314 1.00 0.00 C ATOM 1492 O ALA A 100 10.371 10.206 1.094 1.00 0.00 O ATOM 1493 CB ALA A 100 8.811 9.706 -1.940 1.00 0.00 C ATOM 0 H ALA A 100 10.300 7.791 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 100 10.696 10.469 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.271 10.564 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.007 9.863 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.209 8.806 -1.811 1.00 0.00 H new ATOM 1499 N PHE A 101 9.388 8.230 0.747 1.00 0.00 N ATOM 1500 CA PHE A 101 9.134 7.938 2.157 1.00 0.00 C ATOM 1501 C PHE A 101 10.413 7.951 2.990 1.00 0.00 C ATOM 1502 O PHE A 101 10.428 8.473 4.110 1.00 0.00 O ATOM 1503 CB PHE A 101 8.452 6.562 2.241 1.00 0.00 C ATOM 1504 CG PHE A 101 8.557 5.784 3.536 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.720 6.075 4.630 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.482 4.726 3.622 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.815 5.306 5.805 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.580 3.965 4.796 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.738 4.248 5.888 1.00 0.00 C ATOM 0 H PHE A 101 9.082 7.487 0.118 1.00 0.00 H new ATOM 0 HA PHE A 101 8.491 8.715 2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.393 6.702 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.861 5.939 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.008 6.885 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.119 4.499 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.176 5.529 6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.300 3.163 4.862 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.801 3.654 6.788 1.00 0.00 H new ATOM 1519 N SER A 102 11.462 7.334 2.461 1.00 0.00 N ATOM 1520 CA SER A 102 12.735 7.128 3.120 1.00 0.00 C ATOM 1521 C SER A 102 13.445 8.469 3.267 1.00 0.00 C ATOM 1522 O SER A 102 13.915 8.799 4.355 1.00 0.00 O ATOM 1523 CB SER A 102 13.536 6.092 2.328 1.00 0.00 C ATOM 1524 OG SER A 102 13.786 6.516 1.011 1.00 0.00 O ATOM 0 H SER A 102 11.442 6.948 1.517 1.00 0.00 H new ATOM 0 HA SER A 102 12.608 6.731 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.483 5.901 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.990 5.149 2.308 1.00 0.00 H new ATOM 0 HG SER A 102 12.960 6.459 0.487 1.00 0.00 H new ATOM 1530 N GLU A 103 13.416 9.308 2.227 1.00 0.00 N ATOM 1531 CA GLU A 103 13.941 10.664 2.284 1.00 0.00 C ATOM 1532 C GLU A 103 12.815 11.626 2.680 1.00 0.00 C ATOM 1533 O GLU A 103 12.795 12.781 2.258 1.00 0.00 O ATOM 1534 CB GLU A 103 14.586 11.006 0.925 1.00 0.00 C ATOM 1535 CG GLU A 103 15.699 10.017 0.503 1.00 0.00 C ATOM 1536 CD GLU A 103 17.107 10.507 0.873 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.699 11.318 0.128 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.627 10.092 1.941 1.00 0.00 O ATOM 0 H GLU A 103 13.024 9.058 1.319 1.00 0.00 H new ATOM 0 HA GLU A 103 14.718 10.759 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.812 11.019 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.004 12.012 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.519 9.052 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.647 9.857 -0.574 1.00 0.00 H new ATOM 1545 N GLY A 104 11.954 11.154 3.591 1.00 0.00 N ATOM 1546 CA GLY A 104 10.914 11.835 4.346 1.00 0.00 C ATOM 1547 C GLY A 104 9.836 12.590 3.573 1.00 0.00 C ATOM 1548 O GLY A 104 8.890 13.070 4.193 1.00 0.00 O ATOM 0 H GLY A 104 11.980 10.165 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.417 11.093 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.400 12.543 5.017 1.00 0.00 H new ATOM 1552 N ARG A 105 9.888 12.634 2.247 1.00 0.00 N ATOM 1553 CA ARG A 105 9.045 13.465 1.395 1.00 0.00 C ATOM 1554 C ARG A 105 7.691 12.819 1.142 1.00 0.00 C ATOM 1555 O ARG A 105 7.111 13.000 0.071 1.00 0.00 O ATOM 1556 CB ARG A 105 9.770 13.621 0.053 1.00 0.00 C ATOM 1557 CG ARG A 105 10.990 14.541 0.116 1.00 0.00 C ATOM 1558 CD ARG A 105 12.016 14.112 -0.936 1.00 0.00 C ATOM 1559 NE ARG A 105 12.853 15.257 -1.320 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.816 15.865 -2.511 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.262 15.281 -3.567 1.00 0.00 N ATOM 1562 NH2 ARG A 105 13.319 17.082 -2.646 1.00 0.00 N ATOM 0 H ARG A 105 10.547 12.067 1.713 1.00 0.00 H new ATOM 0 HA ARG A 105 8.872 14.423 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.085 12.638 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.069 14.012 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.688 15.574 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.436 14.502 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.641 13.311 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.505 13.715 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 105 13.511 15.615 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.854 14.350 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.245 15.763 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.734 17.554 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.292 17.547 -3.553 1.00 0.00 H new ATOM 1576 N LEU A 106 7.099 12.154 2.127 1.00 0.00 N ATOM 1577 CA LEU A 106 5.723 11.699 2.063 1.00 0.00 C ATOM 1578 C LEU A 106 4.992 12.185 3.314 1.00 0.00 C ATOM 1579 O LEU A 106 5.512 13.027 4.048 1.00 0.00 O ATOM 1580 CB LEU A 106 5.639 10.182 1.888 1.00 0.00 C ATOM 1581 CG LEU A 106 6.098 9.607 0.532 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.674 8.136 0.458 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.499 10.262 -0.728 1.00 0.00 C ATOM 0 H LEU A 106 7.569 11.915 3.000 1.00 0.00 H new ATOM 0 HA LEU A 106 5.236 12.122 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.236 9.717 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.605 9.879 2.052 1.00 0.00 H new ATOM 0 HG LEU A 106 7.173 9.788 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.991 7.713 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.139 7.582 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.590 8.065 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.897 9.772 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.414 10.158 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.762 11.320 -0.748 1.00 0.00 H new ATOM 1595 N GLU A 107 3.763 11.719 3.529 1.00 0.00 N ATOM 1596 CA GLU A 107 2.835 12.223 4.530 1.00 0.00 C ATOM 1597 C GLU A 107 2.122 11.038 5.158 1.00 0.00 C ATOM 1598 O GLU A 107 1.799 10.088 4.453 1.00 0.00 O ATOM 1599 CB GLU A 107 1.787 13.098 3.831 1.00 0.00 C ATOM 1600 CG GLU A 107 2.382 14.338 3.160 1.00 0.00 C ATOM 1601 CD GLU A 107 2.572 15.455 4.190 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.372 15.311 5.145 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.816 16.450 4.123 1.00 0.00 O ATOM 0 H GLU A 107 3.374 10.948 2.986 1.00 0.00 H new ATOM 0 HA GLU A 107 3.368 12.799 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.268 12.501 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.041 13.412 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.339 14.089 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.725 14.679 2.360 1.00 0.00 H new ATOM 1610 N GLU A 108 1.811 11.107 6.448 1.00 0.00 N ATOM 1611 CA GLU A 108 1.036 10.116 7.170 1.00 0.00 C ATOM 1612 C GLU A 108 -0.432 10.391 6.832 1.00 0.00 C ATOM 1613 O GLU A 108 -0.997 11.422 7.206 1.00 0.00 O ATOM 1614 CB GLU A 108 1.357 10.261 8.670 1.00 0.00 C ATOM 1615 CG GLU A 108 1.434 8.921 9.416 1.00 0.00 C ATOM 1616 CD GLU A 108 1.189 9.091 10.924 1.00 0.00 C ATOM 1617 OE1 GLU A 108 0.179 9.732 11.313 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.978 8.561 11.732 1.00 0.00 O ATOM 0 H GLU A 108 2.105 11.886 7.038 1.00 0.00 H new ATOM 0 HA GLU A 108 1.268 9.087 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.307 10.784 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.594 10.884 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.696 8.233 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.414 8.472 9.256 1.00 0.00 H new ATOM 1625 N LEU A 109 -1.040 9.514 6.038 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.407 9.643 5.546 1.00 0.00 C ATOM 1627 C LEU A 109 -3.377 9.020 6.559 1.00 0.00 C ATOM 1628 O LEU A 109 -4.283 8.269 6.207 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.504 9.077 4.116 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.827 9.467 3.449 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.874 10.935 3.028 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.192 8.556 2.284 1.00 0.00 C ATOM 0 H LEU A 109 -0.579 8.666 5.709 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.701 10.689 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.671 9.448 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.416 7.991 4.146 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.584 9.329 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.836 11.149 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.746 11.569 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.073 11.135 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.138 8.881 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.410 8.604 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.289 7.531 2.641 1.00 0.00 H new ATOM 1644 N THR A 110 -3.209 9.277 7.855 1.00 0.00 N ATOM 1645 CA THR A 110 -3.846 8.452 8.879 1.00 0.00 C ATOM 1646 C THR A 110 -5.240 8.973 9.253 1.00 0.00 C ATOM 1647 O THR A 110 -5.714 8.714 10.355 1.00 0.00 O ATOM 1648 CB THR A 110 -2.869 8.404 10.079 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.304 9.687 10.325 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.757 7.409 9.744 1.00 0.00 C ATOM 0 H THR A 110 -2.642 10.043 8.218 1.00 0.00 H new ATOM 0 HA THR A 110 -4.029 7.442 8.511 1.00 0.00 H new ATOM 0 HB THR A 110 -3.407 8.096 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.478 9.587 10.843 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.054 7.356 10.575 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.190 6.424 9.572 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.234 7.737 8.846 1.00 0.00 H new ATOM 1658 N THR A 111 -6.009 9.495 8.286 1.00 0.00 N ATOM 1659 CA THR A 111 -7.365 10.022 8.519 1.00 0.00 C ATOM 1660 C THR A 111 -8.077 10.387 7.193 1.00 0.00 C ATOM 1661 O THR A 111 -8.815 11.375 7.119 1.00 0.00 O ATOM 1662 CB THR A 111 -7.257 11.207 9.524 1.00 0.00 C ATOM 1663 OG1 THR A 111 -8.521 11.714 9.891 1.00 0.00 O ATOM 1664 CG2 THR A 111 -6.389 12.374 9.040 1.00 0.00 C ATOM 0 H THR A 111 -5.707 9.565 7.314 1.00 0.00 H new ATOM 0 HA THR A 111 -8.001 9.255 8.962 1.00 0.00 H new ATOM 0 HB THR A 111 -6.764 10.763 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.082 11.804 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.370 13.154 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.374 12.021 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.805 12.778 8.117 1.00 0.00 H new ATOM 1672 N PHE A 112 -7.903 9.595 6.126 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.384 9.978 4.799 1.00 0.00 C ATOM 1674 C PHE A 112 -9.024 8.785 4.112 1.00 0.00 C ATOM 1675 O PHE A 112 -8.392 7.745 3.920 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.281 10.558 3.921 1.00 0.00 C ATOM 1677 CG PHE A 112 -6.567 11.802 4.436 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -5.712 11.743 5.555 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -6.631 12.995 3.693 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -4.953 12.860 5.943 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -5.851 14.105 4.060 1.00 0.00 C ATOM 1682 CZ PHE A 112 -5.016 14.040 5.189 1.00 0.00 C ATOM 0 H PHE A 112 -7.434 8.690 6.159 1.00 0.00 H new ATOM 0 HA PHE A 112 -9.126 10.763 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.534 9.781 3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.712 10.793 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.639 10.827 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.284 13.058 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.323 12.810 6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.893 15.011 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.424 14.897 5.475 1.00 0.00 H new ATOM 1692 N THR A 113 -10.272 8.982 3.709 1.00 0.00 N ATOM 1693 CA THR A 113 -11.086 7.967 3.046 1.00 0.00 C ATOM 1694 C THR A 113 -12.131 8.654 2.150 1.00 0.00 C ATOM 1695 O THR A 113 -13.256 8.177 1.985 1.00 0.00 O ATOM 1696 CB THR A 113 -11.777 7.069 4.108 1.00 0.00 C ATOM 1697 OG1 THR A 113 -11.245 7.188 5.422 1.00 0.00 O ATOM 1698 CG2 THR A 113 -11.638 5.598 3.714 1.00 0.00 C ATOM 0 H THR A 113 -10.759 9.869 3.836 1.00 0.00 H new ATOM 0 HA THR A 113 -10.451 7.336 2.424 1.00 0.00 H new ATOM 0 HB THR A 113 -12.812 7.410 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 113 -10.585 6.479 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.125 4.973 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.108 5.435 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.582 5.336 3.654 1.00 0.00 H new ATOM 1706 N ARG A 114 -11.745 9.755 1.497 1.00 0.00 N ATOM 1707 CA ARG A 114 -12.612 10.481 0.578 1.00 0.00 C ATOM 1708 C ARG A 114 -12.056 10.273 -0.811 1.00 0.00 C ATOM 1709 O ARG A 114 -11.011 10.837 -1.156 1.00 0.00 O ATOM 1710 CB ARG A 114 -12.761 11.956 0.975 1.00 0.00 C ATOM 1711 CG ARG A 114 -13.675 12.760 0.030 1.00 0.00 C ATOM 1712 CD ARG A 114 -15.089 12.172 -0.076 1.00 0.00 C ATOM 1713 NE ARG A 114 -15.949 12.967 -0.960 1.00 0.00 N ATOM 1714 CZ ARG A 114 -17.288 13.022 -0.926 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -17.995 12.488 0.069 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -17.935 13.610 -1.919 1.00 0.00 N ATOM 0 H ARG A 114 -10.816 10.166 1.595 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.632 10.098 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -13.160 12.012 1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.775 12.420 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -13.740 13.789 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -13.225 12.792 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -15.030 11.150 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -15.536 12.122 0.917 1.00 0.00 H new ATOM 0 HE ARG A 114 -15.483 13.533 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -17.518 12.018 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -19.013 12.549 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -17.415 14.014 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -18.954 13.659 -1.906 1.00 0.00 H new ATOM 1730 N GLU A 115 -12.725 9.400 -1.540 1.00 0.00 N ATOM 1731 CA GLU A 115 -12.427 8.993 -2.894 1.00 0.00 C ATOM 1732 C GLU A 115 -13.381 9.769 -3.807 1.00 0.00 C ATOM 1733 O GLU A 115 -14.450 9.268 -4.151 1.00 0.00 O ATOM 1734 CB GLU A 115 -12.619 7.465 -2.923 1.00 0.00 C ATOM 1735 CG GLU A 115 -12.269 6.749 -4.239 1.00 0.00 C ATOM 1736 CD GLU A 115 -12.617 5.251 -4.200 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -13.251 4.783 -3.225 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -12.268 4.503 -5.147 1.00 0.00 O ATOM 0 H GLU A 115 -13.549 8.925 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.415 9.209 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.013 7.031 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.660 7.248 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.805 7.223 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.205 6.867 -4.442 1.00 0.00 H new ATOM 1745 N GLY A 116 -13.018 10.999 -4.176 1.00 0.00 N ATOM 1746 CA GLY A 116 -13.748 11.821 -5.134 1.00 0.00 C ATOM 1747 C GLY A 116 -14.427 13.029 -4.522 1.00 0.00 C ATOM 1748 O GLY A 116 -14.987 13.804 -5.330 1.00 0.00 O ATOM 0 H GLY A 116 -12.187 11.460 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -13.058 12.159 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.501 11.205 -5.626 1.00 0.00 H new TER 1752 GLY A 116