USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= -0.378 USER MOD Single : A 4 GLN : amide:sc= -0.72 K(o=-0.72,f=-0.17) USER MOD Single : A 6 HIS : no HE2:sc= -12.3! C(o=-12!,f=-12!) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.0511 (180deg=-0.357) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.0602 USER MOD Single : A 17 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-4.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -3.86! USER MOD Single : A 36 CYS SG : rot 50:sc= -10.4! USER MOD Single : A 40 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 43 THR OG1 : rot -140:sc= -2.12 USER MOD Single : A 53 SER OG : rot -173:sc= -2.65! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 177:sc= -26! (180deg=-26.1!) USER MOD Single : A 66 GLN : amide:sc= -6.68! C(o=-6.7!,f=-6.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.641 7.649 5.998 1.00 0.00 N ATOM 2 CA PRO A 1 -1.988 6.702 4.893 1.00 0.00 C ATOM 3 C PRO A 1 -2.644 5.450 5.476 1.00 0.00 C ATOM 4 O PRO A 1 -2.574 5.208 6.661 1.00 0.00 O ATOM 5 CB PRO A 1 -0.699 6.324 4.167 1.00 0.00 C ATOM 6 CG PRO A 1 0.447 7.033 4.877 1.00 0.00 C ATOM 7 CD PRO A 1 -0.158 7.841 6.022 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.964 7.281 6.893 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.110 8.543 5.857 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.686 7.169 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.552 5.244 4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.746 6.623 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.169 6.310 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.981 7.686 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.252 7.513 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.090 8.897 5.915 1.00 0.00 H new ATOM 17 N ILE A 2 -3.280 4.663 4.642 1.00 0.00 N ATOM 18 CA ILE A 2 -3.961 3.417 5.103 1.00 0.00 C ATOM 19 C ILE A 2 -5.332 3.768 5.682 1.00 0.00 C ATOM 20 O ILE A 2 -6.341 3.259 5.244 1.00 0.00 O ATOM 21 CB ILE A 2 -3.104 2.716 6.148 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.697 2.529 5.600 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.694 1.350 6.486 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.750 3.417 6.387 1.00 0.00 C ATOM 0 H ILE A 2 -3.356 4.838 3.640 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.098 2.742 4.258 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.077 3.326 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.394 1.485 5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.666 2.787 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.071 0.860 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.703 1.477 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.730 0.736 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.264 3.295 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.055 4.458 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.779 3.136 7.440 1.00 0.00 H new ATOM 36 N SER A 3 -5.392 4.643 6.649 1.00 0.00 N ATOM 37 CA SER A 3 -6.715 5.016 7.218 1.00 0.00 C ATOM 38 C SER A 3 -7.680 5.282 6.064 1.00 0.00 C ATOM 39 O SER A 3 -8.770 4.745 6.012 1.00 0.00 O ATOM 40 CB SER A 3 -6.572 6.275 8.073 1.00 0.00 C ATOM 41 OG SER A 3 -6.244 7.376 7.236 1.00 0.00 O ATOM 0 H SER A 3 -4.588 5.112 7.066 1.00 0.00 H new ATOM 0 HA SER A 3 -7.095 4.208 7.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.501 6.473 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.796 6.132 8.825 1.00 0.00 H new ATOM 0 HG SER A 3 -6.153 8.185 7.781 1.00 0.00 H new ATOM 47 N GLN A 4 -7.279 6.093 5.121 1.00 0.00 N ATOM 48 CA GLN A 4 -8.163 6.371 3.960 1.00 0.00 C ATOM 49 C GLN A 4 -8.486 5.047 3.274 1.00 0.00 C ATOM 50 O GLN A 4 -9.634 4.712 3.054 1.00 0.00 O ATOM 51 CB GLN A 4 -7.450 7.303 2.976 1.00 0.00 C ATOM 52 CG GLN A 4 -7.252 8.676 3.621 1.00 0.00 C ATOM 53 CD GLN A 4 -7.853 9.756 2.719 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.397 10.730 3.200 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.778 9.624 1.423 1.00 0.00 N ATOM 0 H GLN A 4 -6.379 6.572 5.108 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.081 6.854 4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.486 6.881 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.036 7.400 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.727 8.701 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.190 8.867 3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.321 8.806 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.176 10.339 0.814 1.00 0.00 H new ATOM 64 N VAL A 5 -7.483 4.274 2.953 1.00 0.00 N ATOM 65 CA VAL A 5 -7.753 2.963 2.308 1.00 0.00 C ATOM 66 C VAL A 5 -8.812 2.255 3.139 1.00 0.00 C ATOM 67 O VAL A 5 -9.962 2.240 2.782 1.00 0.00 O ATOM 68 CB VAL A 5 -6.469 2.123 2.272 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.711 0.802 1.540 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.356 2.903 1.570 1.00 0.00 C ATOM 0 H VAL A 5 -6.499 4.493 3.109 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.098 3.103 1.283 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.169 1.906 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.789 0.220 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.488 0.237 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.028 1.006 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.448 2.301 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.662 3.135 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.164 3.830 2.111 1.00 0.00 H new ATOM 80 N HIS A 6 -8.431 1.698 4.262 1.00 0.00 N ATOM 81 CA HIS A 6 -9.407 1.010 5.149 1.00 0.00 C ATOM 82 C HIS A 6 -10.796 1.638 4.992 1.00 0.00 C ATOM 83 O HIS A 6 -11.796 0.953 4.921 1.00 0.00 O ATOM 84 CB HIS A 6 -8.943 1.175 6.595 1.00 0.00 C ATOM 85 CG HIS A 6 -7.694 0.371 6.826 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.728 -1.002 7.016 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.367 0.728 6.911 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.462 -1.417 7.204 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.594 -0.404 7.150 1.00 0.00 N ATOM 0 H HIS A 6 -7.470 1.693 4.603 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.465 -0.045 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.753 2.227 6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.728 0.848 7.277 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.561 -1.590 7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.985 1.733 6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.182 -2.445 7.378 1.00 0.00 H new ATOM 97 N GLU A 7 -10.856 2.943 4.919 1.00 0.00 N ATOM 98 CA GLU A 7 -12.172 3.621 4.761 1.00 0.00 C ATOM 99 C GLU A 7 -12.849 3.166 3.466 1.00 0.00 C ATOM 100 O GLU A 7 -13.901 2.562 3.489 1.00 0.00 O ATOM 101 CB GLU A 7 -11.960 5.135 4.720 1.00 0.00 C ATOM 102 CG GLU A 7 -12.444 5.754 6.032 1.00 0.00 C ATOM 103 CD GLU A 7 -13.954 5.554 6.165 1.00 0.00 C ATOM 104 OE1 GLU A 7 -14.643 5.717 5.172 1.00 0.00 O ATOM 105 OE2 GLU A 7 -14.397 5.240 7.258 1.00 0.00 O ATOM 0 H GLU A 7 -10.049 3.566 4.962 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.811 3.360 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.905 5.361 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.504 5.566 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.930 5.293 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.204 6.817 6.055 1.00 0.00 H new ATOM 112 N ILE A 8 -12.265 3.464 2.336 1.00 0.00 N ATOM 113 CA ILE A 8 -12.888 3.065 1.041 1.00 0.00 C ATOM 114 C ILE A 8 -12.810 1.548 0.849 1.00 0.00 C ATOM 115 O ILE A 8 -13.783 0.906 0.521 1.00 0.00 O ATOM 116 CB ILE A 8 -12.145 3.753 -0.108 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.641 3.464 -0.006 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.375 5.263 -0.032 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.285 2.231 -0.844 1.00 0.00 C ATOM 0 H ILE A 8 -11.382 3.967 2.254 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.936 3.366 1.049 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.522 3.370 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.072 4.326 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.364 3.298 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.846 5.753 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.442 5.473 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.001 5.641 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.216 2.034 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.841 1.368 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.545 2.413 -1.887 1.00 0.00 H new ATOM 131 N GLY A 9 -11.659 0.975 1.033 1.00 0.00 N ATOM 132 CA GLY A 9 -11.513 -0.485 0.844 1.00 0.00 C ATOM 133 C GLY A 9 -12.653 -1.204 1.557 1.00 0.00 C ATOM 134 O GLY A 9 -13.387 -1.963 0.962 1.00 0.00 O ATOM 0 H GLY A 9 -10.806 1.462 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.523 -0.728 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.554 -0.820 1.239 1.00 0.00 H new ATOM 138 N ILE A 10 -12.810 -0.977 2.829 1.00 0.00 N ATOM 139 CA ILE A 10 -13.909 -1.662 3.559 1.00 0.00 C ATOM 140 C ILE A 10 -15.256 -1.089 3.102 1.00 0.00 C ATOM 141 O ILE A 10 -16.259 -1.775 3.078 1.00 0.00 O ATOM 142 CB ILE A 10 -13.709 -1.458 5.073 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.223 -2.770 5.666 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.017 -1.043 5.766 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.238 -3.866 5.339 1.00 0.00 C ATOM 0 H ILE A 10 -12.231 -0.353 3.391 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.899 -2.731 3.345 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.983 -0.660 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.245 -3.028 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.105 -2.675 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.837 -0.908 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.375 -0.107 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.768 -1.819 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.899 -4.813 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.206 -3.605 5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.333 -3.963 4.257 1.00 0.00 H new ATOM 157 N LYS A 11 -15.288 0.167 2.764 1.00 0.00 N ATOM 158 CA LYS A 11 -16.569 0.792 2.335 1.00 0.00 C ATOM 159 C LYS A 11 -16.911 0.379 0.901 1.00 0.00 C ATOM 160 O LYS A 11 -17.957 0.718 0.384 1.00 0.00 O ATOM 161 CB LYS A 11 -16.428 2.313 2.405 1.00 0.00 C ATOM 162 CG LYS A 11 -16.660 2.784 3.842 1.00 0.00 C ATOM 163 CD LYS A 11 -18.030 2.302 4.322 1.00 0.00 C ATOM 164 CE LYS A 11 -18.724 3.424 5.098 1.00 0.00 C ATOM 165 NZ LYS A 11 -19.115 4.512 4.157 1.00 0.00 N ATOM 0 H LYS A 11 -14.481 0.790 2.766 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.369 0.458 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.435 2.612 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.147 2.786 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.877 2.396 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.607 3.872 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.641 2.003 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.916 1.423 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.606 3.036 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.057 3.815 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.928 5.032 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.315 5.165 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.375 4.100 3.238 1.00 0.00 H new ATOM 179 N ARG A 12 -16.043 -0.342 0.252 1.00 0.00 N ATOM 180 CA ARG A 12 -16.329 -0.761 -1.150 1.00 0.00 C ATOM 181 C ARG A 12 -16.004 -2.246 -1.312 1.00 0.00 C ATOM 182 O ARG A 12 -15.878 -2.746 -2.412 1.00 0.00 O ATOM 183 CB ARG A 12 -15.468 0.057 -2.116 1.00 0.00 C ATOM 184 CG ARG A 12 -16.369 0.963 -2.958 1.00 0.00 C ATOM 185 CD ARG A 12 -16.759 2.198 -2.139 1.00 0.00 C ATOM 186 NE ARG A 12 -18.203 2.130 -1.764 1.00 0.00 N ATOM 187 CZ ARG A 12 -19.083 1.663 -2.607 1.00 0.00 C ATOM 188 NH1 ARG A 12 -19.493 2.403 -3.601 1.00 0.00 N ATOM 189 NH2 ARG A 12 -19.554 0.455 -2.457 1.00 0.00 N ATOM 0 H ARG A 12 -15.150 -0.660 0.628 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.383 -0.591 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.748 0.657 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.896 -0.608 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.850 1.266 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -17.263 0.420 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.144 2.257 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.567 3.102 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.503 2.451 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -19.126 3.347 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -20.181 2.037 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.234 -0.124 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -20.242 0.090 -3.116 1.00 0.00 H new ATOM 203 N ASN A 13 -15.868 -2.949 -0.220 1.00 0.00 N ATOM 204 CA ASN A 13 -15.553 -4.404 -0.294 1.00 0.00 C ATOM 205 C ASN A 13 -14.056 -4.603 -0.544 1.00 0.00 C ATOM 206 O ASN A 13 -13.548 -5.702 -0.443 1.00 0.00 O ATOM 207 CB ASN A 13 -16.350 -5.047 -1.431 1.00 0.00 C ATOM 208 CG ASN A 13 -17.030 -6.319 -0.923 1.00 0.00 C ATOM 209 OD1 ASN A 13 -16.645 -7.414 -1.285 1.00 0.00 O ATOM 210 ND2 ASN A 13 -18.033 -6.222 -0.095 1.00 0.00 N ATOM 0 H ASN A 13 -15.962 -2.576 0.725 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.824 -4.874 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.097 -4.348 -1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.688 -5.284 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.494 -7.065 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.356 -5.304 0.209 1.00 0.00 H new ATOM 217 N MET A 14 -13.337 -3.560 -0.869 1.00 0.00 N ATOM 218 CA MET A 14 -11.881 -3.722 -1.120 1.00 0.00 C ATOM 219 C MET A 14 -11.142 -3.884 0.214 1.00 0.00 C ATOM 220 O MET A 14 -10.874 -2.928 0.907 1.00 0.00 O ATOM 221 CB MET A 14 -11.351 -2.490 -1.855 1.00 0.00 C ATOM 222 CG MET A 14 -11.203 -2.811 -3.343 1.00 0.00 C ATOM 223 SD MET A 14 -10.470 -1.395 -4.196 1.00 0.00 S ATOM 224 CE MET A 14 -9.962 -2.273 -5.695 1.00 0.00 C ATOM 0 H MET A 14 -13.695 -2.610 -0.970 1.00 0.00 H new ATOM 0 HA MET A 14 -11.715 -4.609 -1.732 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.033 -1.650 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.389 -2.190 -1.439 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.576 -3.693 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.177 -3.045 -3.774 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.476 -1.576 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.265 -3.069 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.838 -2.704 -6.179 1.00 0.00 H new ATOM 234 N THR A 15 -10.805 -5.089 0.579 1.00 0.00 N ATOM 235 CA THR A 15 -10.081 -5.294 1.867 1.00 0.00 C ATOM 236 C THR A 15 -8.881 -4.350 1.935 1.00 0.00 C ATOM 237 O THR A 15 -8.573 -3.649 0.995 1.00 0.00 O ATOM 238 CB THR A 15 -9.607 -6.751 1.981 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.021 -7.476 0.831 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.234 -7.371 3.230 1.00 0.00 C ATOM 0 H THR A 15 -10.997 -5.937 0.046 1.00 0.00 H new ATOM 0 HA THR A 15 -10.757 -5.079 2.695 1.00 0.00 H new ATOM 0 HB THR A 15 -8.520 -6.786 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.369 -7.347 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.907 -8.406 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.922 -6.809 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.320 -7.340 3.146 1.00 0.00 H new ATOM 248 N VAL A 16 -8.203 -4.327 3.046 1.00 0.00 N ATOM 249 CA VAL A 16 -7.019 -3.433 3.184 1.00 0.00 C ATOM 250 C VAL A 16 -6.023 -4.094 4.131 1.00 0.00 C ATOM 251 O VAL A 16 -6.056 -3.881 5.327 1.00 0.00 O ATOM 252 CB VAL A 16 -7.452 -2.081 3.757 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.217 -1.205 3.989 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.390 -1.386 2.769 1.00 0.00 C ATOM 0 H VAL A 16 -8.418 -4.891 3.869 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.560 -3.271 2.209 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.970 -2.237 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.525 -0.242 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.547 -1.700 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.699 -1.049 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.699 -0.423 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.871 -1.230 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.269 -2.008 2.603 1.00 0.00 H new ATOM 264 N HIS A 17 -5.141 -4.902 3.613 1.00 0.00 N ATOM 265 CA HIS A 17 -4.155 -5.576 4.519 1.00 0.00 C ATOM 266 C HIS A 17 -2.751 -5.037 4.245 1.00 0.00 C ATOM 267 O HIS A 17 -2.064 -5.472 3.343 1.00 0.00 O ATOM 268 CB HIS A 17 -4.197 -7.092 4.309 1.00 0.00 C ATOM 269 CG HIS A 17 -5.533 -7.614 4.775 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.112 -7.195 5.963 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.422 -8.507 4.223 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.293 -7.827 6.085 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.530 -8.639 5.053 1.00 0.00 N ATOM 0 H HIS A 17 -5.056 -5.126 2.621 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.418 -5.364 5.556 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.046 -7.331 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.391 -7.572 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.281 -9.027 3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.968 -7.693 6.918 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.348 -9.230 4.905 1.00 0.00 H new ATOM 281 N PHE A 18 -2.333 -4.074 5.015 1.00 0.00 N ATOM 282 CA PHE A 18 -0.991 -3.465 4.809 1.00 0.00 C ATOM 283 C PHE A 18 0.114 -4.328 5.419 1.00 0.00 C ATOM 284 O PHE A 18 0.161 -4.547 6.613 1.00 0.00 O ATOM 285 CB PHE A 18 -0.983 -2.087 5.464 1.00 0.00 C ATOM 286 CG PHE A 18 -1.617 -1.107 4.518 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.854 -0.557 3.491 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.967 -0.760 4.653 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.433 0.340 2.596 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.546 0.140 3.758 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.781 0.690 2.730 1.00 0.00 C ATOM 0 H PHE A 18 -2.870 -3.678 5.787 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.798 -3.387 3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.530 -2.112 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.038 -1.784 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.187 -0.826 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.559 -1.188 5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.841 0.765 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.586 0.411 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.229 1.386 2.037 1.00 0.00 H new ATOM 301 N LYS A 19 1.021 -4.800 4.602 1.00 0.00 N ATOM 302 CA LYS A 19 2.143 -5.625 5.118 1.00 0.00 C ATOM 303 C LYS A 19 3.356 -5.419 4.208 1.00 0.00 C ATOM 304 O LYS A 19 3.286 -5.634 3.015 1.00 0.00 O ATOM 305 CB LYS A 19 1.740 -7.102 5.116 1.00 0.00 C ATOM 306 CG LYS A 19 0.270 -7.230 5.524 1.00 0.00 C ATOM 307 CD LYS A 19 -0.129 -8.707 5.541 1.00 0.00 C ATOM 308 CE LYS A 19 0.174 -9.302 6.918 1.00 0.00 C ATOM 309 NZ LYS A 19 1.267 -10.307 6.794 1.00 0.00 N ATOM 0 H LYS A 19 1.028 -4.646 3.594 1.00 0.00 H new ATOM 0 HA LYS A 19 2.387 -5.328 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.892 -7.530 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.370 -7.663 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.115 -6.789 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.361 -6.680 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.190 -8.811 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.417 -9.251 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.467 -8.513 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.721 -9.770 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.474 -10.712 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.970 -11.065 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.121 -9.847 6.420 1.00 0.00 H new ATOM 323 N VAL A 20 4.466 -5.000 4.750 1.00 0.00 N ATOM 324 CA VAL A 20 5.670 -4.787 3.898 1.00 0.00 C ATOM 325 C VAL A 20 6.333 -6.132 3.635 1.00 0.00 C ATOM 326 O VAL A 20 6.560 -6.921 4.531 1.00 0.00 O ATOM 327 CB VAL A 20 6.630 -3.823 4.594 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.961 -3.785 3.841 1.00 0.00 C ATOM 329 CG2 VAL A 20 6.005 -2.421 4.595 1.00 0.00 C ATOM 0 H VAL A 20 4.592 -4.797 5.742 1.00 0.00 H new ATOM 0 HA VAL A 20 5.384 -4.345 2.943 1.00 0.00 H new ATOM 0 HB VAL A 20 6.808 -4.155 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.642 -3.096 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.400 -4.783 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.791 -3.449 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.680 -1.722 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.836 -2.097 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.055 -2.447 5.129 1.00 0.00 H new ATOM 339 N LEU A 21 6.614 -6.405 2.394 1.00 0.00 N ATOM 340 CA LEU A 21 7.229 -7.710 2.030 1.00 0.00 C ATOM 341 C LEU A 21 8.747 -7.600 2.099 1.00 0.00 C ATOM 342 O LEU A 21 9.437 -8.589 2.235 1.00 0.00 O ATOM 343 CB LEU A 21 6.832 -8.096 0.598 1.00 0.00 C ATOM 344 CG LEU A 21 5.569 -7.352 0.167 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.105 -7.884 -1.191 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.469 -7.584 1.203 1.00 0.00 C ATOM 0 H LEU A 21 6.443 -5.776 1.610 1.00 0.00 H new ATOM 0 HA LEU A 21 6.876 -8.469 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.648 -7.863 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.664 -9.171 0.539 1.00 0.00 H new ATOM 0 HG LEU A 21 5.781 -6.286 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.204 -7.355 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.890 -7.727 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.890 -8.950 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.566 -7.055 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.257 -8.651 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.799 -7.212 2.173 1.00 0.00 H new ATOM 358 N ARG A 22 9.273 -6.408 1.999 1.00 0.00 N ATOM 359 CA ARG A 22 10.760 -6.252 2.046 1.00 0.00 C ATOM 360 C ARG A 22 11.148 -4.879 1.493 1.00 0.00 C ATOM 361 O ARG A 22 10.439 -4.295 0.696 1.00 0.00 O ATOM 362 CB ARG A 22 11.407 -7.363 1.194 1.00 0.00 C ATOM 363 CG ARG A 22 12.845 -7.000 0.797 1.00 0.00 C ATOM 364 CD ARG A 22 13.794 -7.316 1.954 1.00 0.00 C ATOM 365 NE ARG A 22 14.793 -8.328 1.506 1.00 0.00 N ATOM 366 CZ ARG A 22 15.874 -8.534 2.207 1.00 0.00 C ATOM 367 NH1 ARG A 22 15.806 -8.602 3.509 1.00 0.00 N ATOM 368 NH2 ARG A 22 17.024 -8.674 1.606 1.00 0.00 N ATOM 0 H ARG A 22 8.745 -5.542 1.888 1.00 0.00 H new ATOM 0 HA ARG A 22 11.110 -6.331 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.408 -8.299 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.811 -7.529 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.140 -7.559 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.906 -5.942 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.300 -6.409 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.232 -7.695 2.808 1.00 0.00 H new ATOM 0 HE ARG A 22 14.631 -8.860 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.907 -8.494 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.652 -8.763 4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.077 -8.622 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.869 -8.835 2.154 1.00 0.00 H new ATOM 499 N ASN A 31 13.718 1.678 -2.162 1.00 0.00 N ATOM 500 CA ASN A 31 12.234 1.602 -2.206 1.00 0.00 C ATOM 501 C ASN A 31 11.731 0.501 -1.269 1.00 0.00 C ATOM 502 O ASN A 31 12.404 -0.478 -1.015 1.00 0.00 O ATOM 503 CB ASN A 31 11.786 1.290 -3.634 1.00 0.00 C ATOM 504 CG ASN A 31 12.495 2.231 -4.609 1.00 0.00 C ATOM 505 OD1 ASN A 31 12.272 3.426 -4.589 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.348 1.741 -5.468 1.00 0.00 N ATOM 0 HA ASN A 31 11.821 2.558 -1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.016 0.253 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.706 1.406 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.827 2.361 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.536 0.739 -5.485 1.00 0.00 H new ATOM 513 N PHE A 32 10.537 0.658 -0.772 1.00 0.00 N ATOM 514 CA PHE A 32 9.947 -0.363 0.135 1.00 0.00 C ATOM 515 C PHE A 32 8.697 -0.919 -0.538 1.00 0.00 C ATOM 516 O PHE A 32 7.752 -0.192 -0.782 1.00 0.00 O ATOM 517 CB PHE A 32 9.543 0.292 1.459 1.00 0.00 C ATOM 518 CG PHE A 32 10.720 0.331 2.402 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.900 0.984 2.027 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.625 -0.280 3.657 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.986 1.027 2.911 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.710 -0.238 4.539 1.00 0.00 C ATOM 523 CZ PHE A 32 12.891 0.415 4.167 1.00 0.00 C ATOM 0 H PHE A 32 9.937 1.462 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 32 10.672 -1.153 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.180 1.304 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.723 -0.264 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.973 1.454 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.714 -0.784 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.896 1.532 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.636 -0.710 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.728 0.447 4.848 1.00 0.00 H new ATOM 533 N ILE A 33 8.664 -2.190 -0.837 1.00 0.00 N ATOM 534 CA ILE A 33 7.459 -2.747 -1.500 1.00 0.00 C ATOM 535 C ILE A 33 6.457 -3.137 -0.432 1.00 0.00 C ATOM 536 O ILE A 33 6.463 -4.237 0.086 1.00 0.00 O ATOM 537 CB ILE A 33 7.824 -3.979 -2.328 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.270 -3.867 -2.820 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.884 -4.079 -3.530 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.466 -2.526 -3.530 1.00 0.00 C ATOM 0 H ILE A 33 9.413 -2.857 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 33 7.034 -1.996 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 33 7.725 -4.870 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.959 -3.949 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.498 -4.687 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.143 -4.957 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.855 -4.167 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.983 -3.185 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.495 -2.447 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.787 -2.462 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.255 -1.713 -2.836 1.00 0.00 H new ATOM 552 N THR A 34 5.599 -2.227 -0.099 1.00 0.00 N ATOM 553 CA THR A 34 4.582 -2.506 0.939 1.00 0.00 C ATOM 554 C THR A 34 3.353 -3.107 0.271 1.00 0.00 C ATOM 555 O THR A 34 2.657 -2.456 -0.484 1.00 0.00 O ATOM 556 CB THR A 34 4.212 -1.203 1.652 1.00 0.00 C ATOM 557 OG1 THR A 34 5.329 -0.743 2.398 1.00 0.00 O ATOM 558 CG2 THR A 34 3.031 -1.448 2.593 1.00 0.00 C ATOM 0 H THR A 34 5.557 -1.292 -0.505 1.00 0.00 H new ATOM 0 HA THR A 34 4.976 -3.208 1.674 1.00 0.00 H new ATOM 0 HB THR A 34 3.932 -0.451 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.096 0.092 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.770 -0.519 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.175 -1.801 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.305 -2.199 3.333 1.00 0.00 H new ATOM 566 N ALA A 35 3.098 -4.357 0.520 1.00 0.00 N ATOM 567 CA ALA A 35 1.927 -5.019 -0.114 1.00 0.00 C ATOM 568 C ALA A 35 0.646 -4.661 0.628 1.00 0.00 C ATOM 569 O ALA A 35 0.444 -5.062 1.752 1.00 0.00 O ATOM 570 CB ALA A 35 2.113 -6.519 -0.036 1.00 0.00 C ATOM 0 H ALA A 35 3.651 -4.952 1.137 1.00 0.00 H new ATOM 0 HA ALA A 35 1.853 -4.686 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.260 -7.016 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.025 -6.800 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.188 -6.823 1.008 1.00 0.00 H new ATOM 576 N CYS A 36 -0.243 -3.948 0.004 1.00 0.00 N ATOM 577 CA CYS A 36 -1.516 -3.621 0.695 1.00 0.00 C ATOM 578 C CYS A 36 -2.626 -4.401 -0.020 1.00 0.00 C ATOM 579 O CYS A 36 -2.818 -4.256 -1.203 1.00 0.00 O ATOM 580 CB CYS A 36 -1.786 -2.103 0.663 1.00 0.00 C ATOM 581 SG CYS A 36 -0.584 -1.241 -0.386 1.00 0.00 S ATOM 0 H CYS A 36 -0.147 -3.581 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.470 -3.903 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.794 -1.919 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.741 -1.702 1.676 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.514 -1.832 -1.542 1.00 0.00 H new ATOM 587 N ILE A 37 -3.319 -5.272 0.668 1.00 0.00 N ATOM 588 CA ILE A 37 -4.366 -6.089 -0.021 1.00 0.00 C ATOM 589 C ILE A 37 -5.639 -5.284 -0.230 1.00 0.00 C ATOM 590 O ILE A 37 -6.140 -4.647 0.686 1.00 0.00 O ATOM 591 CB ILE A 37 -4.681 -7.362 0.805 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.885 -8.544 -0.146 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.957 -7.212 1.662 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.292 -8.490 -0.752 1.00 0.00 C ATOM 0 H ILE A 37 -3.208 -5.453 1.666 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.978 -6.379 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.836 -7.525 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.137 -8.517 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.747 -9.482 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.131 -8.132 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.832 -6.383 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.810 -7.015 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.430 -9.334 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.034 -8.538 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.414 -7.559 -1.305 1.00 0.00 H new ATOM 606 N VAL A 38 -6.178 -5.365 -1.422 1.00 0.00 N ATOM 607 CA VAL A 38 -7.455 -4.672 -1.744 1.00 0.00 C ATOM 608 C VAL A 38 -8.403 -5.675 -2.400 1.00 0.00 C ATOM 609 O VAL A 38 -8.003 -6.492 -3.206 1.00 0.00 O ATOM 610 CB VAL A 38 -7.222 -3.525 -2.721 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.057 -2.221 -1.943 1.00 0.00 C ATOM 612 CG2 VAL A 38 -5.970 -3.812 -3.554 1.00 0.00 C ATOM 0 H VAL A 38 -5.776 -5.893 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.877 -4.273 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.077 -3.430 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.890 -1.400 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.959 -2.027 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.204 -2.304 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.802 -2.993 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.108 -3.908 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.107 -4.740 -4.109 1.00 0.00 H new ATOM 622 N GLY A 39 -9.653 -5.609 -2.068 1.00 0.00 N ATOM 623 CA GLY A 39 -10.647 -6.541 -2.670 1.00 0.00 C ATOM 624 C GLY A 39 -10.157 -7.983 -2.550 1.00 0.00 C ATOM 625 O GLY A 39 -10.414 -8.658 -1.573 1.00 0.00 O ATOM 0 H GLY A 39 -10.039 -4.943 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.608 -6.433 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.805 -6.289 -3.719 1.00 0.00 H new ATOM 629 N SER A 40 -9.461 -8.467 -3.542 1.00 0.00 N ATOM 630 CA SER A 40 -8.968 -9.875 -3.483 1.00 0.00 C ATOM 631 C SER A 40 -7.582 -9.981 -4.124 1.00 0.00 C ATOM 632 O SER A 40 -7.013 -11.051 -4.214 1.00 0.00 O ATOM 633 CB SER A 40 -9.942 -10.784 -4.235 1.00 0.00 C ATOM 634 OG SER A 40 -11.274 -10.455 -3.866 1.00 0.00 O ATOM 0 H SER A 40 -9.213 -7.953 -4.387 1.00 0.00 H new ATOM 0 HA SER A 40 -8.901 -10.182 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.811 -10.665 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.736 -11.829 -4.002 1.00 0.00 H new ATOM 0 HG SER A 40 -11.900 -11.035 -4.348 1.00 0.00 H new ATOM 640 N ILE A 41 -7.028 -8.888 -4.564 1.00 0.00 N ATOM 641 CA ILE A 41 -5.681 -8.939 -5.188 1.00 0.00 C ATOM 642 C ILE A 41 -4.719 -8.116 -4.337 1.00 0.00 C ATOM 643 O ILE A 41 -5.131 -7.284 -3.546 1.00 0.00 O ATOM 644 CB ILE A 41 -5.745 -8.355 -6.600 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.984 -8.896 -7.321 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.491 -8.757 -7.376 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.934 -10.424 -7.348 1.00 0.00 C ATOM 0 H ILE A 41 -7.451 -7.961 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.337 -9.972 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.803 -7.268 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.888 -8.560 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.025 -8.505 -8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.537 -8.341 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.608 -8.374 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.433 -9.844 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.816 -10.808 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.037 -10.749 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.913 -10.805 -6.327 1.00 0.00 H new ATOM 659 N VAL A 42 -3.442 -8.333 -4.480 1.00 0.00 N ATOM 660 CA VAL A 42 -2.484 -7.547 -3.663 1.00 0.00 C ATOM 661 C VAL A 42 -2.026 -6.324 -4.439 1.00 0.00 C ATOM 662 O VAL A 42 -1.512 -6.410 -5.536 1.00 0.00 O ATOM 663 CB VAL A 42 -1.249 -8.366 -3.285 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.104 -8.379 -1.765 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.372 -9.803 -3.803 1.00 0.00 C ATOM 0 H VAL A 42 -3.026 -9.011 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.004 -7.256 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.370 -7.910 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.225 -8.961 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.992 -7.358 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.992 -8.827 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.483 -10.368 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.253 -10.273 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.468 -9.791 -4.889 1.00 0.00 H new ATOM 675 N THR A 43 -2.189 -5.194 -3.842 1.00 0.00 N ATOM 676 CA THR A 43 -1.753 -3.927 -4.470 1.00 0.00 C ATOM 677 C THR A 43 -0.640 -3.360 -3.594 1.00 0.00 C ATOM 678 O THR A 43 -0.882 -2.626 -2.662 1.00 0.00 O ATOM 679 CB THR A 43 -2.940 -2.953 -4.531 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.953 -3.502 -5.361 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.490 -1.604 -5.099 1.00 0.00 C ATOM 0 H THR A 43 -2.616 -5.088 -2.922 1.00 0.00 H new ATOM 0 HA THR A 43 -1.395 -4.085 -5.487 1.00 0.00 H new ATOM 0 HB THR A 43 -3.328 -2.800 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.348 -2.792 -5.909 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.340 -0.923 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.715 -1.181 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.094 -1.746 -6.105 1.00 0.00 H new ATOM 689 N GLU A 44 0.582 -3.734 -3.852 1.00 0.00 N ATOM 690 CA GLU A 44 1.697 -3.235 -3.002 1.00 0.00 C ATOM 691 C GLU A 44 2.097 -1.833 -3.439 1.00 0.00 C ATOM 692 O GLU A 44 1.455 -1.216 -4.264 1.00 0.00 O ATOM 693 CB GLU A 44 2.904 -4.164 -3.129 1.00 0.00 C ATOM 694 CG GLU A 44 3.392 -4.175 -4.579 1.00 0.00 C ATOM 695 CD GLU A 44 3.054 -5.520 -5.223 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.972 -6.498 -4.496 1.00 0.00 O ATOM 697 OE2 GLU A 44 2.883 -5.552 -6.430 1.00 0.00 O ATOM 0 H GLU A 44 0.855 -4.360 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 44 1.363 -3.211 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.704 -3.830 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.634 -5.173 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.923 -3.365 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.468 -4.004 -4.613 1.00 0.00 H new ATOM 704 N GLY A 45 3.157 -1.322 -2.880 1.00 0.00 N ATOM 705 CA GLY A 45 3.596 0.054 -3.258 1.00 0.00 C ATOM 706 C GLY A 45 5.058 0.262 -2.871 1.00 0.00 C ATOM 707 O GLY A 45 5.407 0.248 -1.713 1.00 0.00 O ATOM 0 H GLY A 45 3.736 -1.791 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.471 0.202 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.971 0.794 -2.759 1.00 0.00 H new ATOM 711 N GLU A 46 5.916 0.465 -3.831 1.00 0.00 N ATOM 712 CA GLU A 46 7.351 0.670 -3.508 1.00 0.00 C ATOM 713 C GLU A 46 7.573 2.103 -3.018 1.00 0.00 C ATOM 714 O GLU A 46 8.026 2.961 -3.750 1.00 0.00 O ATOM 715 CB GLU A 46 8.182 0.408 -4.757 1.00 0.00 C ATOM 716 CG GLU A 46 7.532 1.089 -5.964 1.00 0.00 C ATOM 717 CD GLU A 46 7.017 0.026 -6.935 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.468 -1.104 -6.840 1.00 0.00 O ATOM 719 OE2 GLU A 46 6.179 0.359 -7.758 1.00 0.00 O ATOM 0 H GLU A 46 5.684 0.497 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 46 7.654 -0.018 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.195 0.785 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.263 -0.665 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.710 1.726 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.255 1.733 -6.464 1.00 0.00 H new ATOM 726 N GLY A 47 7.241 2.366 -1.781 1.00 0.00 N ATOM 727 CA GLY A 47 7.412 3.746 -1.229 1.00 0.00 C ATOM 728 C GLY A 47 8.890 4.049 -0.956 1.00 0.00 C ATOM 729 O GLY A 47 9.576 3.299 -0.295 1.00 0.00 O ATOM 0 H GLY A 47 6.858 1.684 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.012 4.475 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.840 3.846 -0.307 1.00 0.00 H new ATOM 798 N VAL A 52 8.154 6.468 4.371 1.00 0.00 N ATOM 799 CA VAL A 52 7.389 6.667 3.111 1.00 0.00 C ATOM 800 C VAL A 52 6.722 5.355 2.680 1.00 0.00 C ATOM 801 O VAL A 52 5.605 5.350 2.219 1.00 0.00 O ATOM 802 CB VAL A 52 8.367 7.168 2.023 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.488 6.169 0.859 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.866 8.509 1.483 1.00 0.00 C ATOM 0 HA VAL A 52 6.600 7.404 3.263 1.00 0.00 H new ATOM 0 HB VAL A 52 9.352 7.276 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.184 6.558 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.856 5.214 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.510 6.026 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.550 8.870 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.873 8.380 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.818 9.234 2.296 1.00 0.00 H new ATOM 814 N SER A 53 7.419 4.259 2.800 1.00 0.00 N ATOM 815 CA SER A 53 6.862 2.939 2.371 1.00 0.00 C ATOM 816 C SER A 53 5.347 2.862 2.595 1.00 0.00 C ATOM 817 O SER A 53 4.578 2.915 1.663 1.00 0.00 O ATOM 818 CB SER A 53 7.550 1.823 3.159 1.00 0.00 C ATOM 819 OG SER A 53 8.946 2.083 3.215 1.00 0.00 O ATOM 0 H SER A 53 8.364 4.219 3.182 1.00 0.00 H new ATOM 0 HA SER A 53 7.049 2.823 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.138 1.766 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.366 0.859 2.684 1.00 0.00 H new ATOM 0 HG SER A 53 9.404 1.321 3.626 1.00 0.00 H new ATOM 825 N LYS A 54 4.918 2.711 3.813 1.00 0.00 N ATOM 826 CA LYS A 54 3.451 2.597 4.087 1.00 0.00 C ATOM 827 C LYS A 54 2.655 3.620 3.267 1.00 0.00 C ATOM 828 O LYS A 54 1.700 3.279 2.596 1.00 0.00 O ATOM 829 CB LYS A 54 3.190 2.826 5.578 1.00 0.00 C ATOM 830 CG LYS A 54 3.794 4.164 6.009 1.00 0.00 C ATOM 831 CD LYS A 54 3.842 4.231 7.537 1.00 0.00 C ATOM 832 CE LYS A 54 4.691 5.426 7.972 1.00 0.00 C ATOM 833 NZ LYS A 54 4.421 5.730 9.406 1.00 0.00 N ATOM 0 H LYS A 54 5.517 2.661 4.637 1.00 0.00 H new ATOM 0 HA LYS A 54 3.125 1.597 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.118 2.820 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.625 2.015 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.798 4.272 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.198 4.988 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.833 4.324 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.262 3.309 7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.749 5.206 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.460 6.294 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.998 6.543 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.414 5.957 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.663 4.903 9.988 1.00 0.00 H new ATOM 847 N LYS A 55 3.022 4.869 3.324 1.00 0.00 N ATOM 848 CA LYS A 55 2.268 5.907 2.562 1.00 0.00 C ATOM 849 C LYS A 55 2.184 5.528 1.080 1.00 0.00 C ATOM 850 O LYS A 55 1.175 5.734 0.431 1.00 0.00 O ATOM 851 CB LYS A 55 2.982 7.252 2.696 1.00 0.00 C ATOM 852 CG LYS A 55 2.222 8.316 1.904 1.00 0.00 C ATOM 853 CD LYS A 55 3.198 9.391 1.419 1.00 0.00 C ATOM 854 CE LYS A 55 3.020 10.657 2.259 1.00 0.00 C ATOM 855 NZ LYS A 55 4.350 11.123 2.744 1.00 0.00 N ATOM 0 H LYS A 55 3.813 5.218 3.866 1.00 0.00 H new ATOM 0 HA LYS A 55 1.259 5.976 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.043 7.540 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.005 7.171 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.717 7.859 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.450 8.766 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.223 9.030 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.019 9.612 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.544 11.437 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.363 10.456 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.229 11.984 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.787 10.380 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.963 11.331 1.930 1.00 0.00 H new ATOM 869 N ARG A 56 3.239 4.993 0.538 1.00 0.00 N ATOM 870 CA ARG A 56 3.235 4.619 -0.900 1.00 0.00 C ATOM 871 C ARG A 56 2.368 3.382 -1.123 1.00 0.00 C ATOM 872 O ARG A 56 1.700 3.265 -2.129 1.00 0.00 O ATOM 873 CB ARG A 56 4.668 4.333 -1.346 1.00 0.00 C ATOM 874 CG ARG A 56 4.893 4.920 -2.742 1.00 0.00 C ATOM 875 CD ARG A 56 5.300 6.390 -2.617 1.00 0.00 C ATOM 876 NE ARG A 56 5.584 6.950 -3.971 1.00 0.00 N ATOM 877 CZ ARG A 56 6.159 6.210 -4.879 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.497 5.238 -5.445 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.396 6.443 -5.223 1.00 0.00 N ATOM 0 H ARG A 56 4.109 4.798 1.033 1.00 0.00 H new ATOM 0 HA ARG A 56 2.824 5.442 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.374 4.768 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.849 3.258 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.669 4.360 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.983 4.833 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.503 6.958 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.182 6.481 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 56 5.328 7.913 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.530 5.056 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.947 4.660 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.913 7.204 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.846 5.865 -5.933 1.00 0.00 H new ATOM 893 N ALA A 57 2.360 2.456 -0.200 1.00 0.00 N ATOM 894 CA ALA A 57 1.522 1.242 -0.387 1.00 0.00 C ATOM 895 C ALA A 57 0.052 1.670 -0.423 1.00 0.00 C ATOM 896 O ALA A 57 -0.691 1.347 -1.336 1.00 0.00 O ATOM 897 CB ALA A 57 1.742 0.263 0.777 1.00 0.00 C ATOM 0 H ALA A 57 2.894 2.490 0.668 1.00 0.00 H new ATOM 0 HA ALA A 57 1.796 0.745 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.123 -0.622 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.791 -0.029 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.467 0.745 1.715 1.00 0.00 H new ATOM 903 N ALA A 58 -0.372 2.398 0.575 1.00 0.00 N ATOM 904 CA ALA A 58 -1.786 2.852 0.620 1.00 0.00 C ATOM 905 C ALA A 58 -2.068 3.752 -0.580 1.00 0.00 C ATOM 906 O ALA A 58 -2.863 3.419 -1.434 1.00 0.00 O ATOM 907 CB ALA A 58 -2.045 3.617 1.923 1.00 0.00 C ATOM 0 H ALA A 58 0.204 2.697 1.362 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.447 1.986 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.083 3.948 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.849 2.964 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.387 4.484 1.973 1.00 0.00 H new ATOM 913 N GLU A 59 -1.426 4.885 -0.671 1.00 0.00 N ATOM 914 CA GLU A 59 -1.686 5.764 -1.841 1.00 0.00 C ATOM 915 C GLU A 59 -1.548 4.933 -3.110 1.00 0.00 C ATOM 916 O GLU A 59 -2.125 5.241 -4.129 1.00 0.00 O ATOM 917 CB GLU A 59 -0.679 6.913 -1.888 1.00 0.00 C ATOM 918 CG GLU A 59 -1.115 8.019 -0.925 1.00 0.00 C ATOM 919 CD GLU A 59 -0.118 9.177 -0.991 1.00 0.00 C ATOM 920 OE1 GLU A 59 -0.123 9.882 -1.986 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.634 9.340 -0.044 1.00 0.00 O ATOM 0 H GLU A 59 -0.744 5.234 0.003 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.689 6.182 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.313 6.552 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.609 7.307 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.113 8.370 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.169 7.630 0.092 1.00 0.00 H new ATOM 928 N LYS A 60 -0.783 3.876 -3.054 1.00 0.00 N ATOM 929 CA LYS A 60 -0.610 3.030 -4.264 1.00 0.00 C ATOM 930 C LYS A 60 -1.937 2.369 -4.620 1.00 0.00 C ATOM 931 O LYS A 60 -2.398 2.464 -5.741 1.00 0.00 O ATOM 932 CB LYS A 60 0.444 1.950 -4.011 1.00 0.00 C ATOM 933 CG LYS A 60 1.784 2.406 -4.592 1.00 0.00 C ATOM 934 CD LYS A 60 2.017 1.717 -5.938 1.00 0.00 C ATOM 935 CE LYS A 60 1.427 2.573 -7.059 1.00 0.00 C ATOM 936 NZ LYS A 60 2.013 2.156 -8.364 1.00 0.00 N ATOM 0 H LYS A 60 -0.274 3.565 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.280 3.661 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.542 1.765 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.136 1.010 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.788 3.488 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.593 2.164 -3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.084 1.569 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.554 0.730 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.343 2.462 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.636 3.627 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.612 2.738 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.045 2.283 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.792 1.155 -8.540 1.00 0.00 H new ATOM 950 N MET A 61 -2.566 1.689 -3.694 1.00 0.00 N ATOM 951 CA MET A 61 -3.855 1.039 -4.062 1.00 0.00 C ATOM 952 C MET A 61 -4.961 2.085 -4.197 1.00 0.00 C ATOM 953 O MET A 61 -5.650 2.134 -5.194 1.00 0.00 O ATOM 954 CB MET A 61 -4.267 -0.016 -3.044 1.00 0.00 C ATOM 955 CG MET A 61 -4.052 0.460 -1.610 1.00 0.00 C ATOM 956 SD MET A 61 -4.791 -0.757 -0.491 1.00 0.00 S ATOM 957 CE MET A 61 -4.304 -2.239 -1.422 1.00 0.00 C ATOM 0 H MET A 61 -2.255 1.559 -2.731 1.00 0.00 H new ATOM 0 HA MET A 61 -3.705 0.543 -5.021 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.317 -0.269 -3.189 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.693 -0.927 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.988 0.570 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.509 1.439 -1.462 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.616 -3.130 -0.877 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.782 -2.227 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.221 -2.251 -1.547 1.00 0.00 H new ATOM 967 N LEU A 62 -5.141 2.927 -3.216 1.00 0.00 N ATOM 968 CA LEU A 62 -6.207 3.957 -3.331 1.00 0.00 C ATOM 969 C LEU A 62 -6.054 4.623 -4.694 1.00 0.00 C ATOM 970 O LEU A 62 -6.958 4.628 -5.509 1.00 0.00 O ATOM 971 CB LEU A 62 -6.051 5.002 -2.217 1.00 0.00 C ATOM 972 CG LEU A 62 -6.346 4.398 -0.824 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.327 5.310 -0.083 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.967 2.995 -0.930 1.00 0.00 C ATOM 0 H LEU A 62 -4.602 2.946 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.192 3.502 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.038 5.403 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.727 5.837 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.401 4.316 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.541 4.892 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.887 6.301 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.253 5.388 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.159 2.606 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.904 3.053 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.278 2.331 -1.452 1.00 0.00 H new ATOM 986 N VAL A 63 -4.894 5.150 -4.960 1.00 0.00 N ATOM 987 CA VAL A 63 -4.655 5.780 -6.280 1.00 0.00 C ATOM 988 C VAL A 63 -4.995 4.752 -7.359 1.00 0.00 C ATOM 989 O VAL A 63 -5.551 5.073 -8.389 1.00 0.00 O ATOM 990 CB VAL A 63 -3.184 6.181 -6.385 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.871 6.628 -7.806 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.897 7.333 -5.417 1.00 0.00 C ATOM 0 H VAL A 63 -4.102 5.170 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.272 6.670 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.561 5.324 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.821 6.913 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.071 5.809 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.496 7.482 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.848 7.619 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.525 8.187 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.114 7.014 -4.398 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.674 3.508 -7.113 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.985 2.437 -8.101 1.00 0.00 C ATOM 1004 C GLU A 64 -6.477 2.484 -8.449 1.00 0.00 C ATOM 1005 O GLU A 64 -6.857 2.886 -9.530 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.648 1.078 -7.497 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.593 0.381 -8.359 1.00 0.00 C ATOM 1008 CD GLU A 64 -4.284 -0.490 -9.408 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.839 0.068 -10.341 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.247 -1.701 -9.262 1.00 0.00 O ATOM 0 H GLU A 64 -4.207 3.188 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.395 2.591 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.277 1.203 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.546 0.463 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.959 1.122 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.944 -0.231 -7.733 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.326 2.065 -7.544 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.790 2.082 -7.839 1.00 0.00 C ATOM 1019 C LEU A 65 -9.174 3.412 -8.493 1.00 0.00 C ATOM 1020 O LEU A 65 -10.014 3.459 -9.370 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.627 1.896 -6.561 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.808 2.221 -5.311 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.676 3.011 -4.329 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.364 0.914 -4.657 1.00 0.00 C ATOM 0 H LEU A 65 -7.071 1.715 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.999 1.253 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.505 2.541 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.988 0.869 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.935 2.814 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.095 3.244 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.007 3.937 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.545 2.415 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.779 1.134 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.241 0.329 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.755 0.345 -5.359 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.580 4.498 -8.071 1.00 0.00 N ATOM 1037 CA GLN A 66 -8.938 5.816 -8.675 1.00 0.00 C ATOM 1038 C GLN A 66 -8.687 5.786 -10.186 1.00 0.00 C ATOM 1039 O GLN A 66 -9.508 6.222 -10.968 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.098 6.931 -8.038 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.423 7.078 -6.539 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.820 6.603 -6.225 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.785 7.018 -6.836 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.956 5.739 -5.278 1.00 0.00 N ATOM 0 H GLN A 66 -7.869 4.530 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.994 6.011 -8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.038 6.710 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.290 7.874 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.703 6.507 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.318 8.122 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.136 5.401 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.884 5.394 -5.032 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.558 5.281 -10.606 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.263 5.233 -12.065 1.00 0.00 C ATOM 1055 C LYS A 67 -8.260 4.308 -12.762 1.00 0.00 C ATOM 1056 O LYS A 67 -8.678 4.554 -13.876 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.842 4.709 -12.282 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.847 5.860 -12.131 1.00 0.00 C ATOM 1059 CD LYS A 67 -3.687 5.421 -11.237 1.00 0.00 C ATOM 1060 CE LYS A 67 -2.415 5.291 -12.077 1.00 0.00 C ATOM 1061 NZ LYS A 67 -1.387 6.246 -11.573 1.00 0.00 N ATOM 0 H LYS A 67 -6.829 4.901 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.349 6.236 -12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.618 3.923 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.754 4.265 -13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.472 6.161 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.343 6.729 -11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.535 6.147 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.921 4.468 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.035 4.271 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.635 5.497 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.522 6.158 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.751 7.218 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.170 6.029 -10.579 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.644 3.243 -12.116 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.611 2.302 -12.738 1.00 0.00 C ATOM 1077 C LEU A 68 -10.938 3.022 -12.989 1.00 0.00 C ATOM 1078 O LEU A 68 -11.877 2.765 -12.254 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.839 1.121 -11.795 1.00 0.00 C ATOM 1080 CG LEU A 68 -8.497 0.637 -11.241 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -8.685 -0.720 -10.562 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.493 0.496 -12.389 1.00 0.00 C ATOM 1083 OXT LEU A 68 -10.991 3.818 -13.911 1.00 0.00 O ATOM 0 H LEU A 68 -8.328 2.985 -11.181 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.213 1.942 -13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.495 1.418 -10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.338 0.310 -12.326 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.122 1.359 -10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.729 -1.065 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.401 -0.622 -9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.059 -1.442 -11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.537 0.151 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.869 -0.226 -13.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.358 1.462 -12.875 1.00 0.00 H new