USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 598 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 1 MET CE :methyl 161:sc= -0.16 (180deg=-0.819) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -1.32 (180deg=-2.65!) USER MOD Single : A 3 MET CE :methyl 130:sc= -0.842 (180deg=-1.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-1.6) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -11! C(o=-13!,f=-11!) USER MOD Single : A 26 SER OG : rot -51:sc= 0.481 USER MOD Single : A 31 MET CE :methyl -171:sc= -3.41 (180deg=-3.95) USER MOD Single : A 36 ASN :FLIP amide:sc= -6.7! C(o=-13!,f=-6.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 42 CYS SG : rot 160:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -150:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= -2.52! (180deg=-6.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 59 THR OG1 : rot -23:sc= 0.912 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.0207 (180deg=-0.202) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 77 ASN :FLIP amide:sc= -2.2! C(o=-4!,f=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ 134:sc= 0.25 (180deg=-0.547) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -19.741 13.951 1.658 1.00 0.00 N ATOM 2 CA GLY A -3 -19.169 12.681 2.184 1.00 0.00 C ATOM 3 C GLY A -3 -19.751 11.458 1.504 1.00 0.00 C ATOM 4 O GLY A -3 -20.107 10.483 2.165 1.00 0.00 O ATOM 0 H1 GLY A -3 -19.311 14.757 2.155 1.00 0.00 H new ATOM 0 H2 GLY A -3 -19.542 14.026 0.640 1.00 0.00 H new ATOM 0 H3 GLY A -3 -20.770 13.958 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -18.088 12.689 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -19.354 12.619 3.256 1.00 0.00 H new ATOM 10 N SER A -2 -19.850 11.510 0.180 1.00 0.00 N ATOM 11 CA SER A -2 -20.393 10.397 -0.591 1.00 0.00 C ATOM 12 C SER A -2 -20.353 10.700 -2.086 1.00 0.00 C ATOM 13 O SER A -2 -20.687 11.804 -2.515 1.00 0.00 O ATOM 14 CB SER A -2 -21.831 10.102 -0.159 1.00 0.00 C ATOM 15 OG SER A -2 -22.375 9.022 -0.897 1.00 0.00 O ATOM 0 H SER A -2 -19.561 12.311 -0.382 1.00 0.00 H new ATOM 0 HA SER A -2 -19.775 9.520 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A -2 -21.853 9.867 0.905 1.00 0.00 H new ATOM 0 HB3 SER A -2 -22.446 10.990 -0.302 1.00 0.00 H new ATOM 0 HG SER A -2 -23.294 8.853 -0.600 1.00 0.00 H new ATOM 21 N HIS A -1 -19.939 9.712 -2.873 1.00 0.00 N ATOM 22 CA HIS A -1 -19.854 9.872 -4.320 1.00 0.00 C ATOM 23 C HIS A -1 -19.428 8.567 -4.986 1.00 0.00 C ATOM 24 O HIS A -1 -18.562 8.557 -5.861 1.00 0.00 O ATOM 25 CB HIS A -1 -18.868 10.987 -4.674 1.00 0.00 C ATOM 26 CG HIS A -1 -17.474 10.727 -4.195 1.00 0.00 C ATOM 27 ND1 HIS A -1 -17.155 10.553 -2.864 1.00 0.00 N ATOM 28 CD2 HIS A -1 -16.309 10.611 -4.877 1.00 0.00 C ATOM 29 CE1 HIS A -1 -15.855 10.343 -2.748 1.00 0.00 C ATOM 30 NE2 HIS A -1 -15.320 10.372 -3.954 1.00 0.00 N ATOM 0 H HIS A -1 -19.657 8.793 -2.533 1.00 0.00 H new ATOM 0 HA HIS A -1 -20.843 10.142 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -18.853 11.118 -5.756 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -19.222 11.924 -4.244 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -16.182 10.691 -5.946 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -15.322 10.176 -1.824 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -14.331 10.238 -4.167 1.00 0.00 H new ATOM 39 N MET A 1 -20.045 7.467 -4.566 1.00 0.00 N ATOM 40 CA MET A 1 -19.734 6.153 -5.118 1.00 0.00 C ATOM 41 C MET A 1 -18.288 5.764 -4.826 1.00 0.00 C ATOM 42 O MET A 1 -17.372 6.569 -4.993 1.00 0.00 O ATOM 43 CB MET A 1 -19.984 6.138 -6.629 1.00 0.00 C ATOM 44 CG MET A 1 -21.421 6.455 -7.011 1.00 0.00 C ATOM 45 SD MET A 1 -21.686 6.432 -8.795 1.00 0.00 S ATOM 46 CE MET A 1 -21.237 4.741 -9.181 1.00 0.00 C ATOM 0 H MET A 1 -20.765 7.460 -3.843 1.00 0.00 H new ATOM 0 HA MET A 1 -20.389 5.424 -4.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.322 6.861 -7.106 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.720 5.156 -7.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.086 5.732 -6.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.689 7.437 -6.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.655 4.466 -10.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.151 4.652 -9.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.631 4.075 -8.413 1.00 0.00 H new ATOM 56 N LYS A 2 -18.091 4.524 -4.394 1.00 0.00 N ATOM 57 CA LYS A 2 -16.760 4.023 -4.083 1.00 0.00 C ATOM 58 C LYS A 2 -15.961 3.814 -5.361 1.00 0.00 C ATOM 59 O LYS A 2 -16.480 3.295 -6.349 1.00 0.00 O ATOM 60 CB LYS A 2 -16.852 2.713 -3.299 1.00 0.00 C ATOM 61 CG LYS A 2 -15.499 2.153 -2.890 1.00 0.00 C ATOM 62 CD LYS A 2 -14.732 3.135 -2.019 1.00 0.00 C ATOM 63 CE LYS A 2 -13.396 2.561 -1.578 1.00 0.00 C ATOM 64 NZ LYS A 2 -13.564 1.321 -0.771 1.00 0.00 N ATOM 0 H LYS A 2 -18.840 3.846 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.248 4.763 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.454 2.876 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.374 1.973 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.639 1.217 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.915 1.922 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.567 4.061 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.328 3.388 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.787 2.343 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.857 3.305 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.746 1.204 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.432 1.392 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.632 0.500 -1.406 1.00 0.00 H new ATOM 78 N MET A 3 -14.700 4.224 -5.343 1.00 0.00 N ATOM 79 CA MET A 3 -13.845 4.077 -6.512 1.00 0.00 C ATOM 80 C MET A 3 -13.534 2.609 -6.785 1.00 0.00 C ATOM 81 O MET A 3 -13.133 1.869 -5.887 1.00 0.00 O ATOM 82 CB MET A 3 -12.545 4.870 -6.340 1.00 0.00 C ATOM 83 CG MET A 3 -12.715 6.377 -6.468 1.00 0.00 C ATOM 84 SD MET A 3 -13.780 7.082 -5.195 1.00 0.00 S ATOM 85 CE MET A 3 -12.878 6.632 -3.714 1.00 0.00 C ATOM 0 H MET A 3 -14.249 4.658 -4.538 1.00 0.00 H new ATOM 0 HA MET A 3 -14.386 4.478 -7.369 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.121 4.645 -5.361 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.824 4.532 -7.085 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.735 6.852 -6.417 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.131 6.607 -7.449 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.755 7.511 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.432 5.868 -3.169 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.898 6.242 -3.989 1.00 0.00 H new ATOM 95 N GLY A 4 -13.725 2.199 -8.034 1.00 0.00 N ATOM 96 CA GLY A 4 -13.464 0.824 -8.418 1.00 0.00 C ATOM 97 C GLY A 4 -11.987 0.479 -8.399 1.00 0.00 C ATOM 98 O GLY A 4 -11.617 -0.679 -8.212 1.00 0.00 O ATOM 0 H GLY A 4 -14.057 2.797 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.997 0.155 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.860 0.649 -9.418 1.00 0.00 H new ATOM 102 N VAL A 5 -11.142 1.485 -8.607 1.00 0.00 N ATOM 103 CA VAL A 5 -9.697 1.280 -8.627 1.00 0.00 C ATOM 104 C VAL A 5 -9.178 0.745 -7.302 1.00 0.00 C ATOM 105 O VAL A 5 -8.013 0.420 -7.201 1.00 0.00 O ATOM 106 CB VAL A 5 -8.926 2.576 -8.945 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.724 3.389 -7.680 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.583 2.307 -9.604 1.00 0.00 C ATOM 0 H VAL A 5 -11.433 2.450 -8.764 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.525 0.548 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.531 3.140 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.178 4.302 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.694 3.646 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.155 2.803 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.081 3.253 -9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.965 1.704 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.738 1.771 -10.540 1.00 0.00 H new ATOM 118 N LYS A 6 -10.011 0.664 -6.271 1.00 0.00 N ATOM 119 CA LYS A 6 -9.523 0.176 -4.986 1.00 0.00 C ATOM 120 C LYS A 6 -8.674 -1.065 -5.230 1.00 0.00 C ATOM 121 O LYS A 6 -7.576 -1.206 -4.689 1.00 0.00 O ATOM 122 CB LYS A 6 -10.701 -0.140 -4.057 1.00 0.00 C ATOM 123 CG LYS A 6 -10.314 -0.876 -2.785 1.00 0.00 C ATOM 124 CD LYS A 6 -11.511 -1.038 -1.861 1.00 0.00 C ATOM 125 CE LYS A 6 -11.174 -1.891 -0.651 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.318 -1.988 0.296 1.00 0.00 N ATOM 0 H LYS A 6 -10.998 0.921 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.915 0.940 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.196 0.793 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.429 -0.740 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.910 -1.856 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.525 -0.328 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.852 -0.057 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.335 -1.494 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.889 -2.890 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.312 -1.467 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.047 -2.579 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.574 -1.037 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.133 -2.416 -0.187 1.00 0.00 H new ATOM 140 N GLU A 7 -9.171 -1.925 -6.102 1.00 0.00 N ATOM 141 CA GLU A 7 -8.453 -3.123 -6.489 1.00 0.00 C ATOM 142 C GLU A 7 -7.343 -2.793 -7.491 1.00 0.00 C ATOM 143 O GLU A 7 -6.275 -3.401 -7.465 1.00 0.00 O ATOM 144 CB GLU A 7 -9.426 -4.145 -7.080 1.00 0.00 C ATOM 145 CG GLU A 7 -10.061 -3.715 -8.396 1.00 0.00 C ATOM 146 CD GLU A 7 -9.139 -3.895 -9.589 1.00 0.00 C ATOM 147 OE1 GLU A 7 -8.044 -4.469 -9.407 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.501 -3.451 -10.698 1.00 0.00 O ATOM 0 H GLU A 7 -10.077 -1.813 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.987 -3.552 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.897 -5.086 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.216 -4.339 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.972 -4.291 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.354 -2.668 -8.326 1.00 0.00 H new ATOM 155 N ASP A 8 -7.615 -1.842 -8.394 1.00 0.00 N ATOM 156 CA ASP A 8 -6.645 -1.454 -9.422 1.00 0.00 C ATOM 157 C ASP A 8 -5.362 -0.866 -8.825 1.00 0.00 C ATOM 158 O ASP A 8 -4.261 -1.329 -9.129 1.00 0.00 O ATOM 159 CB ASP A 8 -7.284 -0.487 -10.410 1.00 0.00 C ATOM 160 CG ASP A 8 -8.092 -1.201 -11.475 1.00 0.00 C ATOM 161 OD1 ASP A 8 -7.508 -2.018 -12.217 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.311 -0.943 -11.568 1.00 0.00 O ATOM 0 H ASP A 8 -8.496 -1.330 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.352 -2.360 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.930 0.205 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.506 0.109 -10.887 1.00 0.00 H new ATOM 167 N ILE A 9 -5.507 0.122 -7.949 1.00 0.00 N ATOM 168 CA ILE A 9 -4.371 0.733 -7.283 1.00 0.00 C ATOM 169 C ILE A 9 -3.690 -0.308 -6.410 1.00 0.00 C ATOM 170 O ILE A 9 -2.469 -0.458 -6.443 1.00 0.00 O ATOM 171 CB ILE A 9 -4.800 1.956 -6.433 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.080 3.155 -7.339 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.738 2.308 -5.396 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.536 4.388 -6.588 1.00 0.00 C ATOM 0 H ILE A 9 -6.409 0.517 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.674 1.094 -8.040 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.714 1.695 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.177 3.395 -7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.844 2.880 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.068 3.170 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.584 1.459 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.802 2.547 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.716 5.198 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.457 4.166 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.764 4.689 -5.880 1.00 0.00 H new ATOM 186 N ARG A 10 -4.495 -1.057 -5.656 1.00 0.00 N ATOM 187 CA ARG A 10 -3.960 -2.115 -4.812 1.00 0.00 C ATOM 188 C ARG A 10 -3.160 -3.075 -5.676 1.00 0.00 C ATOM 189 O ARG A 10 -2.186 -3.676 -5.225 1.00 0.00 O ATOM 190 CB ARG A 10 -5.088 -2.877 -4.105 1.00 0.00 C ATOM 191 CG ARG A 10 -4.600 -3.724 -2.941 1.00 0.00 C ATOM 192 CD ARG A 10 -5.714 -4.568 -2.345 1.00 0.00 C ATOM 193 NE ARG A 10 -6.778 -3.751 -1.770 1.00 0.00 N ATOM 194 CZ ARG A 10 -7.802 -4.249 -1.082 1.00 0.00 C ATOM 195 NH1 ARG A 10 -7.910 -5.559 -0.896 1.00 0.00 N ATOM 196 NH2 ARG A 10 -8.721 -3.438 -0.581 1.00 0.00 N ATOM 0 H ARG A 10 -5.508 -0.950 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.321 -1.670 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.828 -2.164 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.592 -3.519 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.793 -4.375 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.184 -3.075 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.131 -5.214 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.301 -5.219 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.734 -2.741 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.206 -6.189 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.697 -5.936 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.644 -2.431 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.506 -3.820 -0.054 1.00 0.00 H new ATOM 210 N GLY A 11 -3.570 -3.188 -6.938 1.00 0.00 N ATOM 211 CA GLY A 11 -2.864 -4.048 -7.864 1.00 0.00 C ATOM 212 C GLY A 11 -1.468 -3.527 -8.079 1.00 0.00 C ATOM 213 O GLY A 11 -0.498 -4.284 -8.107 1.00 0.00 O ATOM 0 H GLY A 11 -4.375 -2.700 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.827 -5.065 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.397 -4.090 -8.814 1.00 0.00 H new ATOM 217 N GLN A 12 -1.379 -2.209 -8.194 1.00 0.00 N ATOM 218 CA GLN A 12 -0.108 -1.535 -8.367 1.00 0.00 C ATOM 219 C GLN A 12 0.711 -1.643 -7.086 1.00 0.00 C ATOM 220 O GLN A 12 1.938 -1.666 -7.121 1.00 0.00 O ATOM 221 CB GLN A 12 -0.334 -0.064 -8.716 1.00 0.00 C ATOM 222 CG GLN A 12 -1.169 0.150 -9.967 1.00 0.00 C ATOM 223 CD GLN A 12 -1.337 1.617 -10.312 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.360 2.325 -10.549 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.581 2.080 -10.339 1.00 0.00 N ATOM 0 H GLN A 12 -2.184 -1.583 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 12 0.436 -2.011 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.824 0.428 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.633 0.421 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.700 -0.365 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.151 -0.301 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.362 1.456 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.756 3.060 -10.563 1.00 0.00 H new ATOM 234 N ILE A 13 0.009 -1.711 -5.951 1.00 0.00 N ATOM 235 CA ILE A 13 0.655 -1.818 -4.649 1.00 0.00 C ATOM 236 C ILE A 13 1.280 -3.195 -4.466 1.00 0.00 C ATOM 237 O ILE A 13 2.421 -3.313 -4.027 1.00 0.00 O ATOM 238 CB ILE A 13 -0.342 -1.550 -3.501 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.922 -0.138 -3.620 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.334 -1.734 -2.148 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.944 0.187 -2.552 1.00 0.00 C ATOM 0 H ILE A 13 -1.010 -1.693 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 13 1.438 -1.060 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.157 -2.270 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.109 0.586 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.384 -0.025 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.386 -1.541 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.704 -2.756 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.168 -1.038 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.312 1.202 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.776 -0.514 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.481 0.107 -1.569 1.00 0.00 H new ATOM 253 N ILE A 14 0.530 -4.236 -4.816 1.00 0.00 N ATOM 254 CA ILE A 14 1.027 -5.600 -4.699 1.00 0.00 C ATOM 255 C ILE A 14 2.302 -5.772 -5.519 1.00 0.00 C ATOM 256 O ILE A 14 3.330 -6.207 -5.000 1.00 0.00 O ATOM 257 CB ILE A 14 -0.042 -6.624 -5.145 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.094 -6.800 -4.047 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.589 -7.967 -5.495 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.518 -7.283 -2.735 1.00 0.00 C ATOM 0 H ILE A 14 -0.419 -4.160 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 14 1.255 -5.787 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.525 -6.238 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.601 -5.849 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.848 -7.509 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.189 -8.665 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.301 -7.833 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.106 -8.365 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.318 -7.386 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.035 -8.249 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.215 -6.563 -2.373 1.00 0.00 H new ATOM 272 N GLY A 15 2.239 -5.398 -6.793 1.00 0.00 N ATOM 273 CA GLY A 15 3.410 -5.490 -7.642 1.00 0.00 C ATOM 274 C GLY A 15 4.500 -4.560 -7.157 1.00 0.00 C ATOM 275 O GLY A 15 5.685 -4.892 -7.192 1.00 0.00 O ATOM 0 H GLY A 15 1.402 -5.035 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.778 -6.516 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.141 -5.239 -8.668 1.00 0.00 H new ATOM 279 N ALA A 16 4.078 -3.392 -6.686 1.00 0.00 N ATOM 280 CA ALA A 16 4.990 -2.385 -6.163 1.00 0.00 C ATOM 281 C ALA A 16 5.767 -2.927 -4.968 1.00 0.00 C ATOM 282 O ALA A 16 6.909 -2.543 -4.726 1.00 0.00 O ATOM 283 CB ALA A 16 4.206 -1.140 -5.763 1.00 0.00 C ATOM 0 H ALA A 16 3.096 -3.118 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 16 5.706 -2.123 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.892 -0.388 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.688 -0.740 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.477 -1.400 -4.996 1.00 0.00 H new ATOM 289 N LEU A 17 5.128 -3.826 -4.228 1.00 0.00 N ATOM 290 CA LEU A 17 5.727 -4.439 -3.054 1.00 0.00 C ATOM 291 C LEU A 17 6.654 -5.573 -3.458 1.00 0.00 C ATOM 292 O LEU A 17 7.630 -5.873 -2.771 1.00 0.00 O ATOM 293 CB LEU A 17 4.625 -4.956 -2.127 1.00 0.00 C ATOM 294 CG LEU A 17 3.826 -3.867 -1.400 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.551 -4.439 -0.799 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.679 -3.218 -0.319 1.00 0.00 C ATOM 0 H LEU A 17 4.181 -4.148 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 17 6.317 -3.690 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.934 -5.563 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.075 -5.613 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 17 3.546 -3.106 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.002 -3.647 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.931 -4.858 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.805 -5.222 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.099 -2.447 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.988 -3.974 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.562 -2.768 -0.773 1.00 0.00 H new ATOM 308 N ALA A 18 6.336 -6.200 -4.582 1.00 0.00 N ATOM 309 CA ALA A 18 7.135 -7.310 -5.094 1.00 0.00 C ATOM 310 C ALA A 18 8.594 -6.900 -5.277 1.00 0.00 C ATOM 311 O ALA A 18 8.884 -5.803 -5.756 1.00 0.00 O ATOM 312 CB ALA A 18 6.557 -7.812 -6.409 1.00 0.00 C ATOM 0 H ALA A 18 5.530 -5.960 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 18 7.102 -8.117 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.162 -8.639 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.534 -8.153 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.561 -7.004 -7.140 1.00 0.00 H new ATOM 318 N GLY A 19 9.510 -7.787 -4.894 1.00 0.00 N ATOM 319 CA GLY A 19 10.927 -7.492 -5.026 1.00 0.00 C ATOM 320 C GLY A 19 11.598 -7.221 -3.692 1.00 0.00 C ATOM 321 O GLY A 19 12.773 -7.538 -3.505 1.00 0.00 O ATOM 0 H GLY A 19 9.297 -8.702 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.424 -8.330 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.054 -6.625 -5.674 1.00 0.00 H new ATOM 325 N ALA A 20 10.853 -6.627 -2.766 1.00 0.00 N ATOM 326 CA ALA A 20 11.377 -6.302 -1.440 1.00 0.00 C ATOM 327 C ALA A 20 12.033 -7.509 -0.785 1.00 0.00 C ATOM 328 O ALA A 20 12.095 -8.590 -1.369 1.00 0.00 O ATOM 329 CB ALA A 20 10.256 -5.784 -0.553 1.00 0.00 C ATOM 0 H ALA A 20 9.879 -6.359 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 20 12.137 -5.530 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.654 -5.544 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.824 -4.888 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.485 -6.549 -0.457 1.00 0.00 H new ATOM 335 N ASP A 21 12.495 -7.313 0.446 1.00 0.00 N ATOM 336 CA ASP A 21 13.118 -8.381 1.218 1.00 0.00 C ATOM 337 C ASP A 21 12.108 -9.513 1.393 1.00 0.00 C ATOM 338 O ASP A 21 11.582 -10.014 0.399 1.00 0.00 O ATOM 339 CB ASP A 21 13.587 -7.814 2.556 1.00 0.00 C ATOM 340 CG ASP A 21 14.892 -7.058 2.420 1.00 0.00 C ATOM 341 OD1 ASP A 21 14.990 -6.196 1.522 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.817 -7.329 3.213 1.00 0.00 O ATOM 0 H ASP A 21 12.449 -6.418 0.932 1.00 0.00 H new ATOM 0 HA ASP A 21 13.990 -8.786 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.822 -7.149 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.711 -8.627 3.272 1.00 0.00 H new ATOM 347 N PHE A 22 11.776 -9.902 2.628 1.00 0.00 N ATOM 348 CA PHE A 22 10.767 -10.935 2.802 1.00 0.00 C ATOM 349 C PHE A 22 9.493 -10.401 2.157 1.00 0.00 C ATOM 350 O PHE A 22 9.537 -9.348 1.521 1.00 0.00 O ATOM 351 CB PHE A 22 10.577 -11.303 4.300 1.00 0.00 C ATOM 352 CG PHE A 22 9.770 -10.325 5.137 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.643 -9.711 4.610 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.130 -10.015 6.439 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.903 -8.822 5.371 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.403 -9.132 7.197 1.00 0.00 C ATOM 357 CZ PHE A 22 8.299 -8.533 6.676 1.00 0.00 C ATOM 0 H PHE A 22 12.177 -9.530 3.489 1.00 0.00 H new ATOM 0 HA PHE A 22 11.066 -11.868 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.094 -12.279 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.562 -11.409 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.340 -9.929 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.005 -10.480 6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.023 -8.354 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.708 -8.912 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.730 -7.835 7.272 1.00 0.00 H new ATOM 367 N PRO A 23 8.335 -11.048 2.298 1.00 0.00 N ATOM 368 CA PRO A 23 7.128 -10.508 1.699 1.00 0.00 C ATOM 369 C PRO A 23 6.655 -9.227 2.409 1.00 0.00 C ATOM 370 O PRO A 23 5.553 -9.203 2.951 1.00 0.00 O ATOM 371 CB PRO A 23 6.117 -11.643 1.848 1.00 0.00 C ATOM 372 CG PRO A 23 6.578 -12.408 3.036 1.00 0.00 C ATOM 373 CD PRO A 23 8.082 -12.297 3.045 1.00 0.00 C ATOM 0 HA PRO A 23 7.275 -10.206 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.108 -11.257 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.093 -12.271 0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.151 -12.000 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.264 -13.450 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.475 -12.245 4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.552 -13.155 2.564 1.00 0.00 H new ATOM 381 N ILE A 24 7.500 -8.157 2.371 1.00 0.00 N ATOM 382 CA ILE A 24 7.179 -6.833 2.965 1.00 0.00 C ATOM 383 C ILE A 24 7.983 -6.456 4.230 1.00 0.00 C ATOM 384 O ILE A 24 7.408 -6.299 5.308 1.00 0.00 O ATOM 385 CB ILE A 24 5.677 -6.703 3.268 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.887 -6.876 1.976 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.365 -5.357 3.906 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.251 -5.848 0.940 1.00 0.00 C ATOM 0 H ILE A 24 8.418 -8.192 1.929 1.00 0.00 H new ATOM 0 HA ILE A 24 7.481 -6.127 2.192 1.00 0.00 H new ATOM 0 HB ILE A 24 5.390 -7.480 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.067 -7.873 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.821 -6.808 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.296 -5.290 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.920 -5.259 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.655 -4.556 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.661 -6.015 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.046 -4.851 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.311 -5.933 0.700 1.00 0.00 H new ATOM 400 N ASN A 25 9.296 -6.273 4.096 1.00 0.00 N ATOM 401 CA ASN A 25 10.143 -5.878 5.238 1.00 0.00 C ATOM 402 C ASN A 25 9.767 -4.502 5.774 1.00 0.00 C ATOM 403 O ASN A 25 10.558 -3.564 5.681 1.00 0.00 O ATOM 404 CB ASN A 25 11.612 -5.830 4.833 1.00 0.00 C ATOM 405 CG ASN A 25 12.352 -7.131 5.069 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.621 -8.225 5.143 1.00 0.00 O flip ATOM 407 ND2 ASN A 25 13.579 -7.149 5.155 1.00 0.00 N flip ATOM 0 H ASN A 25 9.801 -6.389 3.217 1.00 0.00 H new ATOM 0 HA ASN A 25 9.982 -6.628 6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.680 -5.570 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.107 -5.034 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.107 -6.279 5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.068 -8.034 5.289 1.00 0.00 H new ATOM 414 N SER A 26 8.570 -4.365 6.323 1.00 0.00 N ATOM 415 CA SER A 26 8.137 -3.079 6.842 1.00 0.00 C ATOM 416 C SER A 26 8.139 -2.066 5.709 1.00 0.00 C ATOM 417 O SER A 26 8.859 -2.228 4.725 1.00 0.00 O ATOM 418 CB SER A 26 9.058 -2.601 7.968 1.00 0.00 C ATOM 419 OG SER A 26 10.277 -2.090 7.459 1.00 0.00 O ATOM 0 H SER A 26 7.889 -5.118 6.420 1.00 0.00 H new ATOM 0 HA SER A 26 7.132 -3.183 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.553 -1.830 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.264 -3.428 8.647 1.00 0.00 H new ATOM 0 HG SER A 26 10.673 -2.741 6.843 1.00 0.00 H new ATOM 425 N PRO A 27 7.328 -1.017 5.804 1.00 0.00 N ATOM 426 CA PRO A 27 7.264 -0.019 4.753 1.00 0.00 C ATOM 427 C PRO A 27 8.634 0.479 4.334 1.00 0.00 C ATOM 428 O PRO A 27 8.851 0.784 3.172 1.00 0.00 O ATOM 429 CB PRO A 27 6.426 1.104 5.363 1.00 0.00 C ATOM 430 CG PRO A 27 5.594 0.434 6.404 1.00 0.00 C ATOM 431 CD PRO A 27 6.407 -0.727 6.914 1.00 0.00 C ATOM 0 HA PRO A 27 6.833 -0.424 3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.058 1.878 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.804 1.588 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.353 1.124 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.648 0.092 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.946 -0.469 7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.778 -1.586 7.148 1.00 0.00 H new ATOM 439 N GLU A 28 9.564 0.547 5.267 1.00 0.00 N ATOM 440 CA GLU A 28 10.905 1.003 4.940 1.00 0.00 C ATOM 441 C GLU A 28 11.486 0.186 3.781 1.00 0.00 C ATOM 442 O GLU A 28 11.913 0.738 2.763 1.00 0.00 O ATOM 443 CB GLU A 28 11.811 0.890 6.166 1.00 0.00 C ATOM 444 CG GLU A 28 11.286 1.641 7.380 1.00 0.00 C ATOM 445 CD GLU A 28 12.193 1.510 8.589 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.233 0.828 8.478 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.864 2.089 9.645 1.00 0.00 O ATOM 0 H GLU A 28 9.421 0.296 6.245 1.00 0.00 H new ATOM 0 HA GLU A 28 10.849 2.047 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.931 -0.162 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.800 1.271 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.173 2.696 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.294 1.266 7.633 1.00 0.00 H new ATOM 454 N GLU A 29 11.502 -1.132 3.944 1.00 0.00 N ATOM 455 CA GLU A 29 12.042 -2.018 2.929 1.00 0.00 C ATOM 456 C GLU A 29 11.121 -2.185 1.735 1.00 0.00 C ATOM 457 O GLU A 29 11.520 -1.924 0.606 1.00 0.00 O ATOM 458 CB GLU A 29 12.255 -3.367 3.530 1.00 0.00 C ATOM 459 CG GLU A 29 13.075 -4.283 2.639 1.00 0.00 C ATOM 460 CD GLU A 29 14.431 -3.694 2.297 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.475 -2.717 1.521 1.00 0.00 O ATOM 462 OE2 GLU A 29 15.451 -4.217 2.795 1.00 0.00 O ATOM 0 H GLU A 29 11.145 -1.608 4.773 1.00 0.00 H new ATOM 0 HA GLU A 29 12.972 -1.569 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.757 -3.257 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.288 -3.829 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.214 -5.242 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.524 -4.479 1.719 1.00 0.00 H new ATOM 469 N LEU A 30 9.893 -2.644 1.976 1.00 0.00 N ATOM 470 CA LEU A 30 8.946 -2.853 0.890 1.00 0.00 C ATOM 471 C LEU A 30 8.884 -1.597 0.029 1.00 0.00 C ATOM 472 O LEU A 30 8.898 -1.667 -1.204 1.00 0.00 O ATOM 473 CB LEU A 30 7.565 -3.192 1.460 1.00 0.00 C ATOM 474 CG LEU A 30 6.852 -2.029 2.153 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.194 -1.109 1.138 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.823 -2.537 3.148 1.00 0.00 C ATOM 0 H LEU A 30 9.537 -2.875 2.904 1.00 0.00 H new ATOM 0 HA LEU A 30 9.273 -3.689 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.933 -3.556 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.673 -4.010 2.173 1.00 0.00 H new ATOM 0 HG LEU A 30 7.604 -1.458 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.695 -0.291 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.953 -0.704 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.462 -1.671 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.331 -1.690 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.080 -3.141 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.318 -3.144 3.906 1.00 0.00 H new ATOM 488 N MET A 31 8.873 -0.442 0.690 1.00 0.00 N ATOM 489 CA MET A 31 8.871 0.830 -0.010 1.00 0.00 C ATOM 490 C MET A 31 10.174 0.960 -0.782 1.00 0.00 C ATOM 491 O MET A 31 10.212 1.551 -1.862 1.00 0.00 O ATOM 492 CB MET A 31 8.727 1.998 0.968 1.00 0.00 C ATOM 493 CG MET A 31 8.517 3.349 0.305 1.00 0.00 C ATOM 494 SD MET A 31 8.540 4.700 1.500 1.00 0.00 S ATOM 495 CE MET A 31 7.353 4.116 2.707 1.00 0.00 C ATOM 0 H MET A 31 8.865 -0.366 1.707 1.00 0.00 H new ATOM 0 HA MET A 31 8.021 0.860 -0.692 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.886 1.798 1.632 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.620 2.047 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.295 3.512 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.564 3.349 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.140 4.911 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.432 3.826 2.201 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.764 3.255 3.234 1.00 0.00 H new ATOM 505 N ALA A 32 11.246 0.381 -0.227 1.00 0.00 N ATOM 506 CA ALA A 32 12.544 0.423 -0.886 1.00 0.00 C ATOM 507 C ALA A 32 12.537 -0.460 -2.133 1.00 0.00 C ATOM 508 O ALA A 32 13.273 -0.214 -3.089 1.00 0.00 O ATOM 509 CB ALA A 32 13.640 -0.015 0.074 1.00 0.00 C ATOM 0 H ALA A 32 11.235 -0.114 0.665 1.00 0.00 H new ATOM 0 HA ALA A 32 12.745 1.449 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.604 0.022 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.657 0.653 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.445 -1.034 0.409 1.00 0.00 H new ATOM 515 N ALA A 33 11.709 -1.500 -2.099 1.00 0.00 N ATOM 516 CA ALA A 33 11.601 -2.445 -3.200 1.00 0.00 C ATOM 517 C ALA A 33 10.916 -1.845 -4.421 1.00 0.00 C ATOM 518 O ALA A 33 11.264 -2.180 -5.554 1.00 0.00 O ATOM 519 CB ALA A 33 10.848 -3.677 -2.739 1.00 0.00 C ATOM 0 H ALA A 33 11.097 -1.709 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 33 12.614 -2.713 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.768 -4.384 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.384 -4.143 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.850 -3.391 -2.408 1.00 0.00 H new ATOM 525 N LEU A 34 9.924 -0.985 -4.186 1.00 0.00 N ATOM 526 CA LEU A 34 9.162 -0.357 -5.277 1.00 0.00 C ATOM 527 C LEU A 34 10.003 -0.195 -6.554 1.00 0.00 C ATOM 528 O LEU A 34 11.194 0.112 -6.496 1.00 0.00 O ATOM 529 CB LEU A 34 8.564 0.979 -4.822 1.00 0.00 C ATOM 530 CG LEU A 34 7.254 0.851 -4.030 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.425 -0.104 -2.863 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.781 2.208 -3.529 1.00 0.00 C ATOM 0 H LEU A 34 9.626 -0.705 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 34 8.340 -1.027 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.297 1.500 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.385 1.600 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 34 6.497 0.451 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.486 -0.181 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.708 -1.088 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.204 0.270 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.852 2.087 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.541 2.640 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.611 2.870 -4.378 1.00 0.00 H new ATOM 544 N PRO A 35 9.384 -0.459 -7.722 1.00 0.00 N ATOM 545 CA PRO A 35 10.043 -0.413 -9.040 1.00 0.00 C ATOM 546 C PRO A 35 10.886 0.833 -9.322 1.00 0.00 C ATOM 547 O PRO A 35 11.989 0.720 -9.858 1.00 0.00 O ATOM 548 CB PRO A 35 8.874 -0.491 -10.039 1.00 0.00 C ATOM 549 CG PRO A 35 7.628 -0.380 -9.222 1.00 0.00 C ATOM 550 CD PRO A 35 7.984 -0.878 -7.856 1.00 0.00 C ATOM 0 HA PRO A 35 10.769 -1.224 -9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.933 0.313 -10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.896 -1.430 -10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.278 0.652 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.823 -0.973 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.352 -0.436 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.874 -1.960 -7.777 1.00 0.00 H new ATOM 558 N ASN A 36 10.370 2.016 -9.012 1.00 0.00 N ATOM 559 CA ASN A 36 11.109 3.247 -9.306 1.00 0.00 C ATOM 560 C ASN A 36 12.311 3.439 -8.380 1.00 0.00 C ATOM 561 O ASN A 36 13.272 4.118 -8.744 1.00 0.00 O ATOM 562 CB ASN A 36 10.191 4.480 -9.239 1.00 0.00 C ATOM 563 CG ASN A 36 9.888 4.949 -7.823 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.898 4.034 -6.863 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 9.603 6.127 -7.603 1.00 0.00 N flip ATOM 0 H ASN A 36 9.463 2.154 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 36 11.486 3.143 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.656 5.297 -9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.253 4.250 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.606 6.803 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.364 6.426 -6.657 1.00 0.00 H new ATOM 572 N GLY A 37 12.260 2.855 -7.188 1.00 0.00 N ATOM 573 CA GLY A 37 13.351 2.998 -6.244 1.00 0.00 C ATOM 574 C GLY A 37 13.025 3.960 -5.109 1.00 0.00 C ATOM 575 O GLY A 37 12.935 3.542 -3.956 1.00 0.00 O ATOM 0 H GLY A 37 11.481 2.284 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.596 2.021 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.238 3.351 -6.771 1.00 0.00 H new ATOM 579 N PRO A 38 12.841 5.266 -5.399 1.00 0.00 N ATOM 580 CA PRO A 38 12.526 6.264 -4.375 1.00 0.00 C ATOM 581 C PRO A 38 11.044 6.295 -4.001 1.00 0.00 C ATOM 582 O PRO A 38 10.446 7.366 -3.900 1.00 0.00 O ATOM 583 CB PRO A 38 12.935 7.574 -5.041 1.00 0.00 C ATOM 584 CG PRO A 38 12.689 7.345 -6.492 1.00 0.00 C ATOM 585 CD PRO A 38 12.934 5.875 -6.741 1.00 0.00 C ATOM 0 HA PRO A 38 13.038 6.056 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.347 8.411 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.982 7.808 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.669 7.619 -6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.355 7.958 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.193 5.456 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.912 5.704 -7.190 1.00 0.00 H new ATOM 593 N ASP A 39 10.463 5.121 -3.776 1.00 0.00 N ATOM 594 CA ASP A 39 9.057 5.020 -3.390 1.00 0.00 C ATOM 595 C ASP A 39 8.131 5.503 -4.512 1.00 0.00 C ATOM 596 O ASP A 39 7.796 6.687 -4.580 1.00 0.00 O ATOM 597 CB ASP A 39 8.800 5.849 -2.126 1.00 0.00 C ATOM 598 CG ASP A 39 9.941 5.768 -1.125 1.00 0.00 C ATOM 599 OD1 ASP A 39 10.832 4.911 -1.304 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.935 6.557 -0.158 1.00 0.00 O ATOM 0 H ASP A 39 10.943 4.225 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 39 8.841 3.970 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.642 6.890 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.881 5.504 -1.651 1.00 0.00 H new ATOM 605 N THR A 40 7.718 4.587 -5.390 1.00 0.00 N ATOM 606 CA THR A 40 6.832 4.935 -6.500 1.00 0.00 C ATOM 607 C THR A 40 5.396 5.122 -6.021 1.00 0.00 C ATOM 608 O THR A 40 4.876 4.308 -5.258 1.00 0.00 O ATOM 609 CB THR A 40 6.847 3.861 -7.608 1.00 0.00 C ATOM 610 OG1 THR A 40 6.015 4.273 -8.699 1.00 0.00 O ATOM 611 CG2 THR A 40 6.359 2.519 -7.079 1.00 0.00 C ATOM 0 H THR A 40 7.982 3.602 -5.354 1.00 0.00 H new ATOM 0 HA THR A 40 7.208 5.872 -6.910 1.00 0.00 H new ATOM 0 HB THR A 40 7.875 3.746 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.031 3.588 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.380 1.782 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.008 2.190 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.339 2.623 -6.709 1.00 0.00 H new ATOM 619 N THR A 41 4.754 6.193 -6.478 1.00 0.00 N ATOM 620 CA THR A 41 3.375 6.473 -6.096 1.00 0.00 C ATOM 621 C THR A 41 2.393 5.882 -7.105 1.00 0.00 C ATOM 622 O THR A 41 2.467 6.176 -8.298 1.00 0.00 O ATOM 623 CB THR A 41 3.115 7.990 -5.986 1.00 0.00 C ATOM 624 OG1 THR A 41 4.088 8.597 -5.128 1.00 0.00 O ATOM 625 CG2 THR A 41 1.715 8.263 -5.445 1.00 0.00 C ATOM 0 H THR A 41 5.165 6.879 -7.111 1.00 0.00 H new ATOM 0 HA THR A 41 3.221 6.010 -5.121 1.00 0.00 H new ATOM 0 HB THR A 41 3.194 8.420 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.915 9.560 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.555 9.339 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.974 7.828 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.614 7.817 -4.455 1.00 0.00 H new ATOM 633 N CYS A 42 1.462 5.068 -6.618 1.00 0.00 N ATOM 634 CA CYS A 42 0.451 4.463 -7.480 1.00 0.00 C ATOM 635 C CYS A 42 -0.803 5.331 -7.492 1.00 0.00 C ATOM 636 O CYS A 42 -1.925 4.827 -7.429 1.00 0.00 O ATOM 637 CB CYS A 42 0.109 3.052 -6.997 1.00 0.00 C ATOM 638 SG CYS A 42 1.535 1.944 -6.889 1.00 0.00 S ATOM 0 H CYS A 42 1.386 4.812 -5.634 1.00 0.00 H new ATOM 0 HA CYS A 42 0.849 4.394 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.361 3.119 -6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.626 2.616 -7.673 1.00 0.00 H new ATOM 0 HG CYS A 42 1.254 0.951 -6.098 1.00 0.00 H new ATOM 644 N LYS A 43 -0.595 6.642 -7.552 1.00 0.00 N ATOM 645 CA LYS A 43 -1.693 7.599 -7.548 1.00 0.00 C ATOM 646 C LYS A 43 -2.405 7.663 -8.893 1.00 0.00 C ATOM 647 O LYS A 43 -1.778 7.852 -9.935 1.00 0.00 O ATOM 648 CB LYS A 43 -1.170 8.990 -7.188 1.00 0.00 C ATOM 649 CG LYS A 43 -0.080 9.495 -8.121 1.00 0.00 C ATOM 650 CD LYS A 43 0.379 10.892 -7.736 1.00 0.00 C ATOM 651 CE LYS A 43 1.476 11.392 -8.660 1.00 0.00 C ATOM 652 NZ LYS A 43 1.930 12.762 -8.293 1.00 0.00 N ATOM 0 H LYS A 43 0.331 7.067 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.413 7.261 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.001 9.695 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.783 8.970 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.769 8.812 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.451 9.502 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.468 11.577 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.742 10.887 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.323 10.707 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.113 11.393 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.679 13.067 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.128 13.421 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.301 12.756 -7.321 1.00 0.00 H new ATOM 666 N SER A 44 -3.726 7.542 -8.850 1.00 0.00 N ATOM 667 CA SER A 44 -4.543 7.624 -10.050 1.00 0.00 C ATOM 668 C SER A 44 -5.275 8.959 -10.065 1.00 0.00 C ATOM 669 O SER A 44 -6.060 9.252 -9.163 1.00 0.00 O ATOM 670 CB SER A 44 -5.546 6.470 -10.100 1.00 0.00 C ATOM 671 OG SER A 44 -4.883 5.218 -10.112 1.00 0.00 O ATOM 0 H SER A 44 -4.255 7.386 -7.992 1.00 0.00 H new ATOM 0 HA SER A 44 -3.900 7.550 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.211 6.525 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.169 6.564 -10.990 1.00 0.00 H new ATOM 0 HG SER A 44 -5.426 4.565 -10.600 1.00 0.00 H new ATOM 677 N GLY A 45 -5.003 9.779 -11.073 1.00 0.00 N ATOM 678 CA GLY A 45 -5.640 11.078 -11.148 1.00 0.00 C ATOM 679 C GLY A 45 -5.286 11.945 -9.952 1.00 0.00 C ATOM 680 O GLY A 45 -4.111 12.086 -9.609 1.00 0.00 O ATOM 0 H GLY A 45 -4.357 9.569 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.335 11.581 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.721 10.951 -11.199 1.00 0.00 H new ATOM 684 N ASP A 46 -6.298 12.521 -9.315 1.00 0.00 N ATOM 685 CA ASP A 46 -6.083 13.371 -8.148 1.00 0.00 C ATOM 686 C ASP A 46 -5.737 12.542 -6.910 1.00 0.00 C ATOM 687 O ASP A 46 -4.927 12.956 -6.080 1.00 0.00 O ATOM 688 CB ASP A 46 -7.324 14.227 -7.876 1.00 0.00 C ATOM 689 CG ASP A 46 -8.586 13.399 -7.725 1.00 0.00 C ATOM 690 OD1 ASP A 46 -8.504 12.161 -7.881 1.00 0.00 O ATOM 691 OD2 ASP A 46 -9.653 13.982 -7.445 1.00 0.00 O ATOM 0 H ASP A 46 -7.276 12.416 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.238 14.025 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.166 14.810 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.456 14.937 -8.692 1.00 0.00 H new ATOM 696 N VAL A 47 -6.362 11.375 -6.790 1.00 0.00 N ATOM 697 CA VAL A 47 -6.135 10.487 -5.653 1.00 0.00 C ATOM 698 C VAL A 47 -4.713 9.926 -5.654 1.00 0.00 C ATOM 699 O VAL A 47 -4.154 9.634 -6.712 1.00 0.00 O ATOM 700 CB VAL A 47 -7.141 9.317 -5.657 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.936 8.417 -4.448 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.568 9.844 -5.705 1.00 0.00 C ATOM 0 H VAL A 47 -7.034 11.020 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.277 11.083 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.965 8.719 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.658 7.601 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.926 8.009 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.078 8.996 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.265 9.006 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.755 10.469 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.707 10.435 -6.610 1.00 0.00 H new ATOM 712 N GLU A 48 -4.136 9.777 -4.462 1.00 0.00 N ATOM 713 CA GLU A 48 -2.783 9.249 -4.326 1.00 0.00 C ATOM 714 C GLU A 48 -2.698 8.264 -3.162 1.00 0.00 C ATOM 715 O GLU A 48 -3.087 8.582 -2.039 1.00 0.00 O ATOM 716 CB GLU A 48 -1.788 10.391 -4.100 1.00 0.00 C ATOM 717 CG GLU A 48 -1.914 11.526 -5.104 1.00 0.00 C ATOM 718 CD GLU A 48 -0.952 12.665 -4.824 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.183 12.565 -3.844 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.968 13.656 -5.583 1.00 0.00 O ATOM 0 H GLU A 48 -4.586 10.015 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.532 8.726 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.930 10.790 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.775 9.991 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.732 11.140 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.935 11.907 -5.090 1.00 0.00 H new ATOM 727 N LEU A 49 -2.176 7.071 -3.438 1.00 0.00 N ATOM 728 CA LEU A 49 -2.027 6.037 -2.415 1.00 0.00 C ATOM 729 C LEU A 49 -0.726 5.270 -2.614 1.00 0.00 C ATOM 730 O LEU A 49 -0.380 4.894 -3.734 1.00 0.00 O ATOM 731 CB LEU A 49 -3.205 5.056 -2.446 1.00 0.00 C ATOM 732 CG LEU A 49 -4.546 5.608 -1.954 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.402 6.200 -0.560 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.097 6.638 -2.928 1.00 0.00 C ATOM 0 H LEU A 49 -1.848 6.795 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.009 6.534 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.332 4.703 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.946 4.188 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.257 4.783 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.365 6.587 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.064 5.427 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.674 7.011 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.050 7.016 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.391 7.463 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.245 6.174 -3.903 1.00 0.00 H new ATOM 746 N LYS A 50 -0.003 5.046 -1.521 1.00 0.00 N ATOM 747 CA LYS A 50 1.263 4.331 -1.578 1.00 0.00 C ATOM 748 C LYS A 50 1.785 4.030 -0.173 1.00 0.00 C ATOM 749 O LYS A 50 1.084 4.239 0.814 1.00 0.00 O ATOM 750 CB LYS A 50 2.283 5.156 -2.358 1.00 0.00 C ATOM 751 CG LYS A 50 2.294 6.620 -1.955 1.00 0.00 C ATOM 752 CD LYS A 50 3.483 7.363 -2.538 1.00 0.00 C ATOM 753 CE LYS A 50 4.794 6.841 -1.974 1.00 0.00 C ATOM 754 NZ LYS A 50 5.241 5.588 -2.645 1.00 0.00 N ATOM 0 H LYS A 50 -0.274 5.350 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 50 1.104 3.380 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.277 4.735 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.066 5.080 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.371 7.095 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.317 6.696 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.484 7.257 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.390 8.427 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.564 7.604 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.679 6.657 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.167 4.792 -1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.639 5.404 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.229 5.692 -2.952 1.00 0.00 H new ATOM 768 N ALA A 51 3.013 3.527 -0.091 1.00 0.00 N ATOM 769 CA ALA A 51 3.615 3.186 1.192 1.00 0.00 C ATOM 770 C ALA A 51 3.935 4.428 2.027 1.00 0.00 C ATOM 771 O ALA A 51 3.584 4.502 3.202 1.00 0.00 O ATOM 772 CB ALA A 51 4.872 2.357 0.973 1.00 0.00 C ATOM 0 H ALA A 51 3.610 3.347 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 51 2.887 2.600 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.315 2.107 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.615 1.440 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.587 2.930 0.382 1.00 0.00 H new ATOM 778 N SER A 52 4.612 5.398 1.426 1.00 0.00 N ATOM 779 CA SER A 52 4.977 6.617 2.141 1.00 0.00 C ATOM 780 C SER A 52 3.746 7.439 2.513 1.00 0.00 C ATOM 781 O SER A 52 3.604 7.881 3.653 1.00 0.00 O ATOM 782 CB SER A 52 5.932 7.466 1.298 1.00 0.00 C ATOM 783 OG SER A 52 6.344 8.623 2.005 1.00 0.00 O ATOM 0 H SER A 52 4.918 5.367 0.453 1.00 0.00 H new ATOM 0 HA SER A 52 5.477 6.319 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.805 6.873 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.441 7.759 0.370 1.00 0.00 H new ATOM 0 HG SER A 52 6.954 9.148 1.446 1.00 0.00 H new ATOM 789 N ASP A 53 2.867 7.654 1.541 1.00 0.00 N ATOM 790 CA ASP A 53 1.655 8.439 1.759 1.00 0.00 C ATOM 791 C ASP A 53 0.647 7.710 2.647 1.00 0.00 C ATOM 792 O ASP A 53 0.185 8.257 3.648 1.00 0.00 O ATOM 793 CB ASP A 53 1.006 8.786 0.418 1.00 0.00 C ATOM 794 CG ASP A 53 1.919 9.603 -0.476 1.00 0.00 C ATOM 795 OD1 ASP A 53 3.057 9.898 -0.051 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.499 9.948 -1.601 1.00 0.00 O ATOM 0 H ASP A 53 2.970 7.295 0.592 1.00 0.00 H new ATOM 0 HA ASP A 53 1.949 9.353 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.728 7.866 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.086 9.342 0.597 1.00 0.00 H new ATOM 801 N ALA A 54 0.289 6.485 2.268 1.00 0.00 N ATOM 802 CA ALA A 54 -0.684 5.707 3.031 1.00 0.00 C ATOM 803 C ALA A 54 -0.017 4.768 4.035 1.00 0.00 C ATOM 804 O ALA A 54 -0.425 4.701 5.193 1.00 0.00 O ATOM 805 CB ALA A 54 -1.586 4.923 2.091 1.00 0.00 C ATOM 0 H ALA A 54 0.656 6.012 1.442 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.286 6.413 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.306 4.348 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.118 5.614 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.982 4.245 1.489 1.00 0.00 H new ATOM 811 N GLY A 55 1.003 4.039 3.586 1.00 0.00 N ATOM 812 CA GLY A 55 1.700 3.107 4.464 1.00 0.00 C ATOM 813 C GLY A 55 2.060 3.713 5.808 1.00 0.00 C ATOM 814 O GLY A 55 2.197 3.000 6.800 1.00 0.00 O ATOM 0 H GLY A 55 1.360 4.076 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.073 2.230 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.610 2.764 3.971 1.00 0.00 H new ATOM 818 N GLN A 56 2.212 5.035 5.840 1.00 0.00 N ATOM 819 CA GLN A 56 2.553 5.748 7.072 1.00 0.00 C ATOM 820 C GLN A 56 1.743 5.238 8.260 1.00 0.00 C ATOM 821 O GLN A 56 2.198 5.284 9.403 1.00 0.00 O ATOM 822 CB GLN A 56 2.301 7.245 6.894 1.00 0.00 C ATOM 823 CG GLN A 56 0.904 7.568 6.392 1.00 0.00 C ATOM 824 CD GLN A 56 0.679 9.056 6.216 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.371 9.712 5.438 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.294 9.597 6.939 1.00 0.00 N ATOM 0 H GLN A 56 2.104 5.638 5.024 1.00 0.00 H new ATOM 0 HA GLN A 56 3.609 5.568 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.462 7.748 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.033 7.648 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.738 7.064 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.169 7.173 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.843 9.015 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.493 10.594 6.862 1.00 0.00 H new ATOM 835 N VAL A 57 0.533 4.771 7.980 1.00 0.00 N ATOM 836 CA VAL A 57 -0.365 4.266 9.013 1.00 0.00 C ATOM 837 C VAL A 57 0.049 2.891 9.546 1.00 0.00 C ATOM 838 O VAL A 57 -0.798 2.123 10.006 1.00 0.00 O ATOM 839 CB VAL A 57 -1.806 4.196 8.479 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.264 5.577 8.032 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.906 3.196 7.337 1.00 0.00 C ATOM 0 H VAL A 57 0.147 4.731 7.037 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.305 4.968 9.845 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.462 3.856 9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.285 5.517 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.229 6.264 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.607 5.940 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.933 3.161 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.244 3.502 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.613 2.208 7.692 1.00 0.00 H new ATOM 851 N LEU A 58 1.343 2.583 9.500 1.00 0.00 N ATOM 852 CA LEU A 58 1.841 1.302 9.995 1.00 0.00 C ATOM 853 C LEU A 58 3.061 1.526 10.889 1.00 0.00 C ATOM 854 O LEU A 58 4.091 2.020 10.433 1.00 0.00 O ATOM 855 CB LEU A 58 2.209 0.388 8.822 1.00 0.00 C ATOM 856 CG LEU A 58 1.159 0.311 7.708 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.693 -0.482 6.523 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.135 -0.304 8.226 1.00 0.00 C ATOM 0 H LEU A 58 2.064 3.201 9.126 1.00 0.00 H new ATOM 0 HA LEU A 58 1.057 0.822 10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.149 0.734 8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.385 -0.617 9.205 1.00 0.00 H new ATOM 0 HG LEU A 58 0.943 1.326 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.933 -0.526 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.587 0.005 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.942 -1.493 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.866 -0.349 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.062 -1.311 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.529 0.307 9.038 1.00 0.00 H new ATOM 870 N THR A 59 2.932 1.171 12.165 1.00 0.00 N ATOM 871 CA THR A 59 4.021 1.347 13.124 1.00 0.00 C ATOM 872 C THR A 59 5.165 0.371 12.864 1.00 0.00 C ATOM 873 O THR A 59 4.970 -0.690 12.272 1.00 0.00 O ATOM 874 CB THR A 59 3.531 1.177 14.575 1.00 0.00 C ATOM 875 OG1 THR A 59 2.984 -0.133 14.764 1.00 0.00 O ATOM 876 CG2 THR A 59 2.481 2.224 14.916 1.00 0.00 C ATOM 0 H THR A 59 2.086 0.760 12.559 1.00 0.00 H new ATOM 0 HA THR A 59 4.387 2.365 12.989 1.00 0.00 H new ATOM 0 HB THR A 59 4.386 1.309 15.239 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.707 -0.500 13.898 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.149 2.085 15.945 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.910 3.220 14.804 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.630 2.118 14.243 1.00 0.00 H new ATOM 884 N ALA A 60 6.363 0.745 13.314 1.00 0.00 N ATOM 885 CA ALA A 60 7.551 -0.089 13.137 1.00 0.00 C ATOM 886 C ALA A 60 7.284 -1.534 13.547 1.00 0.00 C ATOM 887 O ALA A 60 7.745 -2.469 12.893 1.00 0.00 O ATOM 888 CB ALA A 60 8.715 0.481 13.933 1.00 0.00 C ATOM 0 H ALA A 60 6.536 1.622 13.805 1.00 0.00 H new ATOM 0 HA ALA A 60 7.809 -0.087 12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.594 -0.148 13.794 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.933 1.491 13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.453 0.509 14.991 1.00 0.00 H new ATOM 894 N ASP A 61 6.532 -1.712 14.629 1.00 0.00 N ATOM 895 CA ASP A 61 6.198 -3.046 15.118 1.00 0.00 C ATOM 896 C ASP A 61 5.637 -3.908 13.987 1.00 0.00 C ATOM 897 O ASP A 61 5.758 -5.132 14.005 1.00 0.00 O ATOM 898 CB ASP A 61 5.184 -2.956 16.260 1.00 0.00 C ATOM 899 CG ASP A 61 4.824 -4.316 16.826 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.736 -5.014 17.317 1.00 0.00 O ATOM 901 OD2 ASP A 61 3.631 -4.683 16.778 1.00 0.00 O ATOM 0 H ASP A 61 6.142 -0.950 15.184 1.00 0.00 H new ATOM 0 HA ASP A 61 7.110 -3.512 15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.592 -2.332 17.055 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.280 -2.465 15.901 1.00 0.00 H new ATOM 906 N ASP A 62 5.025 -3.250 13.008 1.00 0.00 N ATOM 907 CA ASP A 62 4.439 -3.934 11.859 1.00 0.00 C ATOM 908 C ASP A 62 5.506 -4.491 10.916 1.00 0.00 C ATOM 909 O ASP A 62 5.173 -5.025 9.860 1.00 0.00 O ATOM 910 CB ASP A 62 3.545 -2.973 11.079 1.00 0.00 C ATOM 911 CG ASP A 62 2.455 -2.364 11.939 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.791 -1.701 12.941 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.265 -2.550 11.609 1.00 0.00 O ATOM 0 H ASP A 62 4.921 -2.236 12.987 1.00 0.00 H new ATOM 0 HA ASP A 62 3.855 -4.769 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.156 -2.176 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.089 -3.504 10.243 1.00 0.00 H new ATOM 918 N PHE A 63 6.782 -4.349 11.277 1.00 0.00 N ATOM 919 CA PHE A 63 7.876 -4.823 10.429 1.00 0.00 C ATOM 920 C PHE A 63 7.531 -6.137 9.728 1.00 0.00 C ATOM 921 O PHE A 63 7.630 -6.229 8.506 1.00 0.00 O ATOM 922 CB PHE A 63 9.162 -4.987 11.245 1.00 0.00 C ATOM 923 CG PHE A 63 10.254 -4.040 10.842 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.042 -2.670 10.852 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.492 -4.520 10.451 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.046 -1.798 10.479 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.500 -3.654 10.077 1.00 0.00 C ATOM 928 CZ PHE A 63 12.278 -2.290 10.092 1.00 0.00 C ATOM 0 H PHE A 63 7.083 -3.911 12.148 1.00 0.00 H new ATOM 0 HA PHE A 63 8.034 -4.067 9.660 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.934 -4.838 12.300 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.522 -6.010 11.138 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.081 -2.280 11.155 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.672 -5.585 10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.868 -0.733 10.490 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.461 -4.042 9.773 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.066 -1.610 9.802 1.00 0.00 H new ATOM 938 N PRO A 64 7.114 -7.167 10.483 1.00 0.00 N ATOM 939 CA PRO A 64 6.749 -8.463 9.922 1.00 0.00 C ATOM 940 C PRO A 64 5.313 -8.483 9.409 1.00 0.00 C ATOM 941 O PRO A 64 4.411 -8.998 10.071 1.00 0.00 O ATOM 942 CB PRO A 64 6.923 -9.433 11.099 1.00 0.00 C ATOM 943 CG PRO A 64 7.226 -8.593 12.307 1.00 0.00 C ATOM 944 CD PRO A 64 6.950 -7.161 11.936 1.00 0.00 C ATOM 0 HA PRO A 64 7.362 -8.721 9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.018 -10.021 11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.732 -10.137 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.608 -8.897 13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.265 -8.718 12.611 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.946 -6.853 12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.647 -6.476 12.419 1.00 0.00 H new ATOM 952 N PHE A 65 5.108 -7.912 8.227 1.00 0.00 N ATOM 953 CA PHE A 65 3.783 -7.855 7.620 1.00 0.00 C ATOM 954 C PHE A 65 3.387 -9.194 7.009 1.00 0.00 C ATOM 955 O PHE A 65 4.219 -9.902 6.442 1.00 0.00 O ATOM 956 CB PHE A 65 3.742 -6.781 6.535 1.00 0.00 C ATOM 957 CG PHE A 65 2.902 -5.589 6.890 1.00 0.00 C ATOM 958 CD1 PHE A 65 3.418 -4.543 7.631 1.00 0.00 C ATOM 959 CD2 PHE A 65 1.583 -5.533 6.490 1.00 0.00 C ATOM 960 CE1 PHE A 65 2.627 -3.460 7.964 1.00 0.00 C ATOM 961 CE2 PHE A 65 0.786 -4.457 6.815 1.00 0.00 C ATOM 962 CZ PHE A 65 1.308 -3.417 7.555 1.00 0.00 C ATOM 0 H PHE A 65 5.845 -7.481 7.669 1.00 0.00 H new ATOM 0 HA PHE A 65 3.075 -7.611 8.412 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.759 -6.448 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.359 -7.222 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.449 -4.572 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.168 -6.346 5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.040 -2.648 8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.244 -4.428 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.688 -2.572 7.814 1.00 0.00 H new ATOM 972 N LYS A 66 2.104 -9.522 7.118 1.00 0.00 N ATOM 973 CA LYS A 66 1.575 -10.761 6.563 1.00 0.00 C ATOM 974 C LYS A 66 1.598 -10.718 5.038 1.00 0.00 C ATOM 975 O LYS A 66 0.552 -10.695 4.377 1.00 0.00 O ATOM 976 CB LYS A 66 0.154 -11.023 7.059 1.00 0.00 C ATOM 977 CG LYS A 66 0.066 -11.386 8.536 1.00 0.00 C ATOM 978 CD LYS A 66 0.633 -10.292 9.429 1.00 0.00 C ATOM 979 CE LYS A 66 0.460 -10.633 10.900 1.00 0.00 C ATOM 980 NZ LYS A 66 1.154 -11.899 11.263 1.00 0.00 N ATOM 0 H LYS A 66 1.408 -8.943 7.588 1.00 0.00 H new ATOM 0 HA LYS A 66 2.212 -11.577 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.452 -10.135 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.281 -11.831 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.975 -11.568 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.608 -12.315 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.691 -10.152 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.134 -9.348 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.850 -9.818 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.602 -10.723 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.157 -12.009 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.657 -12.704 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.134 -11.870 10.915 1.00 0.00 H new ATOM 994 N SER A 67 2.802 -10.709 4.488 1.00 0.00 N ATOM 995 CA SER A 67 2.990 -10.680 3.049 1.00 0.00 C ATOM 996 C SER A 67 2.377 -9.434 2.412 1.00 0.00 C ATOM 997 O SER A 67 1.522 -8.766 3.000 1.00 0.00 O ATOM 998 CB SER A 67 2.410 -11.943 2.416 1.00 0.00 C ATOM 999 OG SER A 67 2.984 -13.107 2.986 1.00 0.00 O ATOM 0 H SER A 67 3.670 -10.722 5.024 1.00 0.00 H new ATOM 0 HA SER A 67 4.063 -10.643 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.329 -11.961 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.592 -11.932 1.341 1.00 0.00 H new ATOM 0 HG SER A 67 2.596 -13.903 2.566 1.00 0.00 H new ATOM 1005 N ALA A 68 2.833 -9.133 1.199 1.00 0.00 N ATOM 1006 CA ALA A 68 2.357 -7.975 0.450 1.00 0.00 C ATOM 1007 C ALA A 68 0.837 -7.947 0.376 1.00 0.00 C ATOM 1008 O ALA A 68 0.228 -6.879 0.323 1.00 0.00 O ATOM 1009 CB ALA A 68 2.960 -7.980 -0.946 1.00 0.00 C ATOM 0 H ALA A 68 3.540 -9.682 0.710 1.00 0.00 H new ATOM 0 HA ALA A 68 2.676 -7.074 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.601 -7.113 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.047 -7.939 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.665 -8.891 -1.466 1.00 0.00 H new ATOM 1015 N GLU A 69 0.228 -9.125 0.369 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.221 -9.224 0.301 1.00 0.00 C ATOM 1017 C GLU A 69 -1.884 -8.478 1.455 1.00 0.00 C ATOM 1018 O GLU A 69 -2.833 -7.716 1.239 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.660 -10.688 0.296 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.141 -11.471 1.476 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.500 -12.944 1.410 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.160 -13.351 0.430 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.120 -13.691 2.337 1.00 0.00 O ATOM 0 H GLU A 69 0.714 -10.021 0.409 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.541 -8.757 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.749 -10.733 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.316 -11.160 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.057 -11.368 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.544 -11.045 2.395 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.398 -8.680 2.686 1.00 0.00 N ATOM 1031 CA GLU A 70 -1.997 -7.995 3.818 1.00 0.00 C ATOM 1032 C GLU A 70 -1.690 -6.506 3.763 1.00 0.00 C ATOM 1033 O GLU A 70 -2.519 -5.683 4.131 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.573 -8.609 5.164 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.425 -7.895 5.860 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.574 -7.892 7.371 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.581 -8.439 7.871 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.314 -7.343 8.055 1.00 0.00 O ATOM 0 H GLU A 70 -0.616 -9.294 2.912 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.077 -8.126 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.435 -8.616 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.289 -9.648 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.515 -8.377 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.370 -6.867 5.501 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.495 -6.166 3.293 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.102 -4.765 3.187 1.00 0.00 C ATOM 1047 C VAL A 71 -1.023 -4.016 2.230 1.00 0.00 C ATOM 1048 O VAL A 71 -1.484 -2.918 2.529 1.00 0.00 O ATOM 1049 CB VAL A 71 1.349 -4.617 2.704 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.744 -3.149 2.601 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.283 -5.363 3.637 1.00 0.00 C ATOM 0 H VAL A 71 0.212 -6.833 2.982 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.184 -4.337 4.186 1.00 0.00 H new ATOM 0 HB VAL A 71 1.429 -5.051 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.776 -3.073 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.087 -2.644 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.652 -2.678 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.310 -5.253 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.196 -4.953 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.015 -6.420 3.651 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.288 -4.621 1.077 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.156 -4.008 0.079 1.00 0.00 C ATOM 1063 C ALA A 72 -3.522 -3.680 0.671 1.00 0.00 C ATOM 1064 O ALA A 72 -4.017 -2.561 0.532 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.304 -4.929 -1.123 1.00 0.00 C ATOM 0 H ALA A 72 -0.915 -5.533 0.811 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.698 -3.074 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.954 -4.461 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.324 -5.111 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.740 -5.876 -0.804 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.126 -4.661 1.333 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.436 -4.473 1.948 1.00 0.00 C ATOM 1073 C ASP A 73 -5.359 -3.511 3.133 1.00 0.00 C ATOM 1074 O ASP A 73 -6.264 -2.710 3.355 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.004 -5.819 2.406 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.181 -6.793 1.258 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.173 -7.123 0.598 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.327 -7.227 1.020 1.00 0.00 O ATOM 0 H ASP A 73 -3.731 -5.593 1.458 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.098 -4.039 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.339 -6.256 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.966 -5.657 2.893 1.00 0.00 H new ATOM 1083 N THR A 74 -4.281 -3.611 3.898 1.00 0.00 N ATOM 1084 CA THR A 74 -4.081 -2.769 5.073 1.00 0.00 C ATOM 1085 C THR A 74 -3.958 -1.291 4.704 1.00 0.00 C ATOM 1086 O THR A 74 -4.644 -0.442 5.275 1.00 0.00 O ATOM 1087 CB THR A 74 -2.820 -3.204 5.848 1.00 0.00 C ATOM 1088 OG1 THR A 74 -2.957 -4.563 6.282 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.577 -2.310 7.056 1.00 0.00 C ATOM 0 H THR A 74 -3.524 -4.273 3.725 1.00 0.00 H new ATOM 0 HA THR A 74 -4.962 -2.894 5.703 1.00 0.00 H new ATOM 0 HB THR A 74 -1.967 -3.115 5.175 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.499 -5.156 5.650 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.681 -2.643 7.581 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.442 -1.280 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.433 -2.366 7.728 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.077 -0.987 3.758 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.863 0.391 3.329 1.00 0.00 C ATOM 1099 C ILE A 75 -4.151 1.010 2.791 1.00 0.00 C ATOM 1100 O ILE A 75 -4.553 2.092 3.218 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.758 0.469 2.253 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.434 -0.050 2.816 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.590 1.895 1.742 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.696 -0.041 1.810 1.00 0.00 C ATOM 0 H ILE A 75 -2.500 -1.675 3.274 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.545 0.957 4.204 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.057 -0.159 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.150 0.559 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.577 -1.067 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.806 1.920 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.528 2.237 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.316 2.548 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.603 -0.422 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.433 -0.673 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.867 0.978 1.464 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.789 0.324 1.850 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.027 0.816 1.256 1.00 0.00 C ATOM 1118 C VAL A 76 -7.125 1.012 2.302 1.00 0.00 C ATOM 1119 O VAL A 76 -7.878 1.984 2.242 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.534 -0.128 0.148 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.674 0.003 -1.098 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.556 -1.570 0.635 1.00 0.00 C ATOM 0 H VAL A 76 -4.471 -0.573 1.482 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.793 1.786 0.816 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.554 0.160 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.047 -0.671 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.715 1.030 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.643 -0.256 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.917 -2.218 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.549 -1.873 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.218 -1.653 1.497 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.218 0.088 3.253 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.235 0.172 4.301 1.00 0.00 C ATOM 1134 C ASN A 77 -8.059 1.423 5.160 1.00 0.00 C ATOM 1135 O ASN A 77 -8.982 2.224 5.302 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.183 -1.071 5.198 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.623 -2.351 4.497 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.977 -2.264 3.215 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -8.643 -3.420 5.108 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.606 -0.725 3.322 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.205 0.228 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.165 -1.200 5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.818 -0.907 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.366 -3.452 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.937 -4.273 4.633 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.874 1.575 5.739 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.576 2.715 6.598 1.00 0.00 C ATOM 1148 C LYS A 78 -6.492 4.015 5.806 1.00 0.00 C ATOM 1149 O LYS A 78 -6.941 5.064 6.268 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.260 2.476 7.331 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.301 1.280 8.269 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.965 1.062 8.959 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.038 -0.078 9.963 1.00 0.00 C ATOM 1154 NZ LYS A 78 -2.736 -0.294 10.654 1.00 0.00 N ATOM 0 H LYS A 78 -6.100 0.920 5.628 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.391 2.813 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.466 2.327 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.003 3.368 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.077 1.432 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.571 0.386 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.200 0.844 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.663 1.978 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.810 0.138 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.334 -0.994 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.899 -0.399 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.286 -1.155 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.114 0.522 10.485 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.896 3.941 4.625 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.729 5.121 3.782 1.00 0.00 C ATOM 1170 C ALA A 79 -7.064 5.653 3.266 1.00 0.00 C ATOM 1171 O ALA A 79 -7.208 6.855 3.041 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.808 4.804 2.615 1.00 0.00 C ATOM 0 H ALA A 79 -5.520 3.080 4.228 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.282 5.901 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.691 5.691 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.834 4.495 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.238 3.998 2.020 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.040 4.769 3.085 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.338 5.208 2.601 1.00 0.00 C ATOM 1180 C GLY A 80 -10.109 4.120 1.888 1.00 0.00 C ATOM 1181 O GLY A 80 -11.252 3.822 2.235 1.00 0.00 O ATOM 0 H GLY A 80 -7.959 3.768 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.928 5.570 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.200 6.050 1.923 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.483 3.546 0.876 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.100 2.500 0.076 1.00 0.00 C ATOM 1187 C LEU A 81 -10.308 1.227 0.893 1.00 0.00 C ATOM 1188 O LEU A 81 -11.385 1.092 1.510 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.224 2.226 -1.144 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.842 3.479 -1.934 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.717 3.175 -2.912 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -10.052 4.031 -2.672 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.396 0.376 0.908 1.00 0.00 O ATOM 0 H LEU A 81 -8.536 3.790 0.585 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.084 2.836 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.313 1.723 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.748 1.538 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.490 4.234 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.460 4.079 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.843 2.824 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.041 2.403 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.763 4.922 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.431 3.278 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.830 4.289 -1.953 1.00 0.00 H new TER 1205 LEU A 81