USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 LYS NZ :NH3+ -153:sc= 1.69 (180deg=0) USER MOD Set 1.2: A 39 THR OG1 : rot -158:sc= 0.348 USER MOD Set 1.3: A 45 GLN : amide:sc= 0.747 K(o=2.8,f=-3.8!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -126:sc= -0.0652! (180deg=-0.69!) USER MOD Set 2.2: A 55 THR OG1 : rot -97:sc= 1.58 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.262! (180deg=-1.2!) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.694) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.134 (180deg=-0.698) USER MOD Single : A 8 THR OG1 : rot -16:sc= 0.826 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.45 K(o=-0.45,f=-3.1!) USER MOD Single : A 13 SER OG : rot -75:sc= 0.162 USER MOD Single : A 15 TYR OH : rot 10:sc= 0.939 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -1.12! (180deg=-4.74!) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0231 (180deg=-0.215) USER MOD Single : A 28 MET CE :methyl -171:sc= -0.196 (180deg=-0.376) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.789 F(o=-2.4,f=-0.79) USER MOD Single : A 42 ASN : amide:sc= 0.552 K(o=0.55,f=-1.1) USER MOD Single : A 51 MET CE :methyl -161:sc= -0.0554 (180deg=-0.494) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.873) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.229 0.532 -1.265 1.00 0.00 N ATOM 2 CA MET A 1 2.902 -0.046 -0.949 1.00 0.00 C ATOM 3 C MET A 1 2.797 -1.481 -1.472 1.00 0.00 C ATOM 4 O MET A 1 2.253 -1.735 -2.545 1.00 0.00 O ATOM 5 CB MET A 1 1.781 0.839 -1.520 1.00 0.00 C ATOM 6 CG MET A 1 1.906 1.129 -3.011 1.00 0.00 C ATOM 7 SD MET A 1 3.453 1.955 -3.433 1.00 0.00 S ATOM 8 CE MET A 1 3.269 2.136 -5.207 1.00 0.00 C ATOM 0 H1 MET A 1 4.451 1.285 -0.583 1.00 0.00 H new ATOM 0 H2 MET A 1 4.954 -0.212 -1.209 1.00 0.00 H new ATOM 0 H3 MET A 1 4.215 0.929 -2.226 1.00 0.00 H new ATOM 0 HA MET A 1 2.787 -0.079 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.822 0.354 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.769 1.785 -0.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.835 0.194 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.069 1.751 -3.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.150 2.632 -5.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.162 1.152 -5.664 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.383 2.734 -5.422 1.00 0.00 H new ATOM 18 N LYS A 2 3.330 -2.415 -0.691 1.00 0.00 N ATOM 19 CA LYS A 2 3.403 -3.820 -1.080 1.00 0.00 C ATOM 20 C LYS A 2 2.291 -4.621 -0.402 1.00 0.00 C ATOM 21 O LYS A 2 2.212 -4.670 0.830 1.00 0.00 O ATOM 22 CB LYS A 2 4.784 -4.379 -0.689 1.00 0.00 C ATOM 23 CG LYS A 2 4.979 -5.872 -0.965 1.00 0.00 C ATOM 24 CD LYS A 2 6.351 -6.353 -0.487 1.00 0.00 C ATOM 25 CE LYS A 2 6.514 -7.866 -0.613 1.00 0.00 C ATOM 26 NZ LYS A 2 6.494 -8.325 -2.027 1.00 0.00 N ATOM 0 H LYS A 2 3.724 -2.220 0.230 1.00 0.00 H new ATOM 0 HA LYS A 2 3.270 -3.905 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.551 -3.822 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.945 -4.197 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.197 -6.442 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.877 -6.063 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.129 -5.857 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.493 -6.060 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.454 -8.167 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.714 -8.361 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.065 -9.189 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.514 -8.525 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.889 -7.582 -2.639 1.00 0.00 H new ATOM 40 N VAL A 3 1.418 -5.220 -1.205 1.00 0.00 N ATOM 41 CA VAL A 3 0.384 -6.113 -0.692 1.00 0.00 C ATOM 42 C VAL A 3 0.262 -7.338 -1.592 1.00 0.00 C ATOM 43 O VAL A 3 0.216 -7.216 -2.818 1.00 0.00 O ATOM 44 CB VAL A 3 -0.994 -5.408 -0.570 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.559 -5.034 -1.940 1.00 0.00 C ATOM 46 CG2 VAL A 3 -1.976 -6.276 0.208 1.00 0.00 C ATOM 0 H VAL A 3 1.406 -5.103 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 3 0.685 -6.418 0.310 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.843 -4.481 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.524 -4.543 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.870 -4.357 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.686 -5.935 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.935 -5.763 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.111 -7.226 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.585 -6.460 1.209 1.00 0.00 H new ATOM 56 N MET A 4 0.231 -8.517 -0.985 1.00 0.00 N ATOM 57 CA MET A 4 0.135 -9.765 -1.730 1.00 0.00 C ATOM 58 C MET A 4 -1.213 -10.430 -1.476 1.00 0.00 C ATOM 59 O MET A 4 -1.536 -10.786 -0.341 1.00 0.00 O ATOM 60 CB MET A 4 1.274 -10.716 -1.334 1.00 0.00 C ATOM 61 CG MET A 4 1.257 -12.040 -2.086 1.00 0.00 C ATOM 62 SD MET A 4 2.611 -13.134 -1.607 1.00 0.00 S ATOM 63 CE MET A 4 2.269 -13.362 0.138 1.00 0.00 C ATOM 0 H MET A 4 0.271 -8.635 0.027 1.00 0.00 H new ATOM 0 HA MET A 4 0.222 -9.539 -2.793 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.228 -10.220 -1.512 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.213 -10.915 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.307 -12.544 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.315 -11.845 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.774 -14.260 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.630 -12.498 0.695 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.194 -13.467 0.287 1.00 0.00 H new ATOM 73 N ILE A 5 -1.999 -10.578 -2.535 1.00 0.00 N ATOM 74 CA ILE A 5 -3.285 -11.258 -2.450 1.00 0.00 C ATOM 75 C ILE A 5 -3.080 -12.754 -2.659 1.00 0.00 C ATOM 76 O ILE A 5 -2.600 -13.175 -3.713 1.00 0.00 O ATOM 77 CB ILE A 5 -4.283 -10.732 -3.517 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.424 -9.202 -3.424 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.648 -11.412 -3.365 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.965 -8.707 -2.099 1.00 0.00 C ATOM 0 H ILE A 5 -1.767 -10.234 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.704 -11.061 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.888 -10.978 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.449 -8.747 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.082 -8.860 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.332 -11.029 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.534 -12.489 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.050 -11.203 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.033 -7.619 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.955 -9.130 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.297 -9.015 -1.295 1.00 0.00 H new ATOM 92 N ARG A 6 -3.438 -13.557 -1.660 1.00 0.00 N ATOM 93 CA ARG A 6 -3.270 -15.004 -1.750 1.00 0.00 C ATOM 94 C ARG A 6 -4.573 -15.654 -2.199 1.00 0.00 C ATOM 95 O ARG A 6 -5.631 -15.436 -1.600 1.00 0.00 O ATOM 96 CB ARG A 6 -2.818 -15.595 -0.405 1.00 0.00 C ATOM 97 CG ARG A 6 -1.466 -15.072 0.077 1.00 0.00 C ATOM 98 CD ARG A 6 -0.904 -15.913 1.221 1.00 0.00 C ATOM 99 NE ARG A 6 -1.795 -15.939 2.383 1.00 0.00 N ATOM 100 CZ ARG A 6 -2.295 -17.052 2.927 1.00 0.00 C ATOM 101 NH1 ARG A 6 -2.015 -18.241 2.408 1.00 0.00 N ATOM 102 NH2 ARG A 6 -3.074 -16.970 3.995 1.00 0.00 N ATOM 0 H ARG A 6 -3.844 -13.232 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.494 -15.211 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.572 -15.374 0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.766 -16.680 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.760 -15.071 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.573 -14.038 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.737 -16.932 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.066 -15.515 1.519 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.051 -15.047 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.414 -18.310 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.401 -19.085 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.291 -16.059 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.457 -17.818 4.413 1.00 0.00 H new ATOM 116 N LYS A 7 -4.489 -16.438 -3.268 1.00 0.00 N ATOM 117 CA LYS A 7 -5.657 -17.100 -3.829 1.00 0.00 C ATOM 118 C LYS A 7 -5.917 -18.421 -3.118 1.00 0.00 C ATOM 119 O LYS A 7 -5.098 -19.343 -3.174 1.00 0.00 O ATOM 120 CB LYS A 7 -5.473 -17.340 -5.333 1.00 0.00 C ATOM 121 CG LYS A 7 -5.389 -16.062 -6.161 1.00 0.00 C ATOM 122 CD LYS A 7 -6.601 -15.159 -5.941 1.00 0.00 C ATOM 123 CE LYS A 7 -6.694 -14.068 -7.000 1.00 0.00 C ATOM 124 NZ LYS A 7 -7.008 -14.623 -8.343 1.00 0.00 N ATOM 0 H LYS A 7 -3.619 -16.630 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.518 -16.448 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.564 -17.922 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.304 -17.943 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.480 -15.520 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.315 -16.319 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.510 -15.760 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.539 -14.702 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.463 -13.350 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.751 -13.524 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.295 -14.300 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.000 -15.662 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.949 -14.296 -8.642 1.00 0.00 H new ATOM 138 N THR A 8 -7.056 -18.488 -2.444 1.00 0.00 N ATOM 139 CA THR A 8 -7.508 -19.683 -1.749 1.00 0.00 C ATOM 140 C THR A 8 -9.020 -19.572 -1.554 1.00 0.00 C ATOM 141 O THR A 8 -9.511 -18.513 -1.164 1.00 0.00 O ATOM 142 CB THR A 8 -6.797 -19.844 -0.378 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.373 -19.869 -0.561 1.00 0.00 O ATOM 144 CG2 THR A 8 -7.233 -21.120 0.330 1.00 0.00 C ATOM 0 H THR A 8 -7.701 -17.702 -2.364 1.00 0.00 H new ATOM 0 HA THR A 8 -7.262 -20.564 -2.342 1.00 0.00 H new ATOM 0 HB THR A 8 -7.078 -18.992 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.167 -20.039 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.716 -21.201 1.286 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.309 -21.092 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.987 -21.982 -0.290 1.00 0.00 H new ATOM 152 N ALA A 9 -9.749 -20.648 -1.846 1.00 0.00 N ATOM 153 CA ALA A 9 -11.216 -20.632 -1.841 1.00 0.00 C ATOM 154 C ALA A 9 -11.777 -20.038 -0.545 1.00 0.00 C ATOM 155 O ALA A 9 -12.250 -18.897 -0.526 1.00 0.00 O ATOM 156 CB ALA A 9 -11.758 -22.041 -2.065 1.00 0.00 C ATOM 0 H ALA A 9 -9.345 -21.552 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.543 -19.990 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.848 -22.017 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.408 -22.417 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.406 -22.697 -1.269 1.00 0.00 H new ATOM 162 N THR A 10 -11.712 -20.806 0.532 1.00 0.00 N ATOM 163 CA THR A 10 -12.204 -20.354 1.827 1.00 0.00 C ATOM 164 C THR A 10 -11.240 -19.337 2.444 1.00 0.00 C ATOM 165 O THR A 10 -11.654 -18.435 3.178 1.00 0.00 O ATOM 166 CB THR A 10 -12.389 -21.553 2.788 1.00 0.00 C ATOM 167 OG1 THR A 10 -13.235 -22.538 2.174 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.001 -21.118 4.118 1.00 0.00 C ATOM 0 H THR A 10 -11.322 -21.749 0.536 1.00 0.00 H new ATOM 0 HA THR A 10 -13.171 -19.874 1.673 1.00 0.00 H new ATOM 0 HB THR A 10 -11.405 -21.976 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.349 -23.297 2.784 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.116 -21.986 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.347 -20.390 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.977 -20.667 3.939 1.00 0.00 H new ATOM 176 N GLY A 11 -9.960 -19.468 2.109 1.00 0.00 N ATOM 177 CA GLY A 11 -8.935 -18.647 2.726 1.00 0.00 C ATOM 178 C GLY A 11 -8.462 -17.503 1.850 1.00 0.00 C ATOM 179 O GLY A 11 -7.261 -17.222 1.792 1.00 0.00 O ATOM 0 H GLY A 11 -9.613 -20.132 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.321 -18.241 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.082 -19.276 2.979 1.00 0.00 H new ATOM 183 N HIS A 12 -9.387 -16.843 1.149 1.00 0.00 N ATOM 184 CA HIS A 12 -9.045 -15.624 0.418 1.00 0.00 C ATOM 185 C HIS A 12 -8.498 -14.603 1.407 1.00 0.00 C ATOM 186 O HIS A 12 -9.212 -14.172 2.309 1.00 0.00 O ATOM 187 CB HIS A 12 -10.262 -15.036 -0.318 1.00 0.00 C ATOM 188 CG HIS A 12 -10.614 -15.735 -1.599 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.667 -16.620 -1.722 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.059 -15.649 -2.833 1.00 0.00 C ATOM 191 CE1 HIS A 12 -11.741 -17.044 -2.970 1.00 0.00 C ATOM 192 NE2 HIS A 12 -10.779 -16.471 -3.661 1.00 0.00 N ATOM 0 H HIS A 12 -10.364 -17.128 1.073 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.297 -15.870 -0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.124 -15.070 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.067 -13.986 -0.534 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -12.291 -16.902 -0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.208 -15.045 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.468 -17.742 -3.358 1.00 0.00 H new ATOM 201 N SER A 13 -7.235 -14.241 1.256 1.00 0.00 N ATOM 202 CA SER A 13 -6.574 -13.367 2.217 1.00 0.00 C ATOM 203 C SER A 13 -5.708 -12.324 1.516 1.00 0.00 C ATOM 204 O SER A 13 -5.209 -12.551 0.407 1.00 0.00 O ATOM 205 CB SER A 13 -5.736 -14.214 3.186 1.00 0.00 C ATOM 206 OG SER A 13 -4.974 -15.184 2.486 1.00 0.00 O ATOM 0 H SER A 13 -6.645 -14.537 0.478 1.00 0.00 H new ATOM 0 HA SER A 13 -7.335 -12.827 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.071 -13.567 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.392 -14.709 3.902 1.00 0.00 H new ATOM 0 HG SER A 13 -5.561 -15.912 2.194 1.00 0.00 H new ATOM 212 N ALA A 14 -5.553 -11.175 2.165 1.00 0.00 N ATOM 213 CA ALA A 14 -4.736 -10.086 1.646 1.00 0.00 C ATOM 214 C ALA A 14 -3.649 -9.727 2.651 1.00 0.00 C ATOM 215 O ALA A 14 -3.949 -9.289 3.764 1.00 0.00 O ATOM 216 CB ALA A 14 -5.611 -8.872 1.349 1.00 0.00 C ATOM 0 H ALA A 14 -5.990 -10.973 3.064 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.261 -10.407 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.992 -8.063 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.364 -9.139 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.103 -8.545 2.265 1.00 0.00 H new ATOM 222 N TYR A 15 -2.392 -9.932 2.266 1.00 0.00 N ATOM 223 CA TYR A 15 -1.262 -9.642 3.141 1.00 0.00 C ATOM 224 C TYR A 15 -0.678 -8.258 2.849 1.00 0.00 C ATOM 225 O TYR A 15 0.025 -8.063 1.854 1.00 0.00 O ATOM 226 CB TYR A 15 -0.173 -10.719 2.998 1.00 0.00 C ATOM 227 CG TYR A 15 1.096 -10.397 3.768 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.080 -10.273 5.155 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.304 -10.188 3.107 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.227 -9.961 5.856 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.454 -9.873 3.804 1.00 0.00 C ATOM 232 CZ TYR A 15 3.409 -9.758 5.177 1.00 0.00 C ATOM 233 OH TYR A 15 4.550 -9.431 5.873 1.00 0.00 O ATOM 0 H TYR A 15 -2.131 -10.299 1.351 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.628 -9.648 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.568 -11.674 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.072 -10.840 1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.155 -10.424 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.342 -10.274 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.199 -9.876 6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.383 -9.718 3.276 1.00 0.00 H new ATOM 0 HH TYR A 15 4.387 -9.533 6.834 1.00 0.00 H new ATOM 243 N VAL A 16 -0.988 -7.305 3.718 1.00 0.00 N ATOM 244 CA VAL A 16 -0.426 -5.961 3.643 1.00 0.00 C ATOM 245 C VAL A 16 0.983 -5.953 4.240 1.00 0.00 C ATOM 246 O VAL A 16 1.149 -5.946 5.461 1.00 0.00 O ATOM 247 CB VAL A 16 -1.316 -4.938 4.395 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.740 -3.528 4.288 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.752 -4.984 3.870 1.00 0.00 C ATOM 0 H VAL A 16 -1.635 -7.441 4.494 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.382 -5.671 2.593 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.331 -5.212 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.384 -2.830 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.259 -3.509 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.683 -3.237 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.360 -4.259 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.759 -4.743 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.162 -5.983 4.018 1.00 0.00 H new ATOM 259 N ALA A 17 1.990 -5.958 3.372 1.00 0.00 N ATOM 260 CA ALA A 17 3.384 -6.091 3.799 1.00 0.00 C ATOM 261 C ALA A 17 3.868 -4.877 4.593 1.00 0.00 C ATOM 262 O ALA A 17 4.610 -5.025 5.567 1.00 0.00 O ATOM 263 CB ALA A 17 4.284 -6.328 2.593 1.00 0.00 C ATOM 0 H ALA A 17 1.868 -5.871 2.363 1.00 0.00 H new ATOM 0 HA ALA A 17 3.437 -6.952 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.318 -6.425 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.978 -7.243 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.201 -5.486 1.906 1.00 0.00 H new ATOM 269 N LYS A 18 3.426 -3.685 4.194 1.00 0.00 N ATOM 270 CA LYS A 18 3.894 -2.438 4.818 1.00 0.00 C ATOM 271 C LYS A 18 3.404 -2.299 6.264 1.00 0.00 C ATOM 272 O LYS A 18 3.742 -1.334 6.951 1.00 0.00 O ATOM 273 CB LYS A 18 3.476 -1.215 3.968 1.00 0.00 C ATOM 274 CG LYS A 18 1.972 -1.074 3.704 1.00 0.00 C ATOM 275 CD LYS A 18 1.189 -0.491 4.892 1.00 0.00 C ATOM 276 CE LYS A 18 1.539 0.972 5.184 1.00 0.00 C ATOM 277 NZ LYS A 18 2.876 1.133 5.826 1.00 0.00 N ATOM 0 H LYS A 18 2.747 -3.552 3.445 1.00 0.00 H new ATOM 0 HA LYS A 18 4.983 -2.478 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.825 -0.311 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.992 -1.268 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.823 -0.435 2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.562 -2.053 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.121 -0.569 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.389 -1.090 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.518 1.538 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.776 1.400 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.806 1.816 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.196 0.215 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.559 1.480 5.123 1.00 0.00 H new ATOM 291 N LYS A 19 2.586 -3.251 6.703 1.00 0.00 N ATOM 292 CA LYS A 19 2.095 -3.283 8.083 1.00 0.00 C ATOM 293 C LYS A 19 2.274 -4.694 8.668 1.00 0.00 C ATOM 294 O LYS A 19 2.264 -4.883 9.886 1.00 0.00 O ATOM 295 CB LYS A 19 0.607 -2.853 8.099 1.00 0.00 C ATOM 296 CG LYS A 19 0.064 -2.389 9.458 1.00 0.00 C ATOM 297 CD LYS A 19 -0.280 -3.548 10.394 1.00 0.00 C ATOM 298 CE LYS A 19 -0.828 -3.058 11.729 1.00 0.00 C ATOM 299 NZ LYS A 19 0.129 -2.162 12.429 1.00 0.00 N ATOM 0 H LYS A 19 2.246 -4.017 6.121 1.00 0.00 H new ATOM 0 HA LYS A 19 2.666 -2.590 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.473 -2.045 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.002 -3.691 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.804 -1.749 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.827 -1.782 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.015 -4.195 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.611 -4.151 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.766 -2.528 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.054 -3.914 12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.186 -2.015 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.074 -2.597 12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.170 -1.246 11.938 1.00 0.00 H new ATOM 313 N ASP A 20 2.486 -5.674 7.783 1.00 0.00 N ATOM 314 CA ASP A 20 2.478 -7.088 8.156 1.00 0.00 C ATOM 315 C ASP A 20 1.118 -7.444 8.753 1.00 0.00 C ATOM 316 O ASP A 20 0.997 -7.814 9.922 1.00 0.00 O ATOM 317 CB ASP A 20 3.628 -7.435 9.122 1.00 0.00 C ATOM 318 CG ASP A 20 3.652 -8.912 9.501 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.030 -9.745 8.651 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.285 -9.251 10.647 1.00 0.00 O ATOM 0 H ASP A 20 2.667 -5.508 6.793 1.00 0.00 H new ATOM 0 HA ASP A 20 2.641 -7.686 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.578 -7.167 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.532 -6.834 10.026 1.00 0.00 H new ATOM 325 N LEU A 21 0.085 -7.275 7.936 1.00 0.00 N ATOM 326 CA LEU A 21 -1.289 -7.545 8.343 1.00 0.00 C ATOM 327 C LEU A 21 -1.967 -8.384 7.271 1.00 0.00 C ATOM 328 O LEU A 21 -2.067 -7.961 6.122 1.00 0.00 O ATOM 329 CB LEU A 21 -2.038 -6.211 8.556 1.00 0.00 C ATOM 330 CG LEU A 21 -3.455 -6.293 9.175 1.00 0.00 C ATOM 331 CD1 LEU A 21 -3.891 -4.925 9.690 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.484 -6.818 8.172 1.00 0.00 C ATOM 0 H LEU A 21 0.176 -6.947 6.974 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.302 -8.097 9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.425 -5.576 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.118 -5.709 7.592 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.405 -6.996 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.889 -5.000 10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.191 -4.583 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.905 -4.213 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.465 -6.860 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.525 -6.151 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.196 -7.817 7.844 1.00 0.00 H new ATOM 344 N GLU A 22 -2.420 -9.572 7.644 1.00 0.00 N ATOM 345 CA GLU A 22 -3.152 -10.438 6.731 1.00 0.00 C ATOM 346 C GLU A 22 -4.462 -10.871 7.373 1.00 0.00 C ATOM 347 O GLU A 22 -4.464 -11.487 8.442 1.00 0.00 O ATOM 348 CB GLU A 22 -2.327 -11.674 6.353 1.00 0.00 C ATOM 349 CG GLU A 22 -3.000 -12.549 5.300 1.00 0.00 C ATOM 350 CD GLU A 22 -2.288 -13.871 5.084 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.298 -13.907 4.327 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.720 -14.885 5.674 1.00 0.00 O ATOM 0 H GLU A 22 -2.292 -9.960 8.579 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.356 -9.875 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.354 -11.353 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.146 -12.269 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.030 -12.742 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.040 -12.006 4.356 1.00 0.00 H new ATOM 359 N GLU A 23 -5.567 -10.549 6.721 1.00 0.00 N ATOM 360 CA GLU A 23 -6.887 -10.933 7.201 1.00 0.00 C ATOM 361 C GLU A 23 -7.675 -11.581 6.067 1.00 0.00 C ATOM 362 O GLU A 23 -7.319 -11.438 4.892 1.00 0.00 O ATOM 363 CB GLU A 23 -7.635 -9.707 7.752 1.00 0.00 C ATOM 364 CG GLU A 23 -8.957 -10.029 8.447 1.00 0.00 C ATOM 365 CD GLU A 23 -8.796 -10.967 9.633 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.770 -12.199 9.423 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.713 -10.478 10.779 1.00 0.00 O ATOM 0 H GLU A 23 -5.577 -10.018 5.850 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.778 -11.654 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.986 -9.188 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.830 -9.017 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.418 -9.101 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.639 -10.479 7.726 1.00 0.00 H new ATOM 374 N LEU A 24 -8.730 -12.300 6.422 1.00 0.00 N ATOM 375 CA LEU A 24 -9.569 -12.967 5.436 1.00 0.00 C ATOM 376 C LEU A 24 -10.499 -11.969 4.749 1.00 0.00 C ATOM 377 O LEU A 24 -11.126 -11.131 5.400 1.00 0.00 O ATOM 378 CB LEU A 24 -10.387 -14.087 6.092 1.00 0.00 C ATOM 379 CG LEU A 24 -9.560 -15.247 6.673 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.471 -16.301 7.297 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.672 -15.873 5.598 1.00 0.00 C ATOM 0 H LEU A 24 -9.026 -12.437 7.388 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.917 -13.407 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.989 -13.655 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.080 -14.490 5.353 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.916 -14.844 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.865 -17.112 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.054 -15.849 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.145 -16.696 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.097 -16.691 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.295 -16.256 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.990 -15.119 5.205 1.00 0.00 H new ATOM 393 N ILE A 25 -10.563 -12.064 3.429 1.00 0.00 N ATOM 394 CA ILE A 25 -11.451 -11.242 2.624 1.00 0.00 C ATOM 395 C ILE A 25 -12.861 -11.830 2.652 1.00 0.00 C ATOM 396 O ILE A 25 -13.135 -12.839 1.998 1.00 0.00 O ATOM 397 CB ILE A 25 -10.950 -11.167 1.160 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.530 -10.570 1.107 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.915 -10.356 0.298 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.924 -10.541 -0.282 1.00 0.00 C ATOM 0 H ILE A 25 -9.998 -12.716 2.885 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.464 -10.235 3.040 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.910 -12.179 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.559 -9.554 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.880 -11.148 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.543 -10.317 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.897 -10.828 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.994 -9.344 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.925 -10.107 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.860 -11.557 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.550 -9.938 -0.940 1.00 0.00 H new ATOM 412 N VAL A 26 -13.744 -11.211 3.428 1.00 0.00 N ATOM 413 CA VAL A 26 -15.114 -11.703 3.592 1.00 0.00 C ATOM 414 C VAL A 26 -16.106 -10.844 2.813 1.00 0.00 C ATOM 415 O VAL A 26 -17.310 -11.109 2.811 1.00 0.00 O ATOM 416 CB VAL A 26 -15.521 -11.730 5.084 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.580 -12.635 5.879 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.546 -10.315 5.666 1.00 0.00 C ATOM 0 H VAL A 26 -13.538 -10.364 3.957 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.139 -12.719 3.198 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.529 -12.139 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.881 -12.642 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.627 -13.649 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.560 -12.260 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.835 -10.359 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.555 -9.869 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -16.266 -9.708 5.117 1.00 0.00 H new ATOM 428 N GLU A 27 -15.590 -9.815 2.154 1.00 0.00 N ATOM 429 CA GLU A 27 -16.414 -8.879 1.401 1.00 0.00 C ATOM 430 C GLU A 27 -15.642 -8.364 0.190 1.00 0.00 C ATOM 431 O GLU A 27 -14.454 -8.051 0.293 1.00 0.00 O ATOM 432 CB GLU A 27 -16.826 -7.712 2.308 1.00 0.00 C ATOM 433 CG GLU A 27 -17.696 -6.655 1.633 1.00 0.00 C ATOM 434 CD GLU A 27 -19.043 -7.201 1.197 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.129 -7.759 0.085 1.00 0.00 O ATOM 436 OE2 GLU A 27 -20.021 -7.078 1.968 1.00 0.00 O ATOM 0 H GLU A 27 -14.592 -9.606 2.126 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.312 -9.388 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.364 -8.111 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.925 -7.231 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.850 -5.823 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.171 -6.257 0.765 1.00 0.00 H new ATOM 443 N MET A 28 -16.321 -8.273 -0.949 1.00 0.00 N ATOM 444 CA MET A 28 -15.694 -7.859 -2.206 1.00 0.00 C ATOM 445 C MET A 28 -16.631 -6.929 -2.973 1.00 0.00 C ATOM 446 O MET A 28 -17.839 -7.170 -3.022 1.00 0.00 O ATOM 447 CB MET A 28 -15.368 -9.087 -3.074 1.00 0.00 C ATOM 448 CG MET A 28 -14.408 -10.083 -2.432 1.00 0.00 C ATOM 449 SD MET A 28 -14.185 -11.572 -3.426 1.00 0.00 S ATOM 450 CE MET A 28 -13.094 -12.533 -2.380 1.00 0.00 C ATOM 0 H MET A 28 -17.316 -8.482 -1.030 1.00 0.00 H new ATOM 0 HA MET A 28 -14.768 -7.333 -1.974 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.298 -9.602 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.940 -8.746 -4.016 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.441 -9.604 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.784 -10.361 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 28 -12.741 -13.406 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 28 -12.242 -11.921 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 28 -13.635 -12.857 -1.491 1.00 0.00 H new ATOM 460 N GLU A 29 -16.085 -5.865 -3.561 1.00 0.00 N ATOM 461 CA GLU A 29 -16.891 -4.946 -4.363 1.00 0.00 C ATOM 462 C GLU A 29 -17.412 -5.675 -5.604 1.00 0.00 C ATOM 463 O GLU A 29 -18.590 -5.570 -5.954 1.00 0.00 O ATOM 464 CB GLU A 29 -16.077 -3.703 -4.758 1.00 0.00 C ATOM 465 CG GLU A 29 -16.917 -2.597 -5.388 1.00 0.00 C ATOM 466 CD GLU A 29 -16.125 -1.325 -5.660 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.753 -0.634 -4.687 1.00 0.00 O ATOM 468 OE2 GLU A 29 -15.897 -0.996 -6.841 1.00 0.00 O ATOM 0 H GLU A 29 -15.097 -5.620 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.739 -4.607 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.578 -3.309 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.296 -3.998 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.342 -2.960 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -17.753 -2.363 -4.728 1.00 0.00 H new ATOM 475 N ASN A 30 -16.520 -6.415 -6.258 1.00 0.00 N ATOM 476 CA ASN A 30 -16.890 -7.321 -7.348 1.00 0.00 C ATOM 477 C ASN A 30 -16.911 -8.755 -6.820 1.00 0.00 C ATOM 478 O ASN A 30 -16.073 -9.114 -5.999 1.00 0.00 O ATOM 479 CB ASN A 30 -15.897 -7.210 -8.523 1.00 0.00 C ATOM 480 CG ASN A 30 -16.127 -5.991 -9.410 1.00 0.00 C ATOM 481 OD1 ASN A 30 -16.608 -4.899 -8.834 1.00 0.00 O flip ATOM 482 ND2 ASN A 30 -15.860 -6.033 -10.613 1.00 0.00 N flip ATOM 0 H ASN A 30 -15.522 -6.405 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.878 -7.044 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.882 -7.173 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.968 -8.110 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.491 -6.891 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.008 -5.210 -11.197 1.00 0.00 H new ATOM 489 N PRO A 31 -17.851 -9.598 -7.297 1.00 0.00 N ATOM 490 CA PRO A 31 -18.047 -10.963 -6.768 1.00 0.00 C ATOM 491 C PRO A 31 -16.804 -11.847 -6.909 1.00 0.00 C ATOM 492 O PRO A 31 -16.659 -12.846 -6.200 1.00 0.00 O ATOM 493 CB PRO A 31 -19.207 -11.516 -7.616 1.00 0.00 C ATOM 494 CG PRO A 31 -19.212 -10.673 -8.846 1.00 0.00 C ATOM 495 CD PRO A 31 -18.791 -9.302 -8.392 1.00 0.00 C ATOM 0 HA PRO A 31 -18.251 -10.950 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.055 -12.568 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.156 -11.445 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.525 -11.067 -9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.202 -10.649 -9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.314 -8.739 -9.194 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.640 -8.711 -8.048 1.00 0.00 H new ATOM 503 N ALA A 32 -15.920 -11.488 -7.835 1.00 0.00 N ATOM 504 CA ALA A 32 -14.684 -12.237 -8.037 1.00 0.00 C ATOM 505 C ALA A 32 -13.689 -11.936 -6.925 1.00 0.00 C ATOM 506 O ALA A 32 -13.400 -12.796 -6.089 1.00 0.00 O ATOM 507 CB ALA A 32 -14.074 -11.909 -9.393 1.00 0.00 C ATOM 0 H ALA A 32 -16.036 -10.686 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.922 -13.300 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.153 -12.477 -9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.779 -12.172 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.853 -10.843 -9.444 1.00 0.00 H new ATOM 513 N LEU A 33 -13.185 -10.701 -6.927 1.00 0.00 N ATOM 514 CA LEU A 33 -12.177 -10.248 -5.971 1.00 0.00 C ATOM 515 C LEU A 33 -11.683 -8.872 -6.408 1.00 0.00 C ATOM 516 O LEU A 33 -11.822 -7.882 -5.689 1.00 0.00 O ATOM 517 CB LEU A 33 -10.994 -11.242 -5.911 1.00 0.00 C ATOM 518 CG LEU A 33 -10.166 -11.240 -4.605 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.172 -12.398 -4.601 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.432 -9.913 -4.404 1.00 0.00 C ATOM 0 H LEU A 33 -13.467 -9.984 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.617 -10.192 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.383 -12.248 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.323 -11.026 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.862 -11.365 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.598 -12.381 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.712 -13.342 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.495 -12.299 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.861 -9.950 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.754 -9.742 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.157 -9.101 -4.352 1.00 0.00 H new ATOM 532 N TRP A 34 -11.122 -8.829 -7.612 1.00 0.00 N ATOM 533 CA TRP A 34 -10.564 -7.607 -8.174 1.00 0.00 C ATOM 534 C TRP A 34 -11.657 -6.802 -8.863 1.00 0.00 C ATOM 535 O TRP A 34 -12.404 -7.334 -9.690 1.00 0.00 O ATOM 536 CB TRP A 34 -9.446 -7.957 -9.165 1.00 0.00 C ATOM 537 CG TRP A 34 -8.362 -8.792 -8.545 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.406 -10.133 -8.284 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.079 -8.342 -8.100 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.234 -10.539 -7.703 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.403 -9.461 -7.580 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.435 -7.101 -8.090 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.121 -9.377 -7.057 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.161 -7.019 -7.568 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.514 -8.152 -7.059 1.00 0.00 C ATOM 0 H TRP A 34 -11.042 -9.641 -8.224 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.144 -7.000 -7.371 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.872 -8.494 -10.013 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.012 -7.037 -9.556 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.243 -10.779 -8.504 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.017 -11.491 -7.410 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.926 -6.223 -8.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.620 -10.249 -6.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.654 -6.066 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.515 -8.056 -6.660 1.00 0.00 H new ATOM 556 N GLY A 35 -11.750 -5.526 -8.513 1.00 0.00 N ATOM 557 CA GLY A 35 -12.783 -4.670 -9.063 1.00 0.00 C ATOM 558 C GLY A 35 -13.218 -3.610 -8.075 1.00 0.00 C ATOM 559 O GLY A 35 -14.406 -3.454 -7.797 1.00 0.00 O ATOM 0 H GLY A 35 -11.123 -5.066 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.414 -4.192 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.643 -5.276 -9.349 1.00 0.00 H new ATOM 563 N GLY A 36 -12.242 -2.905 -7.517 1.00 0.00 N ATOM 564 CA GLY A 36 -12.519 -1.802 -6.621 1.00 0.00 C ATOM 565 C GLY A 36 -11.881 -1.999 -5.270 1.00 0.00 C ATOM 566 O GLY A 36 -10.708 -1.685 -5.089 1.00 0.00 O ATOM 0 H GLY A 36 -11.250 -3.082 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.153 -0.875 -7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.597 -1.694 -6.501 1.00 0.00 H new ATOM 570 N LYS A 37 -12.636 -2.534 -4.319 1.00 0.00 N ATOM 571 CA LYS A 37 -12.121 -2.743 -2.972 1.00 0.00 C ATOM 572 C LYS A 37 -12.685 -4.020 -2.363 1.00 0.00 C ATOM 573 O LYS A 37 -13.749 -4.500 -2.762 1.00 0.00 O ATOM 574 CB LYS A 37 -12.447 -1.523 -2.085 1.00 0.00 C ATOM 575 CG LYS A 37 -13.939 -1.322 -1.782 1.00 0.00 C ATOM 576 CD LYS A 37 -14.377 -2.046 -0.506 1.00 0.00 C ATOM 577 CE LYS A 37 -15.878 -1.929 -0.268 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.278 -2.537 1.028 1.00 0.00 N ATOM 0 H LYS A 37 -13.603 -2.830 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.038 -2.854 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.910 -1.625 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.067 -0.626 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.146 -0.257 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.530 -1.684 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.102 -3.099 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.841 -1.631 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.168 -0.878 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.415 -2.419 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.266 -2.856 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.663 -3.350 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.185 -1.831 1.786 1.00 0.00 H new ATOM 592 N VAL A 38 -11.956 -4.566 -1.400 1.00 0.00 N ATOM 593 CA VAL A 38 -12.421 -5.696 -0.607 1.00 0.00 C ATOM 594 C VAL A 38 -12.326 -5.332 0.870 1.00 0.00 C ATOM 595 O VAL A 38 -11.465 -4.539 1.261 1.00 0.00 O ATOM 596 CB VAL A 38 -11.595 -6.983 -0.876 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.614 -7.345 -2.360 1.00 0.00 C ATOM 598 CG2 VAL A 38 -10.160 -6.835 -0.364 1.00 0.00 C ATOM 0 H VAL A 38 -11.024 -4.238 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.452 -5.906 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.061 -7.800 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.028 -8.250 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.642 -7.516 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.185 -6.527 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.605 -7.751 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.677 -5.999 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.174 -6.649 0.710 1.00 0.00 H new ATOM 608 N THR A 39 -13.212 -5.884 1.684 1.00 0.00 N ATOM 609 CA THR A 39 -13.203 -5.606 3.110 1.00 0.00 C ATOM 610 C THR A 39 -12.753 -6.841 3.887 1.00 0.00 C ATOM 611 O THR A 39 -13.352 -7.917 3.778 1.00 0.00 O ATOM 612 CB THR A 39 -14.591 -5.143 3.611 1.00 0.00 C ATOM 613 OG1 THR A 39 -15.086 -4.083 2.775 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.525 -4.659 5.059 1.00 0.00 C ATOM 0 H THR A 39 -13.945 -6.526 1.382 1.00 0.00 H new ATOM 0 HA THR A 39 -12.497 -4.794 3.282 1.00 0.00 H new ATOM 0 HB THR A 39 -15.266 -5.997 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.758 -3.566 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.516 -4.340 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.179 -5.471 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.833 -3.820 5.131 1.00 0.00 H new ATOM 622 N LEU A 40 -11.673 -6.679 4.641 1.00 0.00 N ATOM 623 CA LEU A 40 -11.146 -7.733 5.492 1.00 0.00 C ATOM 624 C LEU A 40 -12.130 -8.026 6.624 1.00 0.00 C ATOM 625 O LEU A 40 -12.935 -7.169 6.995 1.00 0.00 O ATOM 626 CB LEU A 40 -9.773 -7.337 6.065 1.00 0.00 C ATOM 627 CG LEU A 40 -8.616 -7.215 5.047 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.507 -8.470 4.186 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.767 -5.970 4.175 1.00 0.00 C ATOM 0 H LEU A 40 -11.139 -5.811 4.678 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.015 -8.633 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.879 -6.381 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.491 -8.074 6.817 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.691 -7.112 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.685 -8.356 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.320 -9.334 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.438 -8.618 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.937 -5.916 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.706 -6.023 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.766 -5.081 4.806 1.00 0.00 H new ATOM 641 N ALA A 41 -12.037 -9.229 7.181 1.00 0.00 N ATOM 642 CA ALA A 41 -13.007 -9.722 8.162 1.00 0.00 C ATOM 643 C ALA A 41 -13.205 -8.773 9.351 1.00 0.00 C ATOM 644 O ALA A 41 -14.285 -8.740 9.940 1.00 0.00 O ATOM 645 CB ALA A 41 -12.592 -11.106 8.651 1.00 0.00 C ATOM 0 H ALA A 41 -11.291 -9.891 6.968 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.969 -9.779 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.317 -11.467 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.554 -11.794 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.608 -11.048 9.116 1.00 0.00 H new ATOM 651 N ASN A 42 -12.177 -7.997 9.696 1.00 0.00 N ATOM 652 CA ASN A 42 -12.234 -7.150 10.897 1.00 0.00 C ATOM 653 C ASN A 42 -12.667 -5.716 10.570 1.00 0.00 C ATOM 654 O ASN A 42 -12.716 -4.861 11.456 1.00 0.00 O ATOM 655 CB ASN A 42 -10.876 -7.138 11.614 1.00 0.00 C ATOM 656 CG ASN A 42 -10.960 -6.542 13.016 1.00 0.00 C ATOM 657 OD1 ASN A 42 -11.983 -6.648 13.695 1.00 0.00 O ATOM 658 ND2 ASN A 42 -9.888 -5.911 13.462 1.00 0.00 N ATOM 0 H ASN A 42 -11.304 -7.934 9.172 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.986 -7.581 11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.494 -8.157 11.678 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.161 -6.566 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.892 -5.494 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.057 -5.841 12.875 1.00 0.00 H new ATOM 665 N GLY A 43 -12.971 -5.446 9.305 1.00 0.00 N ATOM 666 CA GLY A 43 -13.487 -4.134 8.929 1.00 0.00 C ATOM 667 C GLY A 43 -12.518 -3.316 8.097 1.00 0.00 C ATOM 668 O GLY A 43 -12.906 -2.303 7.506 1.00 0.00 O ATOM 0 H GLY A 43 -12.871 -6.106 8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.413 -4.264 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.736 -3.578 9.833 1.00 0.00 H new ATOM 672 N TRP A 44 -11.252 -3.732 8.062 1.00 0.00 N ATOM 673 CA TRP A 44 -10.256 -3.072 7.221 1.00 0.00 C ATOM 674 C TRP A 44 -10.657 -3.203 5.753 1.00 0.00 C ATOM 675 O TRP A 44 -11.284 -4.186 5.372 1.00 0.00 O ATOM 676 CB TRP A 44 -8.864 -3.689 7.427 1.00 0.00 C ATOM 677 CG TRP A 44 -8.353 -3.605 8.837 1.00 0.00 C ATOM 678 CD1 TRP A 44 -8.158 -2.473 9.576 1.00 0.00 C ATOM 679 CD2 TRP A 44 -7.942 -4.700 9.667 1.00 0.00 C ATOM 680 NE1 TRP A 44 -7.664 -2.798 10.815 1.00 0.00 N ATOM 681 CE2 TRP A 44 -7.519 -4.157 10.894 1.00 0.00 C ATOM 682 CE3 TRP A 44 -7.891 -6.087 9.490 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -7.052 -4.952 11.939 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -7.429 -6.875 10.529 1.00 0.00 C ATOM 685 CH2 TRP A 44 -7.014 -6.306 11.740 1.00 0.00 C ATOM 0 H TRP A 44 -10.894 -4.519 8.604 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.213 -2.020 7.503 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.896 -4.736 7.126 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.156 -3.189 6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.363 -1.469 9.235 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.441 -2.134 11.557 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -8.207 -6.534 8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.731 -4.515 12.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.388 -7.947 10.404 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.657 -6.948 12.532 1.00 0.00 H new ATOM 696 N GLN A 45 -10.315 -2.216 4.934 1.00 0.00 N ATOM 697 CA GLN A 45 -10.608 -2.278 3.503 1.00 0.00 C ATOM 698 C GLN A 45 -9.334 -2.072 2.691 1.00 0.00 C ATOM 699 O GLN A 45 -8.446 -1.317 3.093 1.00 0.00 O ATOM 700 CB GLN A 45 -11.656 -1.228 3.105 1.00 0.00 C ATOM 701 CG GLN A 45 -12.911 -1.246 3.969 1.00 0.00 C ATOM 702 CD GLN A 45 -14.006 -0.340 3.434 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.886 -0.780 2.689 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.942 0.937 3.779 1.00 0.00 N ATOM 0 H GLN A 45 -9.837 -1.366 5.232 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.014 -3.267 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.203 -0.238 3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.941 -1.390 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.289 -2.267 4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.654 -0.938 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.199 1.262 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.636 1.596 3.426 1.00 0.00 H new ATOM 713 N LEU A 46 -9.259 -2.750 1.554 1.00 0.00 N ATOM 714 CA LEU A 46 -8.118 -2.655 0.649 1.00 0.00 C ATOM 715 C LEU A 46 -8.623 -2.448 -0.776 1.00 0.00 C ATOM 716 O LEU A 46 -9.613 -3.059 -1.174 1.00 0.00 O ATOM 717 CB LEU A 46 -7.274 -3.937 0.731 1.00 0.00 C ATOM 718 CG LEU A 46 -6.014 -3.960 -0.152 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.000 -2.920 0.316 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.397 -5.356 -0.168 1.00 0.00 C ATOM 0 H LEU A 46 -9.990 -3.384 1.231 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.494 -1.809 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.972 -4.087 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.904 -4.784 0.457 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.306 -3.705 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.119 -2.957 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.446 -1.927 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.710 -3.132 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.507 -5.353 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.123 -5.644 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.120 -6.069 -0.565 1.00 0.00 H new ATOM 732 N GLU A 47 -7.951 -1.587 -1.531 1.00 0.00 N ATOM 733 CA GLU A 47 -8.370 -1.270 -2.895 1.00 0.00 C ATOM 734 C GLU A 47 -7.648 -2.163 -3.910 1.00 0.00 C ATOM 735 O GLU A 47 -6.419 -2.137 -4.007 1.00 0.00 O ATOM 736 CB GLU A 47 -8.098 0.209 -3.202 1.00 0.00 C ATOM 737 CG GLU A 47 -8.675 0.673 -4.535 1.00 0.00 C ATOM 738 CD GLU A 47 -8.421 2.144 -4.814 1.00 0.00 C ATOM 739 OE1 GLU A 47 -9.229 2.989 -4.376 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.418 2.461 -5.489 1.00 0.00 O ATOM 0 H GLU A 47 -7.113 -1.094 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.441 -1.458 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.516 0.820 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.021 0.379 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.242 0.077 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.749 0.488 -4.543 1.00 0.00 H new ATOM 747 N LEU A 48 -8.423 -2.961 -4.647 1.00 0.00 N ATOM 748 CA LEU A 48 -7.882 -3.836 -5.690 1.00 0.00 C ATOM 749 C LEU A 48 -8.510 -3.498 -7.040 1.00 0.00 C ATOM 750 O LEU A 48 -9.681 -3.809 -7.275 1.00 0.00 O ATOM 751 CB LEU A 48 -8.139 -5.327 -5.384 1.00 0.00 C ATOM 752 CG LEU A 48 -7.484 -5.893 -4.112 1.00 0.00 C ATOM 753 CD1 LEU A 48 -5.993 -5.566 -4.068 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.195 -5.381 -2.868 1.00 0.00 C ATOM 0 H LEU A 48 -9.436 -3.019 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.805 -3.669 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.216 -5.478 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.793 -5.914 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.583 -6.978 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.557 -5.978 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.499 -6.001 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.857 -4.485 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.716 -5.793 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.139 -4.293 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.240 -5.690 -2.893 1.00 0.00 H new ATOM 766 N PRO A 49 -7.745 -2.868 -7.950 1.00 0.00 N ATOM 767 CA PRO A 49 -8.245 -2.506 -9.279 1.00 0.00 C ATOM 768 C PRO A 49 -8.535 -3.753 -10.114 1.00 0.00 C ATOM 769 O PRO A 49 -7.971 -4.822 -9.861 1.00 0.00 O ATOM 770 CB PRO A 49 -7.096 -1.680 -9.896 1.00 0.00 C ATOM 771 CG PRO A 49 -6.189 -1.349 -8.753 1.00 0.00 C ATOM 772 CD PRO A 49 -6.335 -2.483 -7.779 1.00 0.00 C ATOM 0 HA PRO A 49 -9.183 -1.953 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.571 -2.249 -10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.474 -0.776 -10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.156 -1.251 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.467 -0.400 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.659 -3.306 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.120 -2.171 -6.757 1.00 0.00 H new ATOM 780 N ALA A 50 -9.415 -3.620 -11.102 1.00 0.00 N ATOM 781 CA ALA A 50 -9.757 -4.737 -11.974 1.00 0.00 C ATOM 782 C ALA A 50 -8.587 -5.051 -12.906 1.00 0.00 C ATOM 783 O ALA A 50 -8.608 -4.707 -14.090 1.00 0.00 O ATOM 784 CB ALA A 50 -11.028 -4.435 -12.767 1.00 0.00 C ATOM 0 H ALA A 50 -9.903 -2.751 -11.318 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.952 -5.616 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.265 -5.282 -13.411 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.854 -4.261 -12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.873 -3.546 -13.379 1.00 0.00 H new ATOM 790 N MET A 51 -7.550 -5.666 -12.346 1.00 0.00 N ATOM 791 CA MET A 51 -6.337 -5.989 -13.095 1.00 0.00 C ATOM 792 C MET A 51 -6.469 -7.370 -13.724 1.00 0.00 C ATOM 793 O MET A 51 -6.510 -7.510 -14.948 1.00 0.00 O ATOM 794 CB MET A 51 -5.107 -5.945 -12.173 1.00 0.00 C ATOM 795 CG MET A 51 -4.834 -4.573 -11.566 1.00 0.00 C ATOM 796 SD MET A 51 -4.439 -3.323 -12.807 1.00 0.00 S ATOM 797 CE MET A 51 -2.910 -3.971 -13.482 1.00 0.00 C ATOM 0 H MET A 51 -7.525 -5.953 -11.368 1.00 0.00 H new ATOM 0 HA MET A 51 -6.205 -5.248 -13.883 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.244 -6.666 -11.367 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.231 -6.261 -12.739 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.708 -4.252 -10.999 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.007 -4.651 -10.860 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.374 -3.175 -13.999 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.291 -4.360 -12.673 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.134 -4.773 -14.185 1.00 0.00 H new ATOM 807 N ALA A 52 -6.546 -8.382 -12.867 1.00 0.00 N ATOM 808 CA ALA A 52 -6.714 -9.763 -13.298 1.00 0.00 C ATOM 809 C ALA A 52 -7.348 -10.576 -12.177 1.00 0.00 C ATOM 810 O ALA A 52 -6.685 -10.918 -11.195 1.00 0.00 O ATOM 811 CB ALA A 52 -5.375 -10.365 -13.710 1.00 0.00 C ATOM 0 H ALA A 52 -6.494 -8.267 -11.855 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.372 -9.785 -14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.523 -11.397 -14.029 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.954 -9.788 -14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.689 -10.341 -12.863 1.00 0.00 H new ATOM 817 N ALA A 53 -8.640 -10.850 -12.311 1.00 0.00 N ATOM 818 CA ALA A 53 -9.382 -11.599 -11.304 1.00 0.00 C ATOM 819 C ALA A 53 -8.870 -13.032 -11.206 1.00 0.00 C ATOM 820 O ALA A 53 -8.775 -13.594 -10.111 1.00 0.00 O ATOM 821 CB ALA A 53 -10.874 -11.583 -11.622 1.00 0.00 C ATOM 0 H ALA A 53 -9.199 -10.562 -13.114 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.228 -11.118 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.414 -12.146 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.232 -10.554 -11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.043 -12.038 -12.598 1.00 0.00 H new ATOM 827 N ASP A 54 -8.520 -13.601 -12.359 1.00 0.00 N ATOM 828 CA ASP A 54 -8.048 -14.982 -12.434 1.00 0.00 C ATOM 829 C ASP A 54 -6.827 -15.199 -11.535 1.00 0.00 C ATOM 830 O ASP A 54 -6.941 -15.878 -10.514 1.00 0.00 O ATOM 831 CB ASP A 54 -7.751 -15.383 -13.895 1.00 0.00 C ATOM 832 CG ASP A 54 -6.807 -14.424 -14.608 1.00 0.00 C ATOM 833 OD1 ASP A 54 -7.271 -13.363 -15.074 1.00 0.00 O ATOM 834 OD2 ASP A 54 -5.596 -14.721 -14.693 1.00 0.00 O ATOM 0 H ASP A 54 -8.555 -13.123 -13.259 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.843 -15.631 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.318 -16.383 -13.908 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.689 -15.434 -14.447 1.00 0.00 H new ATOM 839 N THR A 55 -5.684 -14.602 -11.909 1.00 0.00 N ATOM 840 CA THR A 55 -4.430 -14.679 -11.142 1.00 0.00 C ATOM 841 C THR A 55 -4.310 -15.968 -10.309 1.00 0.00 C ATOM 842 O THR A 55 -4.690 -15.997 -9.138 1.00 0.00 O ATOM 843 CB THR A 55 -4.249 -13.434 -10.233 1.00 0.00 C ATOM 844 OG1 THR A 55 -5.513 -13.029 -9.685 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.632 -12.269 -11.006 1.00 0.00 C ATOM 0 H THR A 55 -5.604 -14.047 -12.761 1.00 0.00 H new ATOM 0 HA THR A 55 -3.629 -14.700 -11.880 1.00 0.00 H new ATOM 0 HB THR A 55 -3.573 -13.710 -9.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.887 -12.303 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.518 -11.412 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.655 -12.564 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.282 -11.999 -11.838 1.00 0.00 H new ATOM 853 N PRO A 56 -3.785 -17.054 -10.912 1.00 0.00 N ATOM 854 CA PRO A 56 -3.661 -18.361 -10.245 1.00 0.00 C ATOM 855 C PRO A 56 -2.473 -18.425 -9.278 1.00 0.00 C ATOM 856 O PRO A 56 -2.076 -19.506 -8.835 1.00 0.00 O ATOM 857 CB PRO A 56 -3.450 -19.314 -11.424 1.00 0.00 C ATOM 858 CG PRO A 56 -2.705 -18.489 -12.416 1.00 0.00 C ATOM 859 CD PRO A 56 -3.281 -17.101 -12.302 1.00 0.00 C ATOM 0 HA PRO A 56 -4.527 -18.594 -9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.881 -20.196 -11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.399 -19.667 -11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.636 -18.489 -12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.828 -18.883 -13.425 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.526 -16.336 -12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.080 -16.936 -13.025 1.00 0.00 H new ATOM 867 N LEU A 57 -1.912 -17.264 -8.962 1.00 0.00 N ATOM 868 CA LEU A 57 -0.771 -17.168 -8.054 1.00 0.00 C ATOM 869 C LEU A 57 -0.916 -15.932 -7.167 1.00 0.00 C ATOM 870 O LEU A 57 -1.572 -14.961 -7.558 1.00 0.00 O ATOM 871 CB LEU A 57 0.556 -17.110 -8.842 1.00 0.00 C ATOM 872 CG LEU A 57 0.822 -15.820 -9.654 1.00 0.00 C ATOM 873 CD1 LEU A 57 2.268 -15.786 -10.146 1.00 0.00 C ATOM 874 CD2 LEU A 57 -0.142 -15.697 -10.837 1.00 0.00 C ATOM 0 H LEU A 57 -2.232 -16.366 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.752 -18.058 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.377 -17.245 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.582 -17.956 -9.528 1.00 0.00 H new ATOM 0 HG LEU A 57 0.654 -14.971 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.437 -14.872 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.944 -15.812 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.456 -16.650 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.072 -14.780 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.017 -16.554 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.168 -15.669 -10.469 1.00 0.00 H new ATOM 886 N PRO A 58 -0.323 -15.952 -5.955 1.00 0.00 N ATOM 887 CA PRO A 58 -0.353 -14.802 -5.045 1.00 0.00 C ATOM 888 C PRO A 58 0.383 -13.599 -5.640 1.00 0.00 C ATOM 889 O PRO A 58 1.613 -13.510 -5.585 1.00 0.00 O ATOM 890 CB PRO A 58 0.338 -15.317 -3.771 1.00 0.00 C ATOM 891 CG PRO A 58 1.160 -16.477 -4.222 1.00 0.00 C ATOM 892 CD PRO A 58 0.413 -17.092 -5.374 1.00 0.00 C ATOM 0 HA PRO A 58 -1.366 -14.447 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.960 -14.544 -3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.392 -15.618 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.155 -16.154 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.294 -17.197 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.092 -17.542 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.264 -17.878 -5.040 1.00 0.00 H new ATOM 900 N ILE A 59 -0.384 -12.697 -6.238 1.00 0.00 N ATOM 901 CA ILE A 59 0.164 -11.523 -6.908 1.00 0.00 C ATOM 902 C ILE A 59 0.296 -10.351 -5.931 1.00 0.00 C ATOM 903 O ILE A 59 -0.486 -10.227 -4.981 1.00 0.00 O ATOM 904 CB ILE A 59 -0.723 -11.114 -8.117 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.159 -9.868 -8.828 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.164 -10.883 -7.670 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.955 -9.442 -10.047 1.00 0.00 C ATOM 0 H ILE A 59 -1.402 -12.757 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 59 1.157 -11.781 -7.277 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.714 -11.934 -8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.128 -9.040 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.869 -10.068 -9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.770 -10.597 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.561 -11.800 -7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.191 -10.087 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.495 -8.559 -10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.965 -10.252 -10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.977 -9.208 -9.750 1.00 0.00 H new ATOM 919 N THR A 60 1.300 -9.511 -6.156 1.00 0.00 N ATOM 920 CA THR A 60 1.556 -8.347 -5.314 1.00 0.00 C ATOM 921 C THR A 60 1.273 -7.053 -6.080 1.00 0.00 C ATOM 922 O THR A 60 1.885 -6.787 -7.118 1.00 0.00 O ATOM 923 CB THR A 60 3.019 -8.355 -4.819 1.00 0.00 C ATOM 924 OG1 THR A 60 3.279 -9.586 -4.129 1.00 0.00 O ATOM 925 CG2 THR A 60 3.303 -7.176 -3.892 1.00 0.00 C ATOM 0 H THR A 60 1.960 -9.617 -6.927 1.00 0.00 H new ATOM 0 HA THR A 60 0.889 -8.396 -4.453 1.00 0.00 H new ATOM 0 HB THR A 60 3.674 -8.264 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.207 -9.595 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.342 -7.214 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.125 -6.242 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.645 -7.229 -3.024 1.00 0.00 H new ATOM 933 N VAL A 61 0.346 -6.251 -5.563 1.00 0.00 N ATOM 934 CA VAL A 61 -0.077 -5.018 -6.231 1.00 0.00 C ATOM 935 C VAL A 61 0.063 -3.802 -5.316 1.00 0.00 C ATOM 936 O VAL A 61 0.458 -3.922 -4.151 1.00 0.00 O ATOM 937 CB VAL A 61 -1.543 -5.109 -6.725 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.687 -6.149 -7.834 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.486 -5.416 -5.562 1.00 0.00 C ATOM 0 H VAL A 61 -0.130 -6.432 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 61 0.583 -4.896 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.819 -4.140 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.726 -6.191 -8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.053 -5.873 -8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.385 -7.126 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.510 -5.476 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.207 -6.367 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.414 -4.624 -4.816 1.00 0.00 H new ATOM 949 N GLU A 62 -0.258 -2.637 -5.874 1.00 0.00 N ATOM 950 CA GLU A 62 -0.235 -1.369 -5.155 1.00 0.00 C ATOM 951 C GLU A 62 -1.222 -1.392 -3.983 1.00 0.00 C ATOM 952 O GLU A 62 -2.440 -1.394 -4.180 1.00 0.00 O ATOM 953 CB GLU A 62 -0.572 -0.233 -6.136 1.00 0.00 C ATOM 954 CG GLU A 62 -0.670 1.155 -5.510 1.00 0.00 C ATOM 955 CD GLU A 62 -0.871 2.246 -6.554 1.00 0.00 C ATOM 956 OE1 GLU A 62 -2.017 2.423 -7.030 1.00 0.00 O ATOM 957 OE2 GLU A 62 0.116 2.920 -6.912 1.00 0.00 O ATOM 0 H GLU A 62 -0.544 -2.548 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 62 0.760 -1.203 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.189 -0.210 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.520 -0.463 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.499 1.175 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.238 1.360 -4.943 1.00 0.00 H new ATOM 964 N ALA A 63 -0.679 -1.436 -2.769 1.00 0.00 N ATOM 965 CA ALA A 63 -1.485 -1.476 -1.551 1.00 0.00 C ATOM 966 C ALA A 63 -2.106 -0.116 -1.247 1.00 0.00 C ATOM 967 O ALA A 63 -1.396 0.884 -1.117 1.00 0.00 O ATOM 968 CB ALA A 63 -0.633 -1.930 -0.370 1.00 0.00 C ATOM 0 H ALA A 63 0.327 -1.445 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.293 -2.190 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.245 -1.956 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.237 -2.926 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.193 -1.233 -0.228 1.00 0.00 H new ATOM 974 N ARG A 64 -3.427 -0.087 -1.128 1.00 0.00 N ATOM 975 CA ARG A 64 -4.145 1.122 -0.746 1.00 0.00 C ATOM 976 C ARG A 64 -5.254 0.776 0.244 1.00 0.00 C ATOM 977 O ARG A 64 -6.293 0.233 -0.136 1.00 0.00 O ATOM 978 CB ARG A 64 -4.715 1.816 -1.991 1.00 0.00 C ATOM 979 CG ARG A 64 -5.469 3.112 -1.699 1.00 0.00 C ATOM 980 CD ARG A 64 -5.696 3.919 -2.973 1.00 0.00 C ATOM 981 NE ARG A 64 -4.423 4.322 -3.581 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.010 3.953 -4.796 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.786 3.209 -5.580 1.00 0.00 N ATOM 984 NH2 ARG A 64 -2.817 4.340 -5.230 1.00 0.00 N ATOM 0 H ARG A 64 -4.028 -0.895 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.454 1.812 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.897 2.032 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.387 1.126 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.429 2.881 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.905 3.710 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.270 3.326 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.289 4.804 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.809 4.928 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.707 2.915 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.460 2.933 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.221 4.916 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.496 4.061 -6.157 1.00 0.00 H new ATOM 998 N LYS A 65 -5.005 1.059 1.519 1.00 0.00 N ATOM 999 CA LYS A 65 -5.967 0.775 2.579 1.00 0.00 C ATOM 1000 C LYS A 65 -7.004 1.896 2.642 1.00 0.00 C ATOM 1001 O LYS A 65 -6.652 3.077 2.679 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.225 0.609 3.928 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.099 0.180 5.116 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.890 1.346 5.709 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.778 0.915 6.869 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.673 2.018 7.310 1.00 0.00 N ATOM 0 H LYS A 65 -4.139 1.488 1.845 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.490 -0.158 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.432 -0.128 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.744 1.555 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.791 -0.597 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.467 -0.257 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.197 2.115 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.506 1.796 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.378 0.056 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.156 0.594 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.540 1.618 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.185 2.597 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.920 2.612 6.493 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.278 1.519 2.644 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.375 2.481 2.675 1.00 0.00 C ATOM 1022 C LEU A 66 -9.992 2.537 4.076 1.00 0.00 C ATOM 1023 O LEU A 66 -10.988 1.823 4.335 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.433 2.100 1.625 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.908 1.972 0.182 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.025 1.545 -0.763 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.276 3.284 -0.283 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.466 3.285 4.928 1.00 0.00 O ATOM 0 H LEU A 66 -8.579 0.545 2.624 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.989 3.472 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.885 1.152 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.225 2.849 1.642 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.138 1.201 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.632 1.461 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.421 0.580 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.822 2.288 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.912 3.171 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.021 4.079 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.443 3.539 0.373 1.00 0.00 H new TER 1040 LEU A 66