USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 98 SER OG : rot 81:sc= 0.862 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 ASN :FLIP amide:sc= -5.87! C(o=-13!,f=-11!) USER MOD Set 2.2: A 68 SER OG : rot 108:sc= 0.392 USER MOD Set 2.3: A 86 THR OG1 : rot 176:sc= -5.73! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 150:sc= -0.297 (180deg=-1.96!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -156:sc= -0.439 (180deg=-0.868) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -158:sc= -0.303 USER MOD Single : A 29 CYS SG : rot 100:sc= -0.205 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -1.38 F(o=-2.8,f=-1.4) USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 SER OG : rot 5:sc= 0.656 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.78! C(o=-1.8!,f=-13!) USER MOD Single : A 69 TYR OH : rot 30:sc= -1.03 USER MOD Single : A 79 ASN : amide:sc= -9.4! C(o=-9.4!,f=-11!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 17:sc= -0.163 USER MOD Single : A 91 LYS NZ :NH3+ -116:sc=-0.00731 (180deg=-0.493) USER MOD Single : A 95 THR OG1 : rot 175:sc= -4.98! USER MOD Single : A 97 TYR OH : rot 100:sc= -0.123 USER MOD Single : A 99 ASN :FLIP amide:sc= -0.431 F(o=-3.5!,f=-0.43) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0.754 (180deg=0.754) USER MOD Single : A 110 SER OG : rot 180:sc= -1.16! USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= -3.95! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.411 20.085 9.392 1.00 0.00 N ATOM 2 CA GLY A 1 1.748 20.623 9.008 1.00 0.00 C ATOM 3 C GLY A 1 2.759 20.318 10.115 1.00 0.00 C ATOM 4 O GLY A 1 3.601 19.453 9.979 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.276 20.293 8.639 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.477 19.056 9.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.099 20.531 10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.075 20.176 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.685 21.699 8.845 1.00 0.00 H new ATOM 10 N SER A 2 2.682 21.023 11.210 1.00 0.00 N ATOM 11 CA SER A 2 3.640 20.772 12.326 1.00 0.00 C ATOM 12 C SER A 2 5.080 20.890 11.825 1.00 0.00 C ATOM 13 O SER A 2 5.331 20.965 10.639 1.00 0.00 O ATOM 14 CB SER A 2 3.349 19.346 12.783 1.00 0.00 C ATOM 15 OG SER A 2 2.185 19.343 13.598 1.00 0.00 O ATOM 0 H SER A 2 1.999 21.761 11.381 1.00 0.00 H new ATOM 0 HA SER A 2 3.526 21.492 13.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.204 18.697 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.198 18.950 13.340 1.00 0.00 H new ATOM 0 HG SER A 2 1.994 18.428 13.892 1.00 0.00 H new ATOM 21 N HIS A 3 6.029 20.909 12.720 1.00 0.00 N ATOM 22 CA HIS A 3 7.455 21.026 12.292 1.00 0.00 C ATOM 23 C HIS A 3 8.177 19.692 12.507 1.00 0.00 C ATOM 24 O HIS A 3 9.317 19.524 12.123 1.00 0.00 O ATOM 25 CB HIS A 3 8.079 22.112 13.184 1.00 0.00 C ATOM 26 CG HIS A 3 7.040 23.124 13.599 1.00 0.00 C ATOM 27 ND1 HIS A 3 6.583 23.215 14.904 1.00 0.00 N ATOM 28 CD2 HIS A 3 6.360 24.088 12.896 1.00 0.00 C ATOM 29 CE1 HIS A 3 5.669 24.201 14.947 1.00 0.00 C ATOM 30 NE2 HIS A 3 5.494 24.766 13.750 1.00 0.00 N ATOM 0 H HIS A 3 5.881 20.849 13.727 1.00 0.00 H new ATOM 0 HA HIS A 3 7.537 21.281 11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.521 21.653 14.069 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.886 22.611 12.647 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.479 24.290 11.842 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.141 24.499 15.841 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.862 25.530 13.512 1.00 0.00 H new ATOM 38 N MET A 4 7.524 18.745 13.125 1.00 0.00 N ATOM 39 CA MET A 4 8.178 17.426 13.371 1.00 0.00 C ATOM 40 C MET A 4 8.289 16.627 12.067 1.00 0.00 C ATOM 41 O MET A 4 9.331 16.092 11.744 1.00 0.00 O ATOM 42 CB MET A 4 7.264 16.707 14.364 1.00 0.00 C ATOM 43 CG MET A 4 7.005 17.615 15.570 1.00 0.00 C ATOM 44 SD MET A 4 5.249 17.558 16.008 1.00 0.00 S ATOM 45 CE MET A 4 5.071 15.758 16.002 1.00 0.00 C ATOM 0 H MET A 4 6.568 18.827 13.470 1.00 0.00 H new ATOM 0 HA MET A 4 9.191 17.539 13.756 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.321 16.445 13.883 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.725 15.775 14.690 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.612 17.294 16.417 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.299 18.638 15.337 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.301 15.466 16.716 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.786 15.424 15.004 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.019 15.298 16.282 1.00 0.00 H new ATOM 55 N THR A 5 7.226 16.543 11.313 1.00 0.00 N ATOM 56 CA THR A 5 7.279 15.779 10.035 1.00 0.00 C ATOM 57 C THR A 5 6.752 16.645 8.891 1.00 0.00 C ATOM 58 O THR A 5 6.095 17.643 9.110 1.00 0.00 O ATOM 59 CB THR A 5 6.370 14.570 10.257 1.00 0.00 C ATOM 60 OG1 THR A 5 5.028 15.010 10.400 1.00 0.00 O ATOM 61 CG2 THR A 5 6.805 13.828 11.521 1.00 0.00 C ATOM 0 H THR A 5 6.325 16.970 11.527 1.00 0.00 H new ATOM 0 HA THR A 5 8.293 15.479 9.770 1.00 0.00 H new ATOM 0 HB THR A 5 6.442 13.898 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.443 14.236 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.156 12.966 11.678 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.835 13.491 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.734 14.497 12.378 1.00 0.00 H new ATOM 69 N GLU A 6 7.032 16.277 7.672 1.00 0.00 N ATOM 70 CA GLU A 6 6.540 17.094 6.528 1.00 0.00 C ATOM 71 C GLU A 6 6.877 16.413 5.198 1.00 0.00 C ATOM 72 O GLU A 6 7.067 17.066 4.191 1.00 0.00 O ATOM 73 CB GLU A 6 7.281 18.427 6.647 1.00 0.00 C ATOM 74 CG GLU A 6 8.762 18.163 6.933 1.00 0.00 C ATOM 75 CD GLU A 6 9.476 19.487 7.215 1.00 0.00 C ATOM 76 OE1 GLU A 6 8.846 20.520 7.062 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.639 19.444 7.580 1.00 0.00 O ATOM 0 H GLU A 6 7.576 15.452 7.419 1.00 0.00 H new ATOM 0 HA GLU A 6 5.458 17.221 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.174 18.999 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.846 19.027 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.864 17.494 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.224 17.664 6.081 1.00 0.00 H new ATOM 84 N ARG A 7 6.957 15.109 5.183 1.00 0.00 N ATOM 85 CA ARG A 7 7.286 14.402 3.910 1.00 0.00 C ATOM 86 C ARG A 7 7.373 12.889 4.138 1.00 0.00 C ATOM 87 O ARG A 7 8.143 12.199 3.500 1.00 0.00 O ATOM 88 CB ARG A 7 8.645 14.962 3.471 1.00 0.00 C ATOM 89 CG ARG A 7 9.573 15.120 4.682 1.00 0.00 C ATOM 90 CD ARG A 7 10.058 13.744 5.143 1.00 0.00 C ATOM 91 NE ARG A 7 11.531 13.892 5.303 1.00 0.00 N ATOM 92 CZ ARG A 7 12.305 13.900 4.250 1.00 0.00 C ATOM 93 NH1 ARG A 7 12.037 13.124 3.235 1.00 0.00 N ATOM 94 NH2 ARG A 7 13.347 14.685 4.214 1.00 0.00 N ATOM 0 H ARG A 7 6.810 14.505 5.992 1.00 0.00 H new ATOM 0 HA ARG A 7 6.520 14.560 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.101 14.295 2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.508 15.926 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.425 15.748 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.046 15.621 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.586 13.452 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.815 12.974 4.411 1.00 0.00 H new ATOM 0 HE ARG A 7 11.936 13.987 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.223 12.510 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.642 13.131 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.556 15.291 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.952 14.692 3.393 1.00 0.00 H new ATOM 108 N ARG A 8 6.581 12.366 5.032 1.00 0.00 N ATOM 109 CA ARG A 8 6.613 10.897 5.292 1.00 0.00 C ATOM 110 C ARG A 8 5.591 10.179 4.403 1.00 0.00 C ATOM 111 O ARG A 8 5.502 8.968 4.395 1.00 0.00 O ATOM 112 CB ARG A 8 6.232 10.754 6.766 1.00 0.00 C ATOM 113 CG ARG A 8 6.799 9.445 7.316 1.00 0.00 C ATOM 114 CD ARG A 8 6.348 9.263 8.767 1.00 0.00 C ATOM 115 NE ARG A 8 7.608 9.060 9.531 1.00 0.00 N ATOM 116 CZ ARG A 8 8.522 9.987 9.528 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.240 11.180 9.976 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.717 9.725 9.076 1.00 0.00 N ATOM 0 H ARG A 8 5.912 12.891 5.595 1.00 0.00 H new ATOM 0 HA ARG A 8 7.587 10.458 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.620 11.598 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.148 10.767 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.458 8.606 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.888 9.456 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.804 10.137 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.680 8.408 8.870 1.00 0.00 H new ATOM 0 HE ARG A 8 7.755 8.198 10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.305 11.385 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.955 11.908 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.936 8.793 8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.432 10.452 9.074 1.00 0.00 H new ATOM 132 N LEU A 9 4.812 10.922 3.663 1.00 0.00 N ATOM 133 CA LEU A 9 3.782 10.295 2.783 1.00 0.00 C ATOM 134 C LEU A 9 4.424 9.354 1.753 1.00 0.00 C ATOM 135 O LEU A 9 5.099 9.786 0.830 1.00 0.00 O ATOM 136 CB LEU A 9 3.109 11.471 2.075 1.00 0.00 C ATOM 137 CG LEU A 9 1.805 11.829 2.792 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.852 10.634 2.754 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.106 12.194 4.248 1.00 0.00 C ATOM 0 H LEU A 9 4.845 11.941 3.630 1.00 0.00 H new ATOM 0 HA LEU A 9 3.080 9.689 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.777 12.332 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.905 11.213 1.036 1.00 0.00 H new ATOM 0 HG LEU A 9 1.340 12.678 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.075 10.892 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.635 10.374 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.316 9.783 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.177 12.449 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.573 11.345 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.782 13.048 4.277 1.00 0.00 H new ATOM 151 N ARG A 10 4.206 8.071 1.889 1.00 0.00 N ATOM 152 CA ARG A 10 4.784 7.117 0.901 1.00 0.00 C ATOM 153 C ARG A 10 3.990 5.816 0.864 1.00 0.00 C ATOM 154 O ARG A 10 3.180 5.542 1.723 1.00 0.00 O ATOM 155 CB ARG A 10 6.221 6.867 1.353 1.00 0.00 C ATOM 156 CG ARG A 10 7.075 6.489 0.141 1.00 0.00 C ATOM 157 CD ARG A 10 6.863 7.519 -0.973 1.00 0.00 C ATOM 158 NE ARG A 10 6.324 6.745 -2.125 1.00 0.00 N ATOM 159 CZ ARG A 10 6.074 7.347 -3.256 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.996 8.069 -3.834 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.900 7.226 -3.811 1.00 0.00 N ATOM 0 H ARG A 10 3.657 7.647 2.636 1.00 0.00 H new ATOM 0 HA ARG A 10 4.749 7.524 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.624 7.759 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.247 6.068 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.128 6.452 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.804 5.494 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.167 8.298 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.798 8.014 -1.235 1.00 0.00 H new ATOM 0 HE ARG A 10 6.150 5.744 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.915 8.164 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.797 8.538 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.179 6.662 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.703 7.696 -4.695 1.00 0.00 H new ATOM 175 N VAL A 11 4.206 5.023 -0.147 1.00 0.00 N ATOM 176 CA VAL A 11 3.443 3.749 -0.265 1.00 0.00 C ATOM 177 C VAL A 11 4.309 2.619 -0.842 1.00 0.00 C ATOM 178 O VAL A 11 4.707 2.653 -1.992 1.00 0.00 O ATOM 179 CB VAL A 11 2.319 4.091 -1.241 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.517 5.279 -0.707 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.932 4.468 -2.592 1.00 0.00 C ATOM 0 H VAL A 11 4.876 5.201 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 11 3.091 3.393 0.703 1.00 0.00 H new ATOM 0 HB VAL A 11 1.660 3.230 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.716 5.521 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.089 5.023 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.174 6.141 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.137 4.714 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.586 5.331 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.510 3.628 -2.976 1.00 0.00 H new ATOM 191 N LEU A 12 4.578 1.600 -0.069 1.00 0.00 N ATOM 192 CA LEU A 12 5.378 0.464 -0.604 1.00 0.00 C ATOM 193 C LEU A 12 4.422 -0.579 -1.175 1.00 0.00 C ATOM 194 O LEU A 12 3.922 -1.430 -0.466 1.00 0.00 O ATOM 195 CB LEU A 12 6.138 -0.116 0.586 1.00 0.00 C ATOM 196 CG LEU A 12 6.694 1.014 1.446 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.957 1.036 2.769 1.00 0.00 C ATOM 198 CD2 LEU A 12 8.188 0.784 1.689 1.00 0.00 C ATOM 0 H LEU A 12 4.280 1.507 0.902 1.00 0.00 H new ATOM 0 HA LEU A 12 6.064 0.774 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.475 -0.745 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.951 -0.752 0.235 1.00 0.00 H new ATOM 0 HG LEU A 12 6.558 1.968 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.349 1.841 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.894 1.199 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.097 0.083 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.585 1.592 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.331 -0.167 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.713 0.763 0.734 1.00 0.00 H new ATOM 210 N VAL A 13 4.157 -0.520 -2.447 1.00 0.00 N ATOM 211 CA VAL A 13 3.225 -1.509 -3.054 1.00 0.00 C ATOM 212 C VAL A 13 4.047 -2.634 -3.656 1.00 0.00 C ATOM 213 O VAL A 13 5.106 -2.408 -4.207 1.00 0.00 O ATOM 214 CB VAL A 13 2.445 -0.759 -4.143 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.030 -1.332 -4.225 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.356 0.736 -3.810 1.00 0.00 C ATOM 0 H VAL A 13 4.544 0.168 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 13 2.537 -1.939 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 13 2.963 -0.880 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.468 -0.805 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.081 -2.392 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.531 -1.208 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.800 1.251 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.845 0.867 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.360 1.154 -3.744 1.00 0.00 H new ATOM 226 N VAL A 14 3.600 -3.848 -3.540 1.00 0.00 N ATOM 227 CA VAL A 14 4.417 -4.955 -4.094 1.00 0.00 C ATOM 228 C VAL A 14 3.568 -6.176 -4.471 1.00 0.00 C ATOM 229 O VAL A 14 2.640 -6.558 -3.781 1.00 0.00 O ATOM 230 CB VAL A 14 5.403 -5.303 -2.974 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.556 -4.298 -2.965 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.694 -5.266 -1.617 1.00 0.00 C ATOM 0 H VAL A 14 2.723 -4.119 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 14 4.913 -4.657 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 14 5.792 -6.306 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.253 -4.551 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.075 -4.331 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.163 -3.295 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.404 -5.515 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.294 -4.267 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.879 -5.990 -1.613 1.00 0.00 H new ATOM 242 N GLU A 15 3.919 -6.789 -5.570 1.00 0.00 N ATOM 243 CA GLU A 15 3.210 -8.008 -6.059 1.00 0.00 C ATOM 244 C GLU A 15 4.056 -8.642 -7.176 1.00 0.00 C ATOM 245 O GLU A 15 4.449 -7.985 -8.118 1.00 0.00 O ATOM 246 CB GLU A 15 1.847 -7.525 -6.575 1.00 0.00 C ATOM 247 CG GLU A 15 1.278 -8.513 -7.600 1.00 0.00 C ATOM 248 CD GLU A 15 1.067 -7.792 -8.933 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.859 -6.916 -9.240 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.122 -8.128 -9.626 1.00 0.00 O ATOM 0 H GLU A 15 4.690 -6.486 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 15 3.066 -8.764 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.153 -7.418 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.952 -6.540 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.961 -9.352 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.334 -8.923 -7.242 1.00 0.00 H new ATOM 257 N ASP A 16 4.351 -9.908 -7.037 1.00 0.00 N ATOM 258 CA ASP A 16 5.198 -10.662 -8.028 1.00 0.00 C ATOM 259 C ASP A 16 5.492 -9.900 -9.336 1.00 0.00 C ATOM 260 O ASP A 16 6.614 -9.510 -9.590 1.00 0.00 O ATOM 261 CB ASP A 16 4.409 -11.938 -8.334 1.00 0.00 C ATOM 262 CG ASP A 16 2.912 -11.627 -8.417 1.00 0.00 C ATOM 263 OD1 ASP A 16 2.269 -11.629 -7.382 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.436 -11.394 -9.514 1.00 0.00 O ATOM 0 H ASP A 16 4.031 -10.475 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 16 6.182 -10.841 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.751 -12.369 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.591 -12.682 -7.558 1.00 0.00 H new ATOM 269 N GLU A 17 4.519 -9.742 -10.194 1.00 0.00 N ATOM 270 CA GLU A 17 4.777 -9.075 -11.511 1.00 0.00 C ATOM 271 C GLU A 17 5.134 -7.593 -11.382 1.00 0.00 C ATOM 272 O GLU A 17 5.044 -6.998 -10.327 1.00 0.00 O ATOM 273 CB GLU A 17 3.482 -9.242 -12.307 1.00 0.00 C ATOM 274 CG GLU A 17 2.332 -8.552 -11.573 1.00 0.00 C ATOM 275 CD GLU A 17 1.089 -9.444 -11.617 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.225 -10.629 -11.359 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.023 -8.928 -11.908 1.00 0.00 O ATOM 0 H GLU A 17 3.557 -10.044 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 17 5.640 -9.530 -11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.599 -8.815 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.259 -10.301 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.614 -8.354 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.118 -7.588 -12.035 1.00 0.00 H new ATOM 284 N SER A 18 5.547 -7.008 -12.483 1.00 0.00 N ATOM 285 CA SER A 18 5.931 -5.567 -12.499 1.00 0.00 C ATOM 286 C SER A 18 4.717 -4.692 -12.816 1.00 0.00 C ATOM 287 O SER A 18 4.818 -3.484 -12.877 1.00 0.00 O ATOM 288 CB SER A 18 6.967 -5.451 -13.618 1.00 0.00 C ATOM 289 OG SER A 18 8.149 -6.146 -13.243 1.00 0.00 O ATOM 0 H SER A 18 5.634 -7.480 -13.383 1.00 0.00 H new ATOM 0 HA SER A 18 6.319 -5.237 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.567 -5.865 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.194 -4.402 -13.810 1.00 0.00 H new ATOM 0 HG SER A 18 8.813 -6.073 -13.960 1.00 0.00 H new ATOM 295 N MET A 19 3.567 -5.280 -13.004 1.00 0.00 N ATOM 296 CA MET A 19 2.364 -4.450 -13.296 1.00 0.00 C ATOM 297 C MET A 19 2.248 -3.364 -12.228 1.00 0.00 C ATOM 298 O MET A 19 1.622 -2.340 -12.420 1.00 0.00 O ATOM 299 CB MET A 19 1.178 -5.413 -13.227 1.00 0.00 C ATOM 300 CG MET A 19 0.138 -5.013 -14.275 1.00 0.00 C ATOM 301 SD MET A 19 0.713 -5.512 -15.916 1.00 0.00 S ATOM 302 CE MET A 19 0.917 -3.851 -16.604 1.00 0.00 C ATOM 0 H MET A 19 3.409 -6.287 -12.969 1.00 0.00 H new ATOM 0 HA MET A 19 2.410 -3.958 -14.268 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.514 -6.435 -13.404 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.735 -5.391 -12.231 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.818 -5.487 -14.053 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.026 -3.936 -14.247 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.850 -3.897 -17.691 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.133 -3.199 -16.219 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.891 -3.455 -16.317 1.00 0.00 H new ATOM 312 N ILE A 20 2.864 -3.593 -11.103 1.00 0.00 N ATOM 313 CA ILE A 20 2.830 -2.602 -9.995 1.00 0.00 C ATOM 314 C ILE A 20 4.137 -1.811 -9.970 1.00 0.00 C ATOM 315 O ILE A 20 4.394 -1.027 -9.076 1.00 0.00 O ATOM 316 CB ILE A 20 2.699 -3.465 -8.751 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.750 -2.586 -7.500 1.00 0.00 C ATOM 318 CG2 ILE A 20 3.832 -4.494 -8.705 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.446 -3.444 -6.270 1.00 0.00 C ATOM 0 H ILE A 20 3.398 -4.439 -10.902 1.00 0.00 H new ATOM 0 HA ILE A 20 2.025 -1.873 -10.086 1.00 0.00 H new ATOM 0 HB ILE A 20 1.743 -3.988 -8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.734 -2.126 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.026 -1.775 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.730 -5.108 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.782 -5.130 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.792 -3.978 -8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.481 -2.823 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.453 -3.882 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.187 -4.239 -6.189 1.00 0.00 H new ATOM 331 N ALA A 21 4.964 -2.029 -10.948 1.00 0.00 N ATOM 332 CA ALA A 21 6.268 -1.327 -11.020 1.00 0.00 C ATOM 333 C ALA A 21 6.095 0.070 -11.618 1.00 0.00 C ATOM 334 O ALA A 21 5.895 1.036 -10.906 1.00 0.00 O ATOM 335 CB ALA A 21 7.090 -2.223 -11.931 1.00 0.00 C ATOM 0 H ALA A 21 4.787 -2.677 -11.715 1.00 0.00 H new ATOM 0 HA ALA A 21 6.734 -1.172 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.086 -1.798 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.173 -3.215 -11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.602 -2.300 -12.903 1.00 0.00 H new ATOM 341 N MET A 22 6.162 0.195 -12.914 1.00 0.00 N ATOM 342 CA MET A 22 5.986 1.545 -13.517 1.00 0.00 C ATOM 343 C MET A 22 4.666 2.129 -13.032 1.00 0.00 C ATOM 344 O MET A 22 4.467 3.328 -13.007 1.00 0.00 O ATOM 345 CB MET A 22 5.967 1.326 -15.030 1.00 0.00 C ATOM 346 CG MET A 22 6.585 2.539 -15.726 1.00 0.00 C ATOM 347 SD MET A 22 6.208 2.476 -17.494 1.00 0.00 S ATOM 348 CE MET A 22 6.875 4.102 -17.923 1.00 0.00 C ATOM 0 H MET A 22 6.328 -0.566 -13.573 1.00 0.00 H new ATOM 0 HA MET A 22 6.779 2.239 -13.240 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.523 0.424 -15.285 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.944 1.177 -15.374 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.194 3.459 -15.292 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.664 2.549 -15.573 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.746 4.278 -18.991 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.346 4.872 -17.362 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.936 4.137 -17.675 1.00 0.00 H new ATOM 358 N LEU A 23 3.775 1.279 -12.608 1.00 0.00 N ATOM 359 CA LEU A 23 2.472 1.756 -12.077 1.00 0.00 C ATOM 360 C LEU A 23 2.737 2.698 -10.900 1.00 0.00 C ATOM 361 O LEU A 23 1.873 3.428 -10.459 1.00 0.00 O ATOM 362 CB LEU A 23 1.769 0.476 -11.608 1.00 0.00 C ATOM 363 CG LEU A 23 0.481 0.811 -10.852 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.817 1.299 -9.441 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.294 1.895 -11.606 1.00 0.00 C ATOM 0 H LEU A 23 3.896 0.266 -12.607 1.00 0.00 H new ATOM 0 HA LEU A 23 1.872 2.303 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.539 -0.154 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.436 -0.096 -10.963 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.135 -0.086 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.104 1.536 -8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.356 0.518 -8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.439 2.192 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.210 2.131 -11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.320 2.792 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.545 1.536 -12.604 1.00 0.00 H new ATOM 377 N ILE A 24 3.936 2.675 -10.385 1.00 0.00 N ATOM 378 CA ILE A 24 4.274 3.549 -9.233 1.00 0.00 C ATOM 379 C ILE A 24 5.141 4.728 -9.691 1.00 0.00 C ATOM 380 O ILE A 24 4.878 5.869 -9.366 1.00 0.00 O ATOM 381 CB ILE A 24 5.027 2.615 -8.271 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.531 2.868 -6.848 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.544 2.846 -8.328 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.059 1.776 -5.916 1.00 0.00 C ATOM 0 H ILE A 24 4.698 2.084 -10.717 1.00 0.00 H new ATOM 0 HA ILE A 24 3.401 3.999 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 24 4.833 1.585 -8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.867 3.846 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.441 2.880 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.042 2.168 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.903 2.658 -9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.766 3.876 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.703 1.960 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.702 0.804 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.149 1.785 -5.925 1.00 0.00 H new ATOM 396 N GLU A 25 6.175 4.455 -10.436 1.00 0.00 N ATOM 397 CA GLU A 25 7.066 5.552 -10.908 1.00 0.00 C ATOM 398 C GLU A 25 6.243 6.648 -11.590 1.00 0.00 C ATOM 399 O GLU A 25 6.649 7.792 -11.655 1.00 0.00 O ATOM 400 CB GLU A 25 8.014 4.888 -11.905 1.00 0.00 C ATOM 401 CG GLU A 25 9.324 4.531 -11.201 1.00 0.00 C ATOM 402 CD GLU A 25 10.476 5.303 -11.845 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.202 6.268 -12.538 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.614 4.917 -11.633 1.00 0.00 O ATOM 0 H GLU A 25 6.442 3.518 -10.739 1.00 0.00 H new ATOM 0 HA GLU A 25 7.605 6.029 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.554 3.990 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.209 5.560 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.257 4.774 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.507 3.459 -11.271 1.00 0.00 H new ATOM 411 N ASP A 26 5.090 6.311 -12.097 1.00 0.00 N ATOM 412 CA ASP A 26 4.245 7.339 -12.768 1.00 0.00 C ATOM 413 C ASP A 26 3.442 8.122 -11.723 1.00 0.00 C ATOM 414 O ASP A 26 3.394 9.335 -11.749 1.00 0.00 O ATOM 415 CB ASP A 26 3.323 6.551 -13.707 1.00 0.00 C ATOM 416 CG ASP A 26 2.132 5.991 -12.927 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.166 6.717 -12.759 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.208 4.847 -12.509 1.00 0.00 O ATOM 0 H ASP A 26 4.696 5.370 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 26 4.835 8.072 -13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.970 7.198 -14.510 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.877 5.737 -14.174 1.00 0.00 H new ATOM 423 N THR A 27 2.824 7.442 -10.794 1.00 0.00 N ATOM 424 CA THR A 27 2.050 8.162 -9.751 1.00 0.00 C ATOM 425 C THR A 27 3.003 9.038 -8.941 1.00 0.00 C ATOM 426 O THR A 27 2.817 10.232 -8.820 1.00 0.00 O ATOM 427 CB THR A 27 1.434 7.075 -8.873 1.00 0.00 C ATOM 428 OG1 THR A 27 1.640 5.802 -9.471 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.064 7.331 -8.718 1.00 0.00 C ATOM 0 H THR A 27 2.824 6.425 -10.715 1.00 0.00 H new ATOM 0 HA THR A 27 1.279 8.809 -10.170 1.00 0.00 H new ATOM 0 HB THR A 27 1.908 7.093 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.979 5.167 -9.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.503 6.555 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.221 8.304 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.539 7.317 -9.699 1.00 0.00 H new ATOM 437 N LEU A 28 4.039 8.454 -8.405 1.00 0.00 N ATOM 438 CA LEU A 28 5.019 9.255 -7.627 1.00 0.00 C ATOM 439 C LEU A 28 5.545 10.384 -8.516 1.00 0.00 C ATOM 440 O LEU A 28 5.818 11.476 -8.059 1.00 0.00 O ATOM 441 CB LEU A 28 6.128 8.259 -7.254 1.00 0.00 C ATOM 442 CG LEU A 28 7.475 8.975 -7.071 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.093 9.270 -8.438 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.274 10.289 -6.307 1.00 0.00 C ATOM 0 H LEU A 28 4.247 7.458 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 28 4.599 9.720 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.860 7.740 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.218 7.502 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 28 8.143 8.329 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.048 9.778 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.252 8.335 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.420 9.908 -9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.235 10.788 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.599 10.936 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.845 10.078 -5.327 1.00 0.00 H new ATOM 456 N CYS A 29 5.674 10.129 -9.792 1.00 0.00 N ATOM 457 CA CYS A 29 6.166 11.189 -10.714 1.00 0.00 C ATOM 458 C CYS A 29 5.261 12.418 -10.608 1.00 0.00 C ATOM 459 O CYS A 29 5.690 13.540 -10.795 1.00 0.00 O ATOM 460 CB CYS A 29 6.082 10.575 -12.114 1.00 0.00 C ATOM 461 SG CYS A 29 7.751 10.379 -12.789 1.00 0.00 S ATOM 0 H CYS A 29 5.460 9.234 -10.232 1.00 0.00 H new ATOM 0 HA CYS A 29 7.181 11.511 -10.480 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.581 9.608 -12.069 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.487 11.213 -12.767 1.00 0.00 H new ATOM 0 HG CYS A 29 8.137 9.146 -12.642 1.00 0.00 H new ATOM 467 N GLU A 30 4.006 12.209 -10.306 1.00 0.00 N ATOM 468 CA GLU A 30 3.064 13.351 -10.181 1.00 0.00 C ATOM 469 C GLU A 30 3.024 13.847 -8.732 1.00 0.00 C ATOM 470 O GLU A 30 3.018 15.033 -8.472 1.00 0.00 O ATOM 471 CB GLU A 30 1.700 12.793 -10.593 1.00 0.00 C ATOM 472 CG GLU A 30 0.596 13.744 -10.125 1.00 0.00 C ATOM 473 CD GLU A 30 -0.625 13.601 -11.035 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.493 13.873 -12.217 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.671 13.222 -10.535 1.00 0.00 O ATOM 0 H GLU A 30 3.595 11.290 -10.141 1.00 0.00 H new ATOM 0 HA GLU A 30 3.360 14.198 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.656 12.673 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.553 11.805 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.322 13.520 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.957 14.772 -10.142 1.00 0.00 H new ATOM 482 N LEU A 31 2.988 12.945 -7.787 1.00 0.00 N ATOM 483 CA LEU A 31 2.940 13.369 -6.357 1.00 0.00 C ATOM 484 C LEU A 31 4.333 13.773 -5.870 1.00 0.00 C ATOM 485 O LEU A 31 4.487 14.705 -5.107 1.00 0.00 O ATOM 486 CB LEU A 31 2.454 12.140 -5.584 1.00 0.00 C ATOM 487 CG LEU A 31 1.025 11.791 -6.003 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.932 10.293 -6.292 1.00 0.00 C ATOM 489 CD2 LEU A 31 0.064 12.146 -4.867 1.00 0.00 C ATOM 0 H LEU A 31 2.990 11.937 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 31 2.286 14.230 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.115 11.295 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.490 12.336 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 31 0.760 12.353 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.086 10.043 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.620 10.034 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.195 9.732 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.956 11.899 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.331 11.580 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.131 13.213 -4.654 1.00 0.00 H new ATOM 501 N GLY A 32 5.349 13.072 -6.292 1.00 0.00 N ATOM 502 CA GLY A 32 6.722 13.415 -5.831 1.00 0.00 C ATOM 503 C GLY A 32 6.890 12.916 -4.396 1.00 0.00 C ATOM 504 O GLY A 32 7.660 13.451 -3.622 1.00 0.00 O ATOM 0 H GLY A 32 5.288 12.281 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.466 12.955 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.879 14.493 -5.878 1.00 0.00 H new ATOM 508 N HIS A 33 6.160 11.893 -4.041 1.00 0.00 N ATOM 509 CA HIS A 33 6.249 11.340 -2.659 1.00 0.00 C ATOM 510 C HIS A 33 7.700 10.983 -2.313 1.00 0.00 C ATOM 511 O HIS A 33 8.629 11.442 -2.947 1.00 0.00 O ATOM 512 CB HIS A 33 5.376 10.087 -2.696 1.00 0.00 C ATOM 513 CG HIS A 33 3.964 10.448 -2.323 1.00 0.00 C ATOM 514 ND1 HIS A 33 3.455 11.372 -1.443 1.00 0.00 N flip ATOM 515 CD2 HIS A 33 2.866 9.822 -2.892 1.00 0.00 C flip ATOM 516 CE1 HIS A 33 2.065 11.323 -1.465 1.00 0.00 C flip ATOM 517 NE2 HIS A 33 1.762 10.373 -2.354 1.00 0.00 N flip ATOM 0 H HIS A 33 5.501 11.413 -4.654 1.00 0.00 H new ATOM 0 HA HIS A 33 5.920 12.052 -1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.399 9.644 -3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.766 9.339 -2.006 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.012 11.999 -0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.892 9.036 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.378 11.924 -0.887 1.00 0.00 H new ATOM 525 N GLU A 34 7.905 10.175 -1.305 1.00 0.00 N ATOM 526 CA GLU A 34 9.305 9.807 -0.921 1.00 0.00 C ATOM 527 C GLU A 34 9.864 8.712 -1.850 1.00 0.00 C ATOM 528 O GLU A 34 10.350 8.989 -2.928 1.00 0.00 O ATOM 529 CB GLU A 34 9.193 9.299 0.516 1.00 0.00 C ATOM 530 CG GLU A 34 10.568 8.849 1.011 1.00 0.00 C ATOM 531 CD GLU A 34 10.396 7.916 2.211 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.374 7.252 2.277 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.287 7.881 3.043 1.00 0.00 O ATOM 0 H GLU A 34 7.171 9.756 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 34 9.989 10.652 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.803 10.086 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.488 8.469 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.105 8.337 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.167 9.715 1.293 1.00 0.00 H new ATOM 540 N VAL A 35 9.787 7.469 -1.440 1.00 0.00 N ATOM 541 CA VAL A 35 10.297 6.354 -2.290 1.00 0.00 C ATOM 542 C VAL A 35 9.238 5.249 -2.379 1.00 0.00 C ATOM 543 O VAL A 35 8.884 4.637 -1.390 1.00 0.00 O ATOM 544 CB VAL A 35 11.544 5.844 -1.567 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.551 6.986 -1.416 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.150 5.326 -0.181 1.00 0.00 C ATOM 0 H VAL A 35 9.389 7.180 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 35 10.521 6.671 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 35 11.995 5.037 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.440 6.622 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.830 7.358 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.102 7.793 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.037 4.962 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.700 6.134 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.432 4.513 -0.287 1.00 0.00 H new ATOM 556 N ALA A 36 8.718 4.999 -3.551 1.00 0.00 N ATOM 557 CA ALA A 36 7.672 3.949 -3.698 1.00 0.00 C ATOM 558 C ALA A 36 8.301 2.573 -3.950 1.00 0.00 C ATOM 559 O ALA A 36 9.413 2.463 -4.428 1.00 0.00 O ATOM 560 CB ALA A 36 6.845 4.392 -4.906 1.00 0.00 C ATOM 0 H ALA A 36 8.974 5.479 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 36 7.069 3.846 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.048 3.671 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.410 5.372 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.487 4.450 -5.785 1.00 0.00 H new ATOM 566 N ALA A 37 7.587 1.520 -3.640 1.00 0.00 N ATOM 567 CA ALA A 37 8.137 0.147 -3.869 1.00 0.00 C ATOM 568 C ALA A 37 7.216 -0.635 -4.809 1.00 0.00 C ATOM 569 O ALA A 37 6.034 -0.371 -4.897 1.00 0.00 O ATOM 570 CB ALA A 37 8.169 -0.518 -2.492 1.00 0.00 C ATOM 0 H ALA A 37 6.649 1.550 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 37 9.126 0.176 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.563 -1.530 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.808 0.059 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.159 -0.558 -2.084 1.00 0.00 H new ATOM 576 N THR A 38 7.749 -1.593 -5.514 1.00 0.00 N ATOM 577 CA THR A 38 6.905 -2.388 -6.452 1.00 0.00 C ATOM 578 C THR A 38 7.306 -3.868 -6.439 1.00 0.00 C ATOM 579 O THR A 38 8.213 -4.273 -5.739 1.00 0.00 O ATOM 580 CB THR A 38 7.149 -1.781 -7.833 1.00 0.00 C ATOM 581 OG1 THR A 38 8.368 -2.283 -8.364 1.00 0.00 O ATOM 582 CG2 THR A 38 7.227 -0.255 -7.728 1.00 0.00 C ATOM 0 H THR A 38 8.733 -1.861 -5.482 1.00 0.00 H new ATOM 0 HA THR A 38 5.853 -2.351 -6.168 1.00 0.00 H new ATOM 0 HB THR A 38 6.324 -2.052 -8.492 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.605 -1.780 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.401 0.169 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.289 0.131 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.046 0.023 -7.065 1.00 0.00 H new ATOM 590 N ALA A 39 6.612 -4.672 -7.206 1.00 0.00 N ATOM 591 CA ALA A 39 6.899 -6.138 -7.251 1.00 0.00 C ATOM 592 C ALA A 39 6.888 -6.701 -5.836 1.00 0.00 C ATOM 593 O ALA A 39 6.967 -5.976 -4.871 1.00 0.00 O ATOM 594 CB ALA A 39 8.287 -6.289 -7.860 1.00 0.00 C ATOM 0 H ALA A 39 5.848 -4.370 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 39 6.153 -6.675 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.547 -7.346 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.293 -5.860 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.016 -5.769 -7.238 1.00 0.00 H new ATOM 600 N SER A 40 6.776 -7.982 -5.698 1.00 0.00 N ATOM 601 CA SER A 40 6.759 -8.564 -4.329 1.00 0.00 C ATOM 602 C SER A 40 8.182 -8.921 -3.893 1.00 0.00 C ATOM 603 O SER A 40 8.823 -9.780 -4.463 1.00 0.00 O ATOM 604 CB SER A 40 5.873 -9.797 -4.427 1.00 0.00 C ATOM 605 OG SER A 40 6.532 -10.798 -5.193 1.00 0.00 O ATOM 0 H SER A 40 6.696 -8.652 -6.463 1.00 0.00 H new ATOM 0 HA SER A 40 6.376 -7.868 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.649 -10.176 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.921 -9.538 -4.891 1.00 0.00 H new ATOM 0 HG SER A 40 7.437 -10.496 -5.416 1.00 0.00 H new ATOM 611 N ARG A 41 8.681 -8.248 -2.889 1.00 0.00 N ATOM 612 CA ARG A 41 10.059 -8.518 -2.411 1.00 0.00 C ATOM 613 C ARG A 41 10.044 -8.825 -0.910 1.00 0.00 C ATOM 614 O ARG A 41 9.697 -7.989 -0.100 1.00 0.00 O ATOM 615 CB ARG A 41 10.827 -7.224 -2.683 1.00 0.00 C ATOM 616 CG ARG A 41 12.291 -7.552 -2.982 1.00 0.00 C ATOM 617 CD ARG A 41 12.439 -7.929 -4.458 1.00 0.00 C ATOM 618 NE ARG A 41 13.255 -6.835 -5.053 1.00 0.00 N ATOM 619 CZ ARG A 41 12.807 -6.173 -6.083 1.00 0.00 C ATOM 620 NH1 ARG A 41 12.536 -6.802 -7.194 1.00 0.00 N ATOM 621 NH2 ARG A 41 12.621 -4.884 -6.001 1.00 0.00 N ATOM 0 H ARG A 41 8.184 -7.518 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 41 10.511 -9.376 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.382 -6.695 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.761 -6.561 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.922 -6.694 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.627 -8.374 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.931 -8.895 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.467 -8.007 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 41 14.165 -6.603 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.675 -7.811 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.185 -6.285 -8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.826 -4.393 -5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.270 -4.367 -6.807 1.00 0.00 H new ATOM 635 N MET A 42 10.417 -10.017 -0.531 1.00 0.00 N ATOM 636 CA MET A 42 10.422 -10.372 0.917 1.00 0.00 C ATOM 637 C MET A 42 11.275 -9.374 1.704 1.00 0.00 C ATOM 638 O MET A 42 11.006 -9.083 2.853 1.00 0.00 O ATOM 639 CB MET A 42 11.037 -11.770 0.980 1.00 0.00 C ATOM 640 CG MET A 42 10.303 -12.693 0.007 1.00 0.00 C ATOM 641 SD MET A 42 11.487 -13.391 -1.171 1.00 0.00 S ATOM 642 CE MET A 42 10.610 -14.945 -1.475 1.00 0.00 C ATOM 0 H MET A 42 10.718 -10.760 -1.161 1.00 0.00 H new ATOM 0 HA MET A 42 9.423 -10.346 1.352 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.096 -11.725 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.968 -12.164 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.803 -13.493 0.554 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.529 -12.138 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.173 -15.547 -2.188 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.507 -15.494 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.621 -14.731 -1.881 1.00 0.00 H new ATOM 652 N GLN A 43 12.302 -8.848 1.094 1.00 0.00 N ATOM 653 CA GLN A 43 13.175 -7.869 1.803 1.00 0.00 C ATOM 654 C GLN A 43 12.456 -6.524 1.954 1.00 0.00 C ATOM 655 O GLN A 43 12.152 -6.093 3.048 1.00 0.00 O ATOM 656 CB GLN A 43 14.406 -7.720 0.907 1.00 0.00 C ATOM 657 CG GLN A 43 15.428 -6.811 1.592 1.00 0.00 C ATOM 658 CD GLN A 43 16.557 -6.477 0.613 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.277 -7.353 0.177 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.742 -5.237 0.249 1.00 0.00 N ATOM 0 H GLN A 43 12.575 -9.054 0.133 1.00 0.00 H new ATOM 0 HA GLN A 43 13.436 -8.201 2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.847 -8.697 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.119 -7.300 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.945 -5.895 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.833 -7.304 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.137 -4.502 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.492 -5.003 -0.402 1.00 0.00 H new ATOM 669 N GLU A 44 12.186 -5.857 0.865 1.00 0.00 N ATOM 670 CA GLU A 44 11.493 -4.541 0.949 1.00 0.00 C ATOM 671 C GLU A 44 10.113 -4.712 1.585 1.00 0.00 C ATOM 672 O GLU A 44 9.754 -4.010 2.511 1.00 0.00 O ATOM 673 CB GLU A 44 11.363 -4.068 -0.498 1.00 0.00 C ATOM 674 CG GLU A 44 12.602 -3.259 -0.886 1.00 0.00 C ATOM 675 CD GLU A 44 12.841 -3.383 -2.392 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.283 -2.586 -3.129 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.576 -4.274 -2.784 1.00 0.00 O ATOM 0 H GLU A 44 12.416 -6.167 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 44 12.039 -3.825 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.253 -4.925 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.467 -3.458 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.466 -2.212 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.472 -3.621 -0.338 1.00 0.00 H new ATOM 684 N ALA A 45 9.337 -5.641 1.096 1.00 0.00 N ATOM 685 CA ALA A 45 7.980 -5.858 1.675 1.00 0.00 C ATOM 686 C ALA A 45 8.053 -5.796 3.202 1.00 0.00 C ATOM 687 O ALA A 45 7.310 -5.084 3.843 1.00 0.00 O ATOM 688 CB ALA A 45 7.571 -7.256 1.211 1.00 0.00 C ATOM 0 H ALA A 45 9.583 -6.258 0.322 1.00 0.00 H new ATOM 0 HA ALA A 45 7.263 -5.101 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.579 -7.492 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.553 -7.287 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.289 -7.987 1.583 1.00 0.00 H new ATOM 694 N LEU A 46 8.956 -6.530 3.785 1.00 0.00 N ATOM 695 CA LEU A 46 9.100 -6.516 5.266 1.00 0.00 C ATOM 696 C LEU A 46 9.218 -5.076 5.765 1.00 0.00 C ATOM 697 O LEU A 46 8.674 -4.711 6.789 1.00 0.00 O ATOM 698 CB LEU A 46 10.399 -7.278 5.525 1.00 0.00 C ATOM 699 CG LEU A 46 10.768 -7.184 7.004 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.647 -8.377 7.385 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.539 -5.885 7.251 1.00 0.00 C ATOM 0 H LEU A 46 9.606 -7.144 3.295 1.00 0.00 H new ATOM 0 HA LEU A 46 8.247 -6.962 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.283 -8.322 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.202 -6.865 4.914 1.00 0.00 H new ATOM 0 HG LEU A 46 9.861 -7.192 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.911 -8.312 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.102 -9.303 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.555 -8.367 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.804 -5.814 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.447 -5.880 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.916 -5.034 6.976 1.00 0.00 H new ATOM 713 N ASP A 47 9.936 -4.260 5.047 1.00 0.00 N ATOM 714 CA ASP A 47 10.109 -2.842 5.468 1.00 0.00 C ATOM 715 C ASP A 47 8.773 -2.090 5.417 1.00 0.00 C ATOM 716 O ASP A 47 8.599 -1.081 6.068 1.00 0.00 O ATOM 717 CB ASP A 47 11.096 -2.249 4.462 1.00 0.00 C ATOM 718 CG ASP A 47 12.273 -1.618 5.211 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.649 -2.153 6.241 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.777 -0.612 4.741 1.00 0.00 O ATOM 0 H ASP A 47 10.413 -4.515 4.182 1.00 0.00 H new ATOM 0 HA ASP A 47 10.469 -2.764 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.455 -3.026 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.598 -1.499 3.847 1.00 0.00 H new ATOM 725 N ILE A 48 7.827 -2.560 4.649 1.00 0.00 N ATOM 726 CA ILE A 48 6.522 -1.847 4.576 1.00 0.00 C ATOM 727 C ILE A 48 5.625 -2.259 5.736 1.00 0.00 C ATOM 728 O ILE A 48 4.734 -1.545 6.107 1.00 0.00 O ATOM 729 CB ILE A 48 5.866 -2.245 3.238 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.966 -3.477 3.434 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.939 -2.543 2.199 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.658 -4.134 2.086 1.00 0.00 C ATOM 0 H ILE A 48 7.901 -3.399 4.074 1.00 0.00 H new ATOM 0 HA ILE A 48 6.669 -0.769 4.637 1.00 0.00 H new ATOM 0 HB ILE A 48 5.254 -1.415 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.458 -4.194 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.037 -3.183 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.466 -2.823 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.554 -1.656 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.566 -3.363 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.020 -5.004 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.145 -3.420 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.589 -4.447 1.613 1.00 0.00 H new ATOM 744 N ALA A 49 5.815 -3.422 6.282 1.00 0.00 N ATOM 745 CA ALA A 49 4.917 -3.849 7.384 1.00 0.00 C ATOM 746 C ALA A 49 5.498 -3.503 8.759 1.00 0.00 C ATOM 747 O ALA A 49 4.947 -2.707 9.494 1.00 0.00 O ATOM 748 CB ALA A 49 4.783 -5.363 7.224 1.00 0.00 C ATOM 0 H ALA A 49 6.542 -4.087 6.019 1.00 0.00 H new ATOM 0 HA ALA A 49 3.956 -3.338 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.132 -5.755 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.355 -5.589 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.766 -5.826 7.305 1.00 0.00 H new ATOM 754 N ARG A 50 6.587 -4.120 9.122 1.00 0.00 N ATOM 755 CA ARG A 50 7.191 -3.864 10.462 1.00 0.00 C ATOM 756 C ARG A 50 7.658 -2.409 10.617 1.00 0.00 C ATOM 757 O ARG A 50 8.098 -2.009 11.676 1.00 0.00 O ATOM 758 CB ARG A 50 8.377 -4.825 10.537 1.00 0.00 C ATOM 759 CG ARG A 50 7.859 -6.264 10.481 1.00 0.00 C ATOM 760 CD ARG A 50 8.914 -7.164 9.836 1.00 0.00 C ATOM 761 NE ARG A 50 9.320 -8.106 10.915 1.00 0.00 N ATOM 762 CZ ARG A 50 10.535 -8.579 10.945 1.00 0.00 C ATOM 763 NH1 ARG A 50 11.553 -7.764 11.017 1.00 0.00 N ATOM 764 NH2 ARG A 50 10.733 -9.868 10.906 1.00 0.00 N ATOM 0 H ARG A 50 7.089 -4.795 8.545 1.00 0.00 H new ATOM 0 HA ARG A 50 6.468 -4.021 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.064 -4.640 9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.936 -4.662 11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.630 -6.618 11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.932 -6.306 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.507 -7.698 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.764 -6.583 9.477 1.00 0.00 H new ATOM 0 HE ARG A 50 8.648 -8.382 11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.398 -6.756 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.503 -8.135 11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.938 -10.505 10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.683 -10.239 10.929 1.00 0.00 H new ATOM 778 N LYS A 51 7.574 -1.611 9.588 1.00 0.00 N ATOM 779 CA LYS A 51 8.022 -0.197 9.719 1.00 0.00 C ATOM 780 C LYS A 51 6.941 0.646 10.405 1.00 0.00 C ATOM 781 O LYS A 51 7.214 1.390 11.327 1.00 0.00 O ATOM 782 CB LYS A 51 8.252 0.282 8.288 1.00 0.00 C ATOM 783 CG LYS A 51 8.497 1.793 8.285 1.00 0.00 C ATOM 784 CD LYS A 51 9.674 2.125 9.208 1.00 0.00 C ATOM 785 CE LYS A 51 10.965 1.538 8.630 1.00 0.00 C ATOM 786 NZ LYS A 51 11.815 1.232 9.817 1.00 0.00 N ATOM 0 H LYS A 51 7.217 -1.875 8.669 1.00 0.00 H new ATOM 0 HA LYS A 51 8.922 -0.107 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.107 -0.236 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.387 0.043 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.709 2.135 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.601 2.317 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.771 3.205 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.493 1.720 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.764 0.640 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.457 2.247 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.719 0.826 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.996 2.107 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.324 0.550 10.429 1.00 0.00 H new ATOM 800 N GLY A 52 5.715 0.525 9.975 1.00 0.00 N ATOM 801 CA GLY A 52 4.621 1.310 10.617 1.00 0.00 C ATOM 802 C GLY A 52 4.620 2.754 10.100 1.00 0.00 C ATOM 803 O GLY A 52 3.594 3.281 9.717 1.00 0.00 O ATOM 0 H GLY A 52 5.423 -0.082 9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.659 0.842 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.749 1.305 11.699 1.00 0.00 H new ATOM 807 N GLN A 53 5.753 3.408 10.098 1.00 0.00 N ATOM 808 CA GLN A 53 5.793 4.824 9.619 1.00 0.00 C ATOM 809 C GLN A 53 6.047 4.881 8.110 1.00 0.00 C ATOM 810 O GLN A 53 6.657 5.804 7.606 1.00 0.00 O ATOM 811 CB GLN A 53 6.948 5.474 10.384 1.00 0.00 C ATOM 812 CG GLN A 53 8.280 4.875 9.924 1.00 0.00 C ATOM 813 CD GLN A 53 9.336 5.979 9.865 1.00 0.00 C ATOM 814 OE1 GLN A 53 9.035 7.135 10.088 1.00 0.00 O ATOM 815 NE2 GLN A 53 10.570 5.672 9.573 1.00 0.00 N ATOM 0 H GLN A 53 6.648 3.026 10.405 1.00 0.00 H new ATOM 0 HA GLN A 53 4.847 5.337 9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.946 6.551 10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.820 5.318 11.455 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.596 4.090 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.165 4.413 8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.824 4.702 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.281 6.402 9.532 1.00 0.00 H new ATOM 824 N PHE A 54 5.581 3.905 7.386 1.00 0.00 N ATOM 825 CA PHE A 54 5.790 3.904 5.910 1.00 0.00 C ATOM 826 C PHE A 54 4.518 4.385 5.202 1.00 0.00 C ATOM 827 O PHE A 54 4.370 4.264 4.002 1.00 0.00 O ATOM 828 CB PHE A 54 6.106 2.451 5.566 1.00 0.00 C ATOM 829 CG PHE A 54 4.894 1.583 5.826 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.722 1.005 7.087 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.945 1.349 4.817 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.610 0.199 7.346 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.837 0.537 5.081 1.00 0.00 C ATOM 834 CZ PHE A 54 2.669 -0.035 6.342 1.00 0.00 C ATOM 0 H PHE A 54 5.063 3.106 7.751 1.00 0.00 H new ATOM 0 HA PHE A 54 6.590 4.573 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.402 2.372 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.948 2.102 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.451 1.182 7.864 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.070 1.794 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.479 -0.243 8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.109 0.352 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.811 -0.659 6.542 1.00 0.00 H new ATOM 844 N ASP A 55 3.615 4.948 5.953 1.00 0.00 N ATOM 845 CA ASP A 55 2.346 5.476 5.385 1.00 0.00 C ATOM 846 C ASP A 55 1.467 4.366 4.809 1.00 0.00 C ATOM 847 O ASP A 55 0.449 4.044 5.371 1.00 0.00 O ATOM 848 CB ASP A 55 2.763 6.446 4.289 1.00 0.00 C ATOM 849 CG ASP A 55 2.468 7.878 4.739 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.333 8.301 4.593 1.00 0.00 O ATOM 851 OD2 ASP A 55 3.380 8.527 5.222 1.00 0.00 O ATOM 0 H ASP A 55 3.707 5.067 6.962 1.00 0.00 H new ATOM 0 HA ASP A 55 1.748 5.957 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.825 6.333 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.224 6.224 3.368 1.00 0.00 H new ATOM 856 N ILE A 56 1.826 3.803 3.683 1.00 0.00 N ATOM 857 CA ILE A 56 0.954 2.741 3.070 1.00 0.00 C ATOM 858 C ILE A 56 1.773 1.596 2.447 1.00 0.00 C ATOM 859 O ILE A 56 2.900 1.781 2.034 1.00 0.00 O ATOM 860 CB ILE A 56 0.186 3.482 1.979 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.636 4.613 2.606 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.742 2.508 1.257 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.289 5.445 1.500 1.00 0.00 C ATOM 0 H ILE A 56 2.674 4.026 3.162 1.00 0.00 H new ATOM 0 HA ILE A 56 0.315 2.271 3.818 1.00 0.00 H new ATOM 0 HB ILE A 56 0.891 3.906 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.401 4.199 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.005 5.245 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.290 3.038 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.152 1.709 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.447 2.081 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.874 6.249 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.516 5.870 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.943 4.809 0.904 1.00 0.00 H new ATOM 875 N ALA A 57 1.205 0.405 2.375 1.00 0.00 N ATOM 876 CA ALA A 57 1.957 -0.750 1.773 1.00 0.00 C ATOM 877 C ALA A 57 0.977 -1.800 1.254 1.00 0.00 C ATOM 878 O ALA A 57 -0.030 -2.061 1.871 1.00 0.00 O ATOM 879 CB ALA A 57 2.785 -1.334 2.908 1.00 0.00 C ATOM 0 H ALA A 57 0.264 0.187 2.704 1.00 0.00 H new ATOM 0 HA ALA A 57 2.578 -0.435 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.361 -2.183 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.465 -0.573 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.123 -1.665 3.708 1.00 0.00 H new ATOM 885 N ILE A 58 1.243 -2.419 0.134 1.00 0.00 N ATOM 886 CA ILE A 58 0.269 -3.436 -0.353 1.00 0.00 C ATOM 887 C ILE A 58 0.941 -4.683 -0.944 1.00 0.00 C ATOM 888 O ILE A 58 1.257 -4.741 -2.116 1.00 0.00 O ATOM 889 CB ILE A 58 -0.552 -2.719 -1.422 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.345 -1.584 -0.773 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.522 -3.710 -2.067 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.456 -0.346 -0.660 1.00 0.00 C ATOM 0 H ILE A 58 2.067 -2.271 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.335 -3.807 0.475 1.00 0.00 H new ATOM 0 HB ILE A 58 0.114 -2.313 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.230 -1.357 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.693 -1.887 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.109 -3.200 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.960 -4.524 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.189 -4.114 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.019 0.465 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.415 -0.578 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.130 -0.040 -1.654 1.00 0.00 H new ATOM 904 N ILE A 59 1.087 -5.704 -0.144 1.00 0.00 N ATOM 905 CA ILE A 59 1.648 -6.993 -0.635 1.00 0.00 C ATOM 906 C ILE A 59 0.475 -7.765 -1.222 1.00 0.00 C ATOM 907 O ILE A 59 0.020 -8.753 -0.680 1.00 0.00 O ATOM 908 CB ILE A 59 2.213 -7.698 0.604 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.358 -6.862 1.174 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.741 -9.076 0.210 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.575 -7.223 2.645 1.00 0.00 C ATOM 0 H ILE A 59 0.837 -5.698 0.845 1.00 0.00 H new ATOM 0 HA ILE A 59 2.429 -6.891 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 59 1.428 -7.811 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.271 -7.042 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.129 -5.801 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.143 -9.577 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.929 -9.671 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.529 -8.964 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.392 -6.626 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.664 -7.020 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.824 -8.281 2.727 1.00 0.00 H new ATOM 923 N ASP A 60 -0.059 -7.263 -2.299 1.00 0.00 N ATOM 924 CA ASP A 60 -1.257 -7.895 -2.909 1.00 0.00 C ATOM 925 C ASP A 60 -0.922 -9.214 -3.597 1.00 0.00 C ATOM 926 O ASP A 60 0.223 -9.570 -3.752 1.00 0.00 O ATOM 927 CB ASP A 60 -1.778 -6.843 -3.917 1.00 0.00 C ATOM 928 CG ASP A 60 -1.645 -7.339 -5.366 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.390 -8.233 -5.735 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.806 -6.814 -6.078 1.00 0.00 O ATOM 0 H ASP A 60 0.287 -6.436 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.004 -8.155 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.823 -6.618 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.220 -5.914 -3.796 1.00 0.00 H new ATOM 935 N VAL A 61 -1.952 -9.906 -4.029 1.00 0.00 N ATOM 936 CA VAL A 61 -1.801 -11.205 -4.755 1.00 0.00 C ATOM 937 C VAL A 61 -1.697 -12.397 -3.780 1.00 0.00 C ATOM 938 O VAL A 61 -0.652 -12.961 -3.540 1.00 0.00 O ATOM 939 CB VAL A 61 -0.576 -11.030 -5.670 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.694 -11.656 -5.075 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.869 -11.685 -7.022 1.00 0.00 C ATOM 0 H VAL A 61 -2.920 -9.612 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.678 -11.446 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.395 -9.961 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.529 -11.505 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.919 -11.184 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.537 -12.724 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.007 -11.567 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.071 -12.746 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.738 -11.209 -7.476 1.00 0.00 H new ATOM 951 N ASN A 62 -2.805 -12.805 -3.225 1.00 0.00 N ATOM 952 CA ASN A 62 -2.774 -13.967 -2.292 1.00 0.00 C ATOM 953 C ASN A 62 -3.414 -15.184 -2.958 1.00 0.00 C ATOM 954 O ASN A 62 -4.359 -15.759 -2.455 1.00 0.00 O ATOM 955 CB ASN A 62 -3.571 -13.541 -1.062 1.00 0.00 C ATOM 956 CG ASN A 62 -2.599 -13.220 0.077 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.600 -12.409 -0.146 1.00 0.00 O flip ATOM 958 ND2 ASN A 62 -2.751 -13.707 1.180 1.00 0.00 N flip ATOM 0 H ASN A 62 -3.724 -12.388 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.755 -14.245 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.181 -12.668 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.253 -14.336 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.531 -14.340 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.098 -13.482 1.931 1.00 0.00 H new ATOM 965 N LEU A 63 -2.896 -15.580 -4.087 1.00 0.00 N ATOM 966 CA LEU A 63 -3.458 -16.760 -4.798 1.00 0.00 C ATOM 967 C LEU A 63 -2.321 -17.628 -5.336 1.00 0.00 C ATOM 968 O LEU A 63 -1.228 -17.157 -5.576 1.00 0.00 O ATOM 969 CB LEU A 63 -4.284 -16.180 -5.949 1.00 0.00 C ATOM 970 CG LEU A 63 -5.743 -16.614 -5.797 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.370 -15.883 -4.609 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.517 -16.269 -7.072 1.00 0.00 C ATOM 0 H LEU A 63 -2.104 -15.134 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.064 -17.389 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.215 -15.092 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.888 -16.524 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.785 -17.690 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.410 -16.191 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.821 -16.129 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.327 -14.807 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.556 -16.579 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.475 -15.193 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.071 -16.789 -7.920 1.00 0.00 H new ATOM 984 N ASP A 64 -2.568 -18.891 -5.526 1.00 0.00 N ATOM 985 CA ASP A 64 -1.499 -19.787 -6.049 1.00 0.00 C ATOM 986 C ASP A 64 -0.361 -19.915 -5.033 1.00 0.00 C ATOM 987 O ASP A 64 0.714 -20.383 -5.354 1.00 0.00 O ATOM 988 CB ASP A 64 -1.001 -19.104 -7.324 1.00 0.00 C ATOM 989 CG ASP A 64 -1.094 -20.078 -8.503 1.00 0.00 C ATOM 990 OD1 ASP A 64 -1.454 -21.222 -8.277 1.00 0.00 O ATOM 991 OD2 ASP A 64 -0.803 -19.661 -9.612 1.00 0.00 O ATOM 0 H ASP A 64 -3.463 -19.344 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.866 -20.796 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.597 -18.214 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.030 -18.775 -7.193 1.00 0.00 H new ATOM 996 N GLY A 65 -0.581 -19.512 -3.809 1.00 0.00 N ATOM 997 CA GLY A 65 0.504 -19.629 -2.793 1.00 0.00 C ATOM 998 C GLY A 65 0.240 -18.697 -1.610 1.00 0.00 C ATOM 999 O GLY A 65 0.757 -18.897 -0.528 1.00 0.00 O ATOM 0 H GLY A 65 -1.456 -19.111 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.571 -20.659 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.463 -19.384 -3.248 1.00 0.00 H new ATOM 1003 N GLU A 66 -0.544 -17.676 -1.800 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.814 -16.736 -0.677 1.00 0.00 C ATOM 1005 C GLU A 66 0.509 -16.155 -0.167 1.00 0.00 C ATOM 1006 O GLU A 66 0.839 -16.274 0.996 1.00 0.00 O ATOM 1007 CB GLU A 66 -1.483 -17.585 0.404 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.999 -16.677 1.523 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.918 -17.478 2.446 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.670 -18.661 2.615 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.856 -16.897 2.967 1.00 0.00 O ATOM 0 H GLU A 66 -1.009 -17.451 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.444 -15.898 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.307 -18.155 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.772 -18.307 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.162 -16.269 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.539 -15.831 1.099 1.00 0.00 H new ATOM 1018 N PRO A 67 1.225 -15.556 -1.075 1.00 0.00 N ATOM 1019 CA PRO A 67 2.541 -14.955 -0.748 1.00 0.00 C ATOM 1020 C PRO A 67 2.372 -13.635 0.014 1.00 0.00 C ATOM 1021 O PRO A 67 2.530 -12.564 -0.537 1.00 0.00 O ATOM 1022 CB PRO A 67 3.169 -14.715 -2.119 1.00 0.00 C ATOM 1023 CG PRO A 67 2.016 -14.596 -3.066 1.00 0.00 C ATOM 1024 CD PRO A 67 0.873 -15.387 -2.486 1.00 0.00 C ATOM 0 HA PRO A 67 3.149 -15.590 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.775 -13.809 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.826 -15.538 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.733 -13.552 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.287 -14.978 -4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.073 -14.858 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.762 -16.349 -2.986 1.00 0.00 H new ATOM 1032 N SER A 68 2.059 -13.705 1.279 1.00 0.00 N ATOM 1033 CA SER A 68 1.887 -12.455 2.080 1.00 0.00 C ATOM 1034 C SER A 68 2.755 -12.508 3.345 1.00 0.00 C ATOM 1035 O SER A 68 2.757 -11.596 4.146 1.00 0.00 O ATOM 1036 CB SER A 68 0.405 -12.423 2.447 1.00 0.00 C ATOM 1037 OG SER A 68 -0.136 -11.158 2.094 1.00 0.00 O ATOM 0 H SER A 68 1.914 -14.573 1.795 1.00 0.00 H new ATOM 0 HA SER A 68 2.190 -11.566 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.128 -13.218 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.279 -12.601 3.515 1.00 0.00 H new ATOM 0 HG SER A 68 -0.717 -11.258 1.311 1.00 0.00 H new ATOM 1043 N TYR A 69 3.489 -13.574 3.521 1.00 0.00 N ATOM 1044 CA TYR A 69 4.364 -13.721 4.725 1.00 0.00 C ATOM 1045 C TYR A 69 3.574 -13.435 5.998 1.00 0.00 C ATOM 1046 O TYR A 69 2.458 -12.948 5.957 1.00 0.00 O ATOM 1047 CB TYR A 69 5.519 -12.710 4.597 1.00 0.00 C ATOM 1048 CG TYR A 69 5.497 -11.996 3.265 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.744 -12.708 2.091 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.242 -10.620 3.211 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.740 -12.045 0.861 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.233 -9.957 1.981 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.485 -10.671 0.803 1.00 0.00 C ATOM 1054 OH TYR A 69 5.489 -10.024 -0.416 1.00 0.00 O ATOM 0 H TYR A 69 3.521 -14.361 2.873 1.00 0.00 H new ATOM 0 HA TYR A 69 4.746 -14.740 4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.452 -11.978 5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.470 -13.229 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.938 -13.770 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.052 -10.071 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.934 -12.595 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.032 -8.897 1.939 1.00 0.00 H new ATOM 0 HH TYR A 69 5.209 -10.648 -1.118 1.00 0.00 H new ATOM 1064 N PRO A 70 4.193 -13.744 7.097 1.00 0.00 N ATOM 1065 CA PRO A 70 3.554 -13.515 8.404 1.00 0.00 C ATOM 1066 C PRO A 70 3.536 -12.020 8.718 1.00 0.00 C ATOM 1067 O PRO A 70 2.992 -11.598 9.715 1.00 0.00 O ATOM 1068 CB PRO A 70 4.448 -14.269 9.381 1.00 0.00 C ATOM 1069 CG PRO A 70 5.785 -14.335 8.713 1.00 0.00 C ATOM 1070 CD PRO A 70 5.535 -14.328 7.227 1.00 0.00 C ATOM 0 HA PRO A 70 2.518 -13.852 8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.511 -13.752 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.058 -15.267 9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.404 -13.486 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.321 -15.237 9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.282 -13.735 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.575 -15.334 6.810 1.00 0.00 H new ATOM 1078 N VAL A 71 4.122 -11.205 7.878 1.00 0.00 N ATOM 1079 CA VAL A 71 4.109 -9.748 8.168 1.00 0.00 C ATOM 1080 C VAL A 71 2.944 -9.059 7.444 1.00 0.00 C ATOM 1081 O VAL A 71 2.108 -8.451 8.082 1.00 0.00 O ATOM 1082 CB VAL A 71 5.474 -9.198 7.748 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.576 -10.027 8.409 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.638 -9.260 6.233 1.00 0.00 C ATOM 0 H VAL A 71 4.599 -11.482 7.020 1.00 0.00 H new ATOM 0 HA VAL A 71 3.949 -9.554 9.229 1.00 0.00 H new ATOM 0 HB VAL A 71 5.544 -8.157 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.551 -9.639 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.476 -9.967 9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.488 -11.067 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.615 -8.864 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.558 -10.295 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.858 -8.665 5.758 1.00 0.00 H new ATOM 1094 N ALA A 72 2.834 -9.160 6.135 1.00 0.00 N ATOM 1095 CA ALA A 72 1.675 -8.519 5.469 1.00 0.00 C ATOM 1096 C ALA A 72 0.421 -8.935 6.227 1.00 0.00 C ATOM 1097 O ALA A 72 -0.448 -8.134 6.511 1.00 0.00 O ATOM 1098 CB ALA A 72 1.670 -9.086 4.058 1.00 0.00 C ATOM 0 H ALA A 72 3.486 -9.649 5.521 1.00 0.00 H new ATOM 0 HA ALA A 72 1.720 -7.430 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.838 -8.659 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.608 -8.836 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.560 -10.170 4.102 1.00 0.00 H new ATOM 1104 N ASP A 73 0.351 -10.186 6.598 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.816 -10.654 7.387 1.00 0.00 C ATOM 1106 C ASP A 73 -0.866 -9.862 8.688 1.00 0.00 C ATOM 1107 O ASP A 73 -1.870 -9.275 9.041 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.534 -12.120 7.668 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.158 -12.982 6.571 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.660 -12.415 5.614 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.125 -14.194 6.705 1.00 0.00 O ATOM 0 H ASP A 73 1.050 -10.898 6.388 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.768 -10.522 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.541 -12.292 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.941 -12.399 8.640 1.00 0.00 H new ATOM 1116 N ILE A 74 0.235 -9.822 9.384 1.00 0.00 N ATOM 1117 CA ILE A 74 0.291 -9.040 10.655 1.00 0.00 C ATOM 1118 C ILE A 74 -0.207 -7.636 10.348 1.00 0.00 C ATOM 1119 O ILE A 74 -1.008 -7.061 11.059 1.00 0.00 O ATOM 1120 CB ILE A 74 1.782 -9.021 11.052 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.071 -10.140 12.061 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.154 -7.678 11.695 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.351 -11.425 11.650 1.00 0.00 C ATOM 0 H ILE A 74 1.101 -10.297 9.129 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.316 -9.456 11.459 1.00 0.00 H new ATOM 0 HB ILE A 74 2.373 -9.168 10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.145 -10.319 12.118 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.746 -9.835 13.056 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.209 -7.685 11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.968 -6.871 10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.549 -7.523 12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.565 -12.210 12.375 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.276 -11.245 11.617 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.697 -11.737 10.665 1.00 0.00 H new ATOM 1135 N LEU A 75 0.275 -7.097 9.272 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.131 -5.741 8.854 1.00 0.00 C ATOM 1137 C LEU A 75 -1.648 -5.686 8.656 1.00 0.00 C ATOM 1138 O LEU A 75 -2.274 -4.661 8.845 1.00 0.00 O ATOM 1139 CB LEU A 75 0.616 -5.538 7.539 1.00 0.00 C ATOM 1140 CG LEU A 75 0.802 -4.049 7.289 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.791 -3.494 8.315 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.356 -3.848 5.879 1.00 0.00 C ATOM 0 H LEU A 75 0.947 -7.551 8.653 1.00 0.00 H new ATOM 0 HA LEU A 75 0.103 -4.967 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.585 -6.035 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.059 -5.989 6.718 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.151 -3.529 7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.932 -2.427 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.400 -3.653 9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.747 -4.007 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.493 -2.783 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.315 -4.359 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.656 -4.259 5.151 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.244 -6.785 8.284 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.714 -6.809 8.082 1.00 0.00 C ATOM 1156 C ALA A 76 -4.412 -7.244 9.374 1.00 0.00 C ATOM 1157 O ALA A 76 -5.590 -7.018 9.560 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.942 -7.834 6.972 1.00 0.00 C ATOM 0 H ALA A 76 -1.770 -7.671 8.111 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.116 -5.831 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.009 -7.912 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.417 -7.517 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.563 -8.805 7.290 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.689 -7.865 10.267 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.302 -8.311 11.547 1.00 0.00 C ATOM 1166 C GLU A 77 -4.610 -7.099 12.431 1.00 0.00 C ATOM 1167 O GLU A 77 -5.733 -6.888 12.846 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.243 -9.197 12.201 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.362 -10.624 11.661 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.400 -11.395 12.478 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -4.953 -10.813 13.396 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -4.625 -12.554 12.170 1.00 0.00 O ATOM 0 H GLU A 77 -2.698 -8.082 10.163 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.242 -8.842 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.248 -8.802 11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.371 -9.195 13.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.653 -10.603 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.396 -11.126 11.714 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.619 -6.297 12.716 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.847 -5.096 13.563 1.00 0.00 C ATOM 1181 C ARG A 78 -4.120 -3.880 12.673 1.00 0.00 C ATOM 1182 O ARG A 78 -4.827 -2.966 13.049 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.555 -4.908 14.362 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.376 -4.691 13.408 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.173 -5.509 13.888 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.646 -6.924 13.907 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.207 -7.748 14.820 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.897 -7.483 15.465 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -0.869 -8.841 15.089 1.00 0.00 N ATOM 0 H ARG A 78 -2.659 -6.425 12.396 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.707 -5.211 14.223 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.653 -4.054 15.032 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.373 -5.783 14.986 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.653 -4.990 12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.117 -3.633 13.368 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.679 -5.387 13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.151 -5.189 14.878 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.313 -7.248 13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.418 -6.631 15.256 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.238 -8.128 16.178 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.731 -9.052 14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.524 -9.483 15.802 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.575 -3.882 11.487 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.798 -2.757 10.539 1.00 0.00 C ATOM 1205 C ASN A 79 -3.455 -1.399 11.171 1.00 0.00 C ATOM 1206 O ASN A 79 -4.024 -0.986 12.161 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.282 -2.833 10.195 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.667 -4.285 9.902 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.574 -4.735 8.776 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.099 -5.041 10.875 1.00 0.00 N ATOM 0 H ASN A 79 -2.976 -4.627 11.131 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.158 -2.840 9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.878 -2.448 11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.498 -2.207 9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.359 -6.010 10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.177 -4.663 11.819 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.533 -0.701 10.570 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.120 0.645 11.067 1.00 0.00 C ATOM 1219 C VAL A 80 -2.438 1.656 9.945 1.00 0.00 C ATOM 1220 O VAL A 80 -3.021 1.263 8.960 1.00 0.00 O ATOM 1221 CB VAL A 80 -0.611 0.453 11.330 1.00 0.00 C ATOM 1222 CG1 VAL A 80 0.241 1.047 10.201 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.229 1.088 12.670 1.00 0.00 C ATOM 0 H VAL A 80 -2.036 -1.013 9.736 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.618 1.018 11.962 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.411 -0.618 11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.297 0.892 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.008 0.556 9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.041 2.115 10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.837 0.948 12.848 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.456 2.154 12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.796 0.615 13.472 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.059 2.910 10.072 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.357 3.859 8.972 1.00 0.00 C ATOM 1235 C PRO A 81 -1.658 3.348 7.718 1.00 0.00 C ATOM 1236 O PRO A 81 -0.452 3.219 7.675 1.00 0.00 O ATOM 1237 CB PRO A 81 -1.803 5.188 9.471 1.00 0.00 C ATOM 1238 CG PRO A 81 -0.784 4.799 10.487 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.328 3.564 11.161 1.00 0.00 C ATOM 0 HA PRO A 81 -3.412 3.965 8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.357 5.764 8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.586 5.807 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.179 4.597 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.625 5.601 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.532 2.931 11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.981 3.812 11.998 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.425 3.010 6.721 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.854 2.431 5.472 1.00 0.00 C ATOM 1249 C PHE A 82 -2.977 2.010 4.534 1.00 0.00 C ATOM 1250 O PHE A 82 -4.047 2.580 4.514 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.084 1.181 5.930 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.042 0.056 6.301 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.383 0.322 6.635 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.574 -1.263 6.325 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.241 -0.724 6.992 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.437 -2.309 6.681 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.768 -2.039 7.015 1.00 0.00 C ATOM 0 H PHE A 82 -3.440 3.112 6.718 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.223 3.145 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.417 0.848 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.458 1.429 6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.751 1.337 6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.547 -1.475 6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.269 -0.515 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.073 -3.326 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.430 -2.846 7.291 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.732 0.977 3.799 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.744 0.425 2.875 1.00 0.00 C ATOM 1269 C ILE A 83 -3.232 -0.934 2.447 1.00 0.00 C ATOM 1270 O ILE A 83 -2.033 -1.175 2.470 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.801 1.401 1.708 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.067 2.252 1.806 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.814 0.648 0.367 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -4.894 3.512 0.958 1.00 0.00 C ATOM 0 H ILE A 83 -1.844 0.475 3.800 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.739 0.307 3.303 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.916 2.036 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.930 1.683 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.258 2.522 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.855 1.365 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.909 0.047 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.687 -0.003 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.795 4.122 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.041 4.083 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.723 3.231 -0.081 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.105 -1.818 2.077 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.645 -3.162 1.675 1.00 0.00 C ATOM 1288 C PHE A 84 -4.642 -3.816 0.720 1.00 0.00 C ATOM 1289 O PHE A 84 -5.747 -3.339 0.499 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.573 -3.924 2.991 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.596 -5.063 2.872 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.223 -4.806 2.785 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.065 -6.379 2.850 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.321 -5.871 2.674 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.163 -7.441 2.738 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.794 -7.188 2.651 1.00 0.00 C ATOM 0 H PHE A 84 -5.113 -1.667 2.036 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.693 -3.143 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.266 -3.253 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.559 -4.306 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.860 -3.789 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.125 -6.576 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.739 -5.676 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.526 -8.458 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.098 -8.010 2.566 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.264 -4.910 0.142 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.190 -5.577 -0.790 1.00 0.00 C ATOM 1308 C ALA A 85 -4.585 -6.884 -1.300 1.00 0.00 C ATOM 1309 O ALA A 85 -3.494 -6.893 -1.809 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.358 -4.579 -1.934 1.00 0.00 C ATOM 0 H ALA A 85 -3.362 -5.367 0.274 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.140 -5.837 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.036 -4.992 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.770 -3.647 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.388 -4.384 -2.392 1.00 0.00 H new ATOM 1316 N THR A 86 -5.285 -7.986 -1.169 1.00 0.00 N ATOM 1317 CA THR A 86 -4.735 -9.295 -1.657 1.00 0.00 C ATOM 1318 C THR A 86 -5.770 -10.415 -1.510 1.00 0.00 C ATOM 1319 O THR A 86 -6.337 -10.613 -0.458 1.00 0.00 O ATOM 1320 CB THR A 86 -3.510 -9.627 -0.790 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.629 -10.947 -0.292 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.363 -8.675 0.395 1.00 0.00 C ATOM 0 H THR A 86 -6.212 -8.038 -0.746 1.00 0.00 H new ATOM 0 HA THR A 86 -4.473 -9.215 -2.712 1.00 0.00 H new ATOM 0 HB THR A 86 -2.629 -9.523 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.821 -11.181 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.483 -8.951 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.251 -7.654 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.250 -8.739 1.026 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.984 -11.165 -2.557 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.949 -12.310 -2.517 1.00 0.00 C ATOM 1332 C GLY A 87 -8.206 -11.999 -1.685 1.00 0.00 C ATOM 1333 O GLY A 87 -8.911 -12.905 -1.295 1.00 0.00 O ATOM 0 H GLY A 87 -5.523 -11.032 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.246 -12.565 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.450 -13.186 -2.101 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.515 -10.751 -1.430 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.743 -10.426 -0.646 1.00 0.00 C ATOM 1339 C TYR A 88 -9.753 -8.941 -0.274 1.00 0.00 C ATOM 1340 O TYR A 88 -10.797 -8.365 -0.038 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.712 -11.297 0.622 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.393 -11.142 1.344 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.155 -9.999 2.111 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.418 -12.145 1.260 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.942 -9.851 2.794 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.203 -11.998 1.946 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.966 -10.849 2.712 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.772 -10.704 3.388 1.00 0.00 O ATOM 0 H TYR A 88 -7.968 -9.944 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.642 -10.626 -1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.530 -11.014 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.866 -12.343 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.908 -9.228 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.602 -13.030 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.760 -8.965 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.451 -12.770 1.884 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.207 -11.488 3.225 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.609 -8.304 -0.220 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.607 -6.855 0.136 1.00 0.00 C ATOM 1360 C GLY A 89 -8.301 -6.684 1.617 1.00 0.00 C ATOM 1361 O GLY A 89 -7.274 -6.158 1.996 1.00 0.00 O ATOM 0 H GLY A 89 -7.694 -8.716 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.864 -6.326 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.576 -6.413 -0.097 1.00 0.00 H new ATOM 1365 N SER A 90 -9.186 -7.124 2.457 1.00 0.00 N ATOM 1366 CA SER A 90 -8.951 -6.985 3.917 1.00 0.00 C ATOM 1367 C SER A 90 -10.048 -7.714 4.701 1.00 0.00 C ATOM 1368 O SER A 90 -11.188 -7.764 4.287 1.00 0.00 O ATOM 1369 CB SER A 90 -9.021 -5.483 4.183 1.00 0.00 C ATOM 1370 OG SER A 90 -7.763 -4.891 3.883 1.00 0.00 O ATOM 0 H SER A 90 -10.064 -7.575 2.198 1.00 0.00 H new ATOM 0 HA SER A 90 -7.998 -7.415 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.803 -5.031 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.283 -5.299 5.225 1.00 0.00 H new ATOM 0 HG SER A 90 -7.233 -5.508 3.337 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.718 -8.263 5.838 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.748 -8.962 6.652 1.00 0.00 C ATOM 1378 C LYS A 91 -11.169 -8.057 7.809 1.00 0.00 C ATOM 1379 O LYS A 91 -11.353 -8.491 8.928 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.095 -10.259 7.163 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.678 -9.996 7.694 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.726 -8.976 8.833 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.397 -8.992 9.591 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.490 -10.165 10.503 1.00 0.00 N ATOM 0 H LYS A 91 -8.779 -8.257 6.237 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.643 -9.196 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.708 -10.691 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.054 -10.991 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.235 -10.927 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.042 -9.625 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.917 -7.980 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.546 -9.211 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.554 -9.089 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.250 -8.068 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.468 -9.840 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.380 -10.673 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.687 -10.803 10.331 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.313 -6.790 7.536 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.704 -5.825 8.601 1.00 0.00 C ATOM 1400 C GLY A 92 -10.566 -4.820 8.784 1.00 0.00 C ATOM 1401 O GLY A 92 -10.488 -4.123 9.776 1.00 0.00 O ATOM 0 H GLY A 92 -11.175 -6.379 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.624 -5.310 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.900 -6.351 9.536 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.678 -4.750 7.827 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.531 -3.804 7.920 1.00 0.00 C ATOM 1407 C LEU A 93 -8.986 -2.467 8.511 1.00 0.00 C ATOM 1408 O LEU A 93 -9.854 -1.804 7.978 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.060 -3.632 6.474 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.210 -2.366 6.344 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.041 -2.631 5.391 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.069 -1.231 5.783 1.00 0.00 C ATOM 0 H LEU A 93 -9.700 -5.314 6.977 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.737 -4.171 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.480 -4.502 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.921 -3.571 5.808 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.826 -2.086 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.436 -1.729 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.427 -3.441 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.427 -2.911 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.464 -0.329 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.451 -1.514 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.905 -1.040 6.456 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.393 -2.061 9.600 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.775 -0.759 10.220 1.00 0.00 C ATOM 1426 C ASP A 94 -7.653 0.248 9.986 1.00 0.00 C ATOM 1427 O ASP A 94 -6.509 -0.123 9.816 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.950 -1.044 11.713 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.714 -1.767 12.246 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.656 -2.978 12.109 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -6.847 -1.098 12.783 1.00 0.00 O ATOM 0 H ASP A 94 -7.660 -2.575 10.088 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.689 -0.343 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.100 -0.111 12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.839 -1.654 11.875 1.00 0.00 H new ATOM 1436 N THR A 95 -7.961 1.513 9.952 1.00 0.00 N ATOM 1437 CA THR A 95 -6.893 2.517 9.698 1.00 0.00 C ATOM 1438 C THR A 95 -7.483 3.940 9.747 1.00 0.00 C ATOM 1439 O THR A 95 -8.677 4.131 9.620 1.00 0.00 O ATOM 1440 CB THR A 95 -6.374 2.131 8.300 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.271 1.246 8.438 1.00 0.00 O ATOM 1442 CG2 THR A 95 -5.932 3.359 7.514 1.00 0.00 C ATOM 0 H THR A 95 -8.898 1.893 10.088 1.00 0.00 H new ATOM 0 HA THR A 95 -6.092 2.519 10.437 1.00 0.00 H new ATOM 0 HB THR A 95 -7.186 1.648 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.988 0.936 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.571 3.052 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.776 4.038 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.132 3.867 8.052 1.00 0.00 H new ATOM 1450 N ARG A 96 -6.655 4.934 9.954 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.156 6.346 10.040 1.00 0.00 C ATOM 1452 C ARG A 96 -7.811 6.796 8.730 1.00 0.00 C ATOM 1453 O ARG A 96 -8.360 7.878 8.641 1.00 0.00 O ATOM 1454 CB ARG A 96 -5.909 7.191 10.306 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.421 6.970 11.740 1.00 0.00 C ATOM 1456 CD ARG A 96 -4.499 8.123 12.141 1.00 0.00 C ATOM 1457 NE ARG A 96 -4.097 7.829 13.545 1.00 0.00 N ATOM 1458 CZ ARG A 96 -3.706 8.798 14.329 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -2.509 9.301 14.201 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.514 9.268 15.239 1.00 0.00 N ATOM 0 H ARG A 96 -5.647 4.830 10.068 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.915 6.446 10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.122 6.924 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.134 8.246 10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.270 6.914 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.890 6.021 11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.630 8.179 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.013 9.082 12.071 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.127 6.871 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.877 8.938 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.206 10.058 14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.452 8.879 15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.208 10.025 15.851 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.750 5.991 7.716 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.358 6.380 6.418 1.00 0.00 C ATOM 1476 C TYR A 97 -9.881 6.286 6.517 1.00 0.00 C ATOM 1477 O TYR A 97 -10.564 7.289 6.487 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.805 5.366 5.408 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.310 5.579 5.213 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.603 6.484 6.024 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.629 4.872 4.209 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.229 6.677 5.830 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.257 5.071 4.018 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.558 5.971 4.827 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.205 6.166 4.636 1.00 0.00 O ATOM 0 H TYR A 97 -7.303 5.074 7.728 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.123 7.404 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.992 4.352 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.322 5.473 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.120 7.032 6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.165 4.174 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.688 7.371 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.737 4.527 3.243 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.706 5.438 5.062 1.00 0.00 H new ATOM 1495 N SER A 98 -10.393 5.081 6.663 1.00 0.00 N ATOM 1496 CA SER A 98 -11.883 4.844 6.795 1.00 0.00 C ATOM 1497 C SER A 98 -12.296 3.519 6.132 1.00 0.00 C ATOM 1498 O SER A 98 -13.462 3.293 5.876 1.00 0.00 O ATOM 1499 CB SER A 98 -12.593 5.995 6.076 1.00 0.00 C ATOM 1500 OG SER A 98 -12.818 7.057 6.994 1.00 0.00 O ATOM 0 H SER A 98 -9.832 4.230 6.698 1.00 0.00 H new ATOM 0 HA SER A 98 -12.152 4.794 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.988 6.345 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.541 5.651 5.662 1.00 0.00 H new ATOM 0 HG SER A 98 -12.000 7.589 7.085 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.369 2.644 5.838 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.751 1.359 5.184 1.00 0.00 C ATOM 1508 C ASN A 99 -12.481 1.644 3.871 1.00 0.00 C ATOM 1509 O ASN A 99 -13.694 1.635 3.805 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.677 0.666 6.185 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.995 0.625 7.553 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -10.706 0.814 7.633 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.641 0.415 8.561 1.00 0.00 N flip ATOM 0 H ASN A 99 -10.373 2.763 6.021 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.889 0.739 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.624 1.201 6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.905 -0.345 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.648 0.267 8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.176 0.387 9.468 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.747 1.908 2.826 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.404 2.206 1.514 1.00 0.00 C ATOM 1522 C ILE A 100 -11.688 1.504 0.345 1.00 0.00 C ATOM 1523 O ILE A 100 -12.329 0.836 -0.443 1.00 0.00 O ATOM 1524 CB ILE A 100 -12.349 3.737 1.335 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.381 4.442 2.699 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -13.557 4.195 0.514 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -10.962 4.554 3.262 1.00 0.00 C ATOM 0 H ILE A 100 -10.727 1.931 2.819 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.430 1.837 1.513 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.422 3.994 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.819 5.434 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.013 3.885 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.521 5.277 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.537 3.713 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.475 3.922 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -10.993 5.055 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.539 3.557 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.342 5.130 2.575 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.390 1.692 0.238 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.628 1.084 -0.873 1.00 0.00 C ATOM 1541 C PRO A 101 -9.034 -0.282 -0.500 1.00 0.00 C ATOM 1542 O PRO A 101 -7.843 -0.488 -0.616 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.506 2.091 -1.095 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.326 2.802 0.220 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.507 2.471 1.104 1.00 0.00 C ATOM 0 HA PRO A 101 -10.253 0.896 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.586 1.591 -1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.763 2.794 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.396 2.490 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.259 3.879 0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.202 1.899 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.999 3.373 1.467 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.833 -1.224 -0.077 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.253 -2.563 0.262 1.00 0.00 C ATOM 1555 C LEU A 102 -9.647 -3.590 -0.803 1.00 0.00 C ATOM 1556 O LEU A 102 -10.799 -3.684 -1.172 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.846 -2.975 1.618 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.965 -1.775 2.562 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.780 -0.829 2.364 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.274 -1.032 2.283 1.00 0.00 C ATOM 0 H LEU A 102 -10.841 -1.133 0.048 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.165 -2.515 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.829 -3.420 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.217 -3.739 2.075 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.962 -2.131 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.876 0.020 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.852 -1.359 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.767 -0.473 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.358 -0.178 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.281 -0.683 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.116 -1.705 2.444 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.708 -4.367 -1.293 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.060 -5.396 -2.339 1.00 0.00 C ATOM 1574 C LEU A 103 -7.809 -6.101 -2.907 1.00 0.00 C ATOM 1575 O LEU A 103 -6.986 -6.585 -2.177 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.855 -4.668 -3.450 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.158 -3.400 -4.006 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -7.884 -3.030 -3.237 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.810 -3.639 -5.477 1.00 0.00 C ATOM 0 H LEU A 103 -7.725 -4.338 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.663 -6.187 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.028 -5.363 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.833 -4.388 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.850 -2.566 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.442 -2.134 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.132 -2.840 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.171 -3.852 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.318 -2.755 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.141 -4.496 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.723 -3.837 -6.039 1.00 0.00 H new ATOM 1591 N THR A 104 -7.668 -6.199 -4.200 1.00 0.00 N ATOM 1592 CA THR A 104 -6.474 -6.897 -4.755 1.00 0.00 C ATOM 1593 C THR A 104 -5.682 -5.977 -5.694 1.00 0.00 C ATOM 1594 O THR A 104 -6.253 -5.126 -6.326 1.00 0.00 O ATOM 1595 CB THR A 104 -7.041 -8.095 -5.520 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.974 -8.906 -5.990 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.869 -7.600 -6.706 1.00 0.00 C ATOM 0 H THR A 104 -8.321 -5.830 -4.891 1.00 0.00 H new ATOM 0 HA THR A 104 -5.779 -7.199 -3.971 1.00 0.00 H new ATOM 0 HB THR A 104 -7.676 -8.681 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.337 -9.674 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.272 -8.454 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.689 -6.980 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.237 -7.012 -7.371 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.377 -6.188 -5.786 1.00 0.00 N ATOM 1606 CA LYS A 105 -3.463 -5.384 -6.693 1.00 0.00 C ATOM 1607 C LYS A 105 -3.902 -3.923 -6.912 1.00 0.00 C ATOM 1608 O LYS A 105 -5.058 -3.620 -7.088 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.426 -6.176 -8.006 1.00 0.00 C ATOM 1610 CG LYS A 105 -4.805 -6.213 -8.660 1.00 0.00 C ATOM 1611 CD LYS A 105 -5.275 -7.667 -8.744 1.00 0.00 C ATOM 1612 CE LYS A 105 -4.824 -8.273 -10.079 1.00 0.00 C ATOM 1613 NZ LYS A 105 -4.025 -9.483 -9.721 1.00 0.00 N ATOM 0 H LYS A 105 -3.891 -6.908 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.480 -5.272 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.708 -5.722 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.084 -7.193 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.513 -5.621 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.762 -5.773 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.864 -8.242 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.361 -7.715 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.681 -8.538 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.226 -7.563 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.686 -9.945 -10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.211 -9.201 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.621 -10.147 -9.186 1.00 0.00 H new ATOM 1627 N PRO A 106 -2.918 -3.052 -6.902 1.00 0.00 N ATOM 1628 CA PRO A 106 -3.162 -1.595 -7.105 1.00 0.00 C ATOM 1629 C PRO A 106 -3.802 -1.310 -8.471 1.00 0.00 C ATOM 1630 O PRO A 106 -3.295 -0.539 -9.262 1.00 0.00 O ATOM 1631 CB PRO A 106 -1.763 -0.983 -6.995 1.00 0.00 C ATOM 1632 CG PRO A 106 -0.842 -2.112 -7.310 1.00 0.00 C ATOM 1633 CD PRO A 106 -1.492 -3.328 -6.714 1.00 0.00 C ATOM 0 HA PRO A 106 -3.863 -1.179 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.634 -0.157 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.580 -0.587 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.710 -2.224 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.147 -1.945 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.185 -4.242 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.238 -3.449 -5.661 1.00 0.00 H new ATOM 1641 N PHE A 107 -4.926 -1.915 -8.735 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.641 -1.688 -10.019 1.00 0.00 C ATOM 1643 C PHE A 107 -7.137 -1.926 -9.788 1.00 0.00 C ATOM 1644 O PHE A 107 -7.546 -2.309 -8.711 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.078 -2.723 -10.994 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.581 -2.846 -10.823 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.057 -3.723 -9.873 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.719 -2.100 -11.631 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.672 -3.855 -9.727 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.333 -2.231 -11.489 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.809 -3.112 -10.538 1.00 0.00 C ATOM 0 H PHE A 107 -5.387 -2.569 -8.102 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.510 -0.677 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.551 -3.690 -10.822 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.311 -2.432 -12.018 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.722 -4.301 -9.249 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.123 -1.421 -12.367 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.269 -4.531 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.669 -1.652 -12.113 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.260 -3.218 -10.430 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.958 -1.711 -10.777 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.420 -1.938 -10.583 1.00 0.00 C ATOM 1663 C LEU A 108 -9.963 -1.017 -9.487 1.00 0.00 C ATOM 1664 O LEU A 108 -10.576 -0.003 -9.761 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.543 -3.404 -10.153 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.010 -4.252 -11.336 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -8.984 -4.154 -12.464 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.142 -5.713 -10.894 1.00 0.00 C ATOM 0 H LEU A 108 -7.684 -1.390 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.989 -1.726 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.582 -3.768 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.250 -3.493 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.976 -3.889 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.314 -4.758 -13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.885 -3.115 -12.777 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.020 -4.520 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.475 -6.319 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.175 -6.076 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.870 -5.784 -10.086 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.750 -1.365 -8.245 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.264 -0.513 -7.131 1.00 0.00 C ATOM 1682 C ASP A 109 -9.186 -0.313 -6.060 1.00 0.00 C ATOM 1683 O ASP A 109 -9.452 0.202 -4.993 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.448 -1.288 -6.552 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.733 -0.487 -6.763 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.905 0.045 -7.847 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.523 -0.417 -5.836 1.00 0.00 O ATOM 0 H ASP A 109 -9.243 -2.201 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.550 0.480 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.530 -2.262 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.292 -1.472 -5.489 1.00 0.00 H new ATOM 1692 N SER A 110 -7.978 -0.725 -6.322 1.00 0.00 N ATOM 1693 CA SER A 110 -6.906 -0.557 -5.298 1.00 0.00 C ATOM 1694 C SER A 110 -6.203 0.791 -5.468 1.00 0.00 C ATOM 1695 O SER A 110 -6.528 1.756 -4.804 1.00 0.00 O ATOM 1696 CB SER A 110 -5.932 -1.706 -5.546 1.00 0.00 C ATOM 1697 OG SER A 110 -4.880 -1.642 -4.591 1.00 0.00 O ATOM 0 H SER A 110 -7.686 -1.168 -7.193 1.00 0.00 H new ATOM 0 HA SER A 110 -7.306 -0.574 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.451 -2.661 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.527 -1.643 -6.556 1.00 0.00 H new ATOM 0 HG SER A 110 -4.253 -2.379 -4.745 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.240 0.869 -6.344 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.526 2.164 -6.535 1.00 0.00 C ATOM 1705 C GLU A 111 -5.538 3.283 -6.793 1.00 0.00 C ATOM 1706 O GLU A 111 -5.342 4.419 -6.403 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.632 1.943 -7.755 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.439 2.900 -7.697 1.00 0.00 C ATOM 1709 CD GLU A 111 -1.419 2.387 -6.678 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.634 2.598 -5.496 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -0.440 1.793 -7.098 1.00 0.00 O ATOM 0 H GLU A 111 -4.918 0.100 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.947 2.458 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.282 0.911 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.200 2.109 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.976 2.981 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.775 3.899 -7.419 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.627 2.969 -7.438 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.657 4.011 -7.712 1.00 0.00 C ATOM 1720 C LEU A 112 -8.335 4.415 -6.407 1.00 0.00 C ATOM 1721 O LEU A 112 -8.160 5.515 -5.921 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.655 3.347 -8.658 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.899 2.775 -9.854 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.716 1.649 -10.488 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.667 3.884 -10.884 1.00 0.00 C ATOM 0 H LEU A 112 -6.849 2.037 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.233 4.915 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.195 2.555 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.397 4.072 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.939 2.379 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.174 1.242 -11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.880 0.861 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.677 2.040 -10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.127 3.479 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.627 4.280 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.081 4.684 -10.431 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.099 3.533 -5.824 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.767 3.878 -4.543 1.00 0.00 C ATOM 1739 C GLU A 113 -8.728 4.366 -3.543 1.00 0.00 C ATOM 1740 O GLU A 113 -9.037 5.064 -2.598 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.408 2.583 -4.046 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.714 2.933 -3.346 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.558 1.671 -3.170 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.984 0.633 -2.886 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.765 1.763 -3.324 1.00 0.00 O ATOM 0 H GLU A 113 -9.287 2.595 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.508 4.667 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.594 1.907 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.737 2.066 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.508 3.383 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.264 3.672 -3.929 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.493 3.998 -3.741 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.430 4.438 -2.796 1.00 0.00 C ATOM 1754 C ALA A 114 -6.310 5.960 -2.822 1.00 0.00 C ATOM 1755 O ALA A 114 -6.130 6.601 -1.805 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.145 3.794 -3.316 1.00 0.00 C ATOM 0 H ALA A 114 -7.175 3.413 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.643 4.148 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.312 4.072 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.257 2.710 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.949 4.141 -4.331 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.402 6.539 -3.985 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.289 8.022 -4.096 1.00 0.00 C ATOM 1764 C VAL A 115 -7.656 8.650 -4.384 1.00 0.00 C ATOM 1765 O VAL A 115 -7.836 9.847 -4.273 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.334 8.255 -5.265 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.906 9.722 -5.288 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.098 7.367 -5.100 1.00 0.00 C ATOM 0 H VAL A 115 -6.551 6.049 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.929 8.476 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.837 8.007 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.224 9.889 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.785 10.356 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.403 9.969 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.417 7.533 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.595 7.614 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.402 6.320 -5.083 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.613 7.855 -4.772 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.965 8.405 -5.088 1.00 0.00 C ATOM 1780 C LEU A 116 -10.827 8.489 -3.832 1.00 0.00 C ATOM 1781 O LEU A 116 -11.893 9.070 -3.832 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.559 7.407 -6.068 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.276 7.883 -7.483 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -8.765 7.905 -7.719 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -10.942 6.934 -8.481 1.00 0.00 C ATOM 0 H LEU A 116 -8.519 6.846 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.912 9.415 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.127 6.419 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.633 7.315 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.676 8.888 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.560 8.246 -8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.295 8.583 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.361 6.901 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.740 7.274 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.543 5.928 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.018 6.923 -8.310 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.376 7.903 -2.770 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.165 7.934 -1.506 1.00 0.00 C ATOM 1799 C VAL A 117 -10.906 9.234 -0.740 1.00 0.00 C ATOM 1800 O VAL A 117 -11.645 9.594 0.155 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.655 6.745 -0.700 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -9.142 6.873 -0.504 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -11.341 6.733 0.663 1.00 0.00 C ATOM 0 H VAL A 117 -9.491 7.399 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.238 7.884 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.876 5.820 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.777 6.023 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.649 6.891 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -8.921 7.796 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.980 5.885 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.114 7.658 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.419 6.648 0.527 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.858 9.933 -1.073 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.550 11.200 -0.351 1.00 0.00 C ATOM 1815 C GLN A 118 -9.893 12.413 -1.218 1.00 0.00 C ATOM 1816 O GLN A 118 -9.083 13.299 -1.409 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.045 11.142 -0.081 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.771 10.215 1.106 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.261 10.132 1.344 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -5.766 10.605 2.348 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -5.502 9.549 0.456 1.00 0.00 N ATOM 0 H GLN A 118 -9.202 9.683 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.130 11.300 0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.520 10.781 -0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.664 12.141 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.272 10.590 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.175 9.222 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.916 9.152 -0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.495 9.491 0.605 1.00 0.00 H new ATOM 1830 N ILE A 119 -11.088 12.469 -1.738 1.00 0.00 N ATOM 1831 CA ILE A 119 -11.471 13.638 -2.582 1.00 0.00 C ATOM 1832 C ILE A 119 -12.758 14.277 -2.051 1.00 0.00 C ATOM 1833 O ILE A 119 -13.149 15.346 -2.476 1.00 0.00 O ATOM 1834 CB ILE A 119 -11.678 13.082 -3.997 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -12.388 11.727 -3.933 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -10.319 12.904 -4.678 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -13.817 11.922 -3.430 1.00 0.00 C ATOM 0 H ILE A 119 -11.812 11.761 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 119 -10.706 14.414 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.290 13.782 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.399 11.264 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.847 11.052 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -10.465 12.509 -5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -9.812 13.867 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -9.711 12.209 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.322 10.957 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.795 12.367 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.355 12.581 -4.111 1.00 0.00 H new ATOM 1849 N SER A 120 -13.409 13.640 -1.113 1.00 0.00 N ATOM 1850 CA SER A 120 -14.665 14.220 -0.542 1.00 0.00 C ATOM 1851 C SER A 120 -15.293 13.253 0.458 1.00 0.00 C ATOM 1852 O SER A 120 -14.690 12.277 0.858 1.00 0.00 O ATOM 1853 CB SER A 120 -15.613 14.417 -1.725 1.00 0.00 C ATOM 1854 OG SER A 120 -15.789 13.182 -2.404 1.00 0.00 O ATOM 0 H SER A 120 -13.127 12.744 -0.717 1.00 0.00 H new ATOM 0 HA SER A 120 -14.464 15.154 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.575 14.792 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.209 15.165 -2.407 1.00 0.00 H new ATOM 0 HG SER A 120 -16.398 13.309 -3.161 1.00 0.00 H new ATOM 1860 N LYS A 121 -16.509 13.510 0.855 1.00 0.00 N ATOM 1861 CA LYS A 121 -17.181 12.594 1.819 1.00 0.00 C ATOM 1862 C LYS A 121 -18.598 13.076 2.115 1.00 0.00 C ATOM 1863 O LYS A 121 -19.108 12.908 3.202 1.00 0.00 O ATOM 1864 CB LYS A 121 -16.327 12.643 3.076 1.00 0.00 C ATOM 1865 CG LYS A 121 -16.079 11.217 3.537 1.00 0.00 C ATOM 1866 CD LYS A 121 -15.384 11.225 4.899 1.00 0.00 C ATOM 1867 CE LYS A 121 -16.247 10.473 5.915 1.00 0.00 C ATOM 1868 NZ LYS A 121 -15.862 9.041 5.764 1.00 0.00 N ATOM 0 H LYS A 121 -17.064 14.311 0.555 1.00 0.00 H new ATOM 0 HA LYS A 121 -17.269 11.581 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -15.382 13.147 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -16.832 13.213 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -17.024 10.678 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -15.463 10.691 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.403 10.757 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.222 12.251 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.061 10.827 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.309 10.619 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -16.413 8.461 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.056 8.730 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -14.848 8.931 5.966 1.00 0.00 H new ATOM 1882 N GLU A 122 -19.211 13.670 1.133 1.00 0.00 N ATOM 1883 CA GLU A 122 -20.599 14.215 1.249 1.00 0.00 C ATOM 1884 C GLU A 122 -20.711 15.382 0.276 1.00 0.00 C ATOM 1885 O GLU A 122 -21.786 15.788 -0.117 1.00 0.00 O ATOM 1886 CB GLU A 122 -20.787 14.719 2.688 1.00 0.00 C ATOM 1887 CG GLU A 122 -19.580 15.560 3.114 1.00 0.00 C ATOM 1888 CD GLU A 122 -20.036 16.634 4.106 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -20.494 16.267 5.176 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -19.919 17.802 3.778 1.00 0.00 O ATOM 0 H GLU A 122 -18.791 13.808 0.214 1.00 0.00 H new ATOM 0 HA GLU A 122 -21.354 13.462 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -21.697 15.315 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -20.908 13.873 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -18.822 14.924 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -19.121 16.026 2.242 1.00 0.00 H new ATOM 1897 N VAL A 123 -19.585 15.922 -0.113 1.00 0.00 N ATOM 1898 CA VAL A 123 -19.594 17.067 -1.066 1.00 0.00 C ATOM 1899 C VAL A 123 -19.126 16.612 -2.453 1.00 0.00 C ATOM 1900 O VAL A 123 -18.380 17.350 -3.076 1.00 0.00 O ATOM 1901 CB VAL A 123 -18.616 18.085 -0.479 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -19.217 18.701 0.786 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -17.300 17.387 -0.129 1.00 0.00 C ATOM 0 H VAL A 123 -18.660 15.618 0.190 1.00 0.00 H new ATOM 0 HA VAL A 123 -20.592 17.486 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 123 -18.428 18.870 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -18.519 19.427 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -20.154 19.200 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -19.406 17.916 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -16.603 18.113 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -17.488 16.601 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -16.870 16.949 -1.030 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 0.308 -10.029 -9.051 1.00 0.00 CA HETATM 1915 BE BEF A 202 -1.355 -8.436 -7.451 1.00 0.00 BE HETATM 1916 F1 BEF A 202 -2.372 -9.515 -7.352 1.00 0.00 F HETATM 1917 F2 BEF A 202 -1.340 -9.536 -8.893 1.00 0.00 F HETATM 1918 F3 BEF A 202 -1.570 -7.673 -8.575 1.00 0.00 F