USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 27 ASN : amide:sc= -1.26! C(o=-3.2!,f=-7.1!) USER MOD Set 1.2: A 30 ASN :FLIP amide:sc= -1.98! F(o=-5.8,f=-3.2!) USER MOD Set 2.1: A 1 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.98) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.0953 (180deg=-0.141) USER MOD Single : A 3 LYS NZ :NH3+ -143:sc= -0.137 (180deg=-1.45!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 125:sc= 1.24 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.101 USER MOD Single : A 20 MET CE :methyl -126:sc= -0.362 (180deg=-2.75!) USER MOD Single : A 22 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 23 GLN :FLIP amide:sc=-0.00101 F(o=-0.94,f=-0.001) USER MOD Single : A 26 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.8!) USER MOD Single : A 29 GLN : amide:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.5!) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -58:sc= 0.424 USER MOD Single : A 50 MET CE :methyl 148:sc= -0.425 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.079 2.977 2.192 1.00 0.00 N ATOM 2 CA MET A 1 21.190 3.411 3.309 1.00 0.00 C ATOM 3 C MET A 1 21.493 4.866 3.693 1.00 0.00 C ATOM 4 O MET A 1 21.069 5.351 4.721 1.00 0.00 O ATOM 5 CB MET A 1 21.523 2.455 4.452 1.00 0.00 C ATOM 6 CG MET A 1 20.585 2.681 5.634 1.00 0.00 C ATOM 7 SD MET A 1 18.870 2.420 5.112 1.00 0.00 S ATOM 8 CE MET A 1 18.093 2.739 6.714 1.00 0.00 C ATOM 0 H1 MET A 1 21.924 1.967 1.997 1.00 0.00 H new ATOM 0 H2 MET A 1 21.861 3.531 1.339 1.00 0.00 H new ATOM 0 H3 MET A 1 23.072 3.130 2.459 1.00 0.00 H new ATOM 0 HA MET A 1 20.132 3.379 3.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.440 1.424 4.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.556 2.603 4.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.836 1.998 6.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.708 3.693 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.018 2.860 6.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.283 1.901 7.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.509 3.650 7.145 1.00 0.00 H new ATOM 20 N ASP A 2 22.220 5.572 2.868 1.00 0.00 N ATOM 21 CA ASP A 2 22.542 6.993 3.187 1.00 0.00 C ATOM 22 C ASP A 2 21.995 7.930 2.104 1.00 0.00 C ATOM 23 O ASP A 2 22.011 9.136 2.252 1.00 0.00 O ATOM 24 CB ASP A 2 24.070 7.051 3.214 1.00 0.00 C ATOM 25 CG ASP A 2 24.521 8.478 3.525 1.00 0.00 C ATOM 26 OD1 ASP A 2 24.169 8.972 4.584 1.00 0.00 O ATOM 27 OD2 ASP A 2 25.211 9.054 2.701 1.00 0.00 O ATOM 0 H ASP A 2 22.604 5.226 1.988 1.00 0.00 H new ATOM 0 HA ASP A 2 22.097 7.310 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 2 24.457 6.364 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 2 24.474 6.732 2.253 1.00 0.00 H new ATOM 32 N LYS A 3 21.514 7.392 1.014 1.00 0.00 N ATOM 33 CA LYS A 3 20.978 8.263 -0.071 1.00 0.00 C ATOM 34 C LYS A 3 19.463 8.086 -0.206 1.00 0.00 C ATOM 35 O LYS A 3 18.753 9.008 -0.558 1.00 0.00 O ATOM 36 CB LYS A 3 21.695 7.801 -1.343 1.00 0.00 C ATOM 37 CG LYS A 3 21.338 6.343 -1.650 1.00 0.00 C ATOM 38 CD LYS A 3 22.035 5.909 -2.943 1.00 0.00 C ATOM 39 CE LYS A 3 21.715 4.441 -3.230 1.00 0.00 C ATOM 40 NZ LYS A 3 22.250 3.695 -2.057 1.00 0.00 N ATOM 0 H LYS A 3 21.470 6.390 0.829 1.00 0.00 H new ATOM 0 HA LYS A 3 21.149 9.320 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 3 21.411 8.437 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 3 22.773 7.901 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 3 21.646 5.700 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 3 20.258 6.235 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 3 21.704 6.533 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 3 23.112 6.046 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.642 4.285 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.183 4.109 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.649 2.789 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.993 4.258 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.482 3.516 -1.379 1.00 0.00 H new ATOM 54 N VAL A 4 18.961 6.915 0.068 1.00 0.00 N ATOM 55 CA VAL A 4 17.489 6.693 -0.050 1.00 0.00 C ATOM 56 C VAL A 4 16.741 7.527 0.993 1.00 0.00 C ATOM 57 O VAL A 4 15.571 7.820 0.846 1.00 0.00 O ATOM 58 CB VAL A 4 17.283 5.198 0.211 1.00 0.00 C ATOM 59 CG1 VAL A 4 17.726 4.856 1.635 1.00 0.00 C ATOM 60 CG2 VAL A 4 15.803 4.851 0.040 1.00 0.00 C ATOM 0 H VAL A 4 19.502 6.104 0.368 1.00 0.00 H new ATOM 0 HA VAL A 4 17.108 6.990 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 4 17.878 4.623 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.578 3.791 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.781 5.101 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.135 5.431 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.655 3.787 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.210 5.429 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.488 5.089 -0.976 1.00 0.00 H new ATOM 70 N GLN A 5 17.405 7.906 2.051 1.00 0.00 N ATOM 71 CA GLN A 5 16.731 8.713 3.102 1.00 0.00 C ATOM 72 C GLN A 5 16.692 10.193 2.705 1.00 0.00 C ATOM 73 O GLN A 5 15.642 10.751 2.455 1.00 0.00 O ATOM 74 CB GLN A 5 17.581 8.514 4.358 1.00 0.00 C ATOM 75 CG GLN A 5 17.609 7.029 4.723 1.00 0.00 C ATOM 76 CD GLN A 5 18.454 6.828 5.981 1.00 0.00 C ATOM 77 OE1 GLN A 5 19.625 7.150 6.000 1.00 0.00 O ATOM 78 NE2 GLN A 5 17.906 6.304 7.044 1.00 0.00 N ATOM 0 H GLN A 5 18.386 7.690 2.231 1.00 0.00 H new ATOM 0 HA GLN A 5 15.696 8.405 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.594 8.877 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.171 9.095 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.595 6.666 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.022 6.449 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.923 6.033 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.461 6.166 7.888 1.00 0.00 H new ATOM 87 N TYR A 6 17.829 10.832 2.648 1.00 0.00 N ATOM 88 CA TYR A 6 17.858 12.276 2.271 1.00 0.00 C ATOM 89 C TYR A 6 17.139 12.502 0.939 1.00 0.00 C ATOM 90 O TYR A 6 16.554 13.541 0.709 1.00 0.00 O ATOM 91 CB TYR A 6 19.347 12.622 2.138 1.00 0.00 C ATOM 92 CG TYR A 6 20.081 12.451 3.462 1.00 0.00 C ATOM 93 CD1 TYR A 6 19.401 12.072 4.635 1.00 0.00 C ATOM 94 CD2 TYR A 6 21.462 12.682 3.510 1.00 0.00 C ATOM 95 CE1 TYR A 6 20.102 11.928 5.838 1.00 0.00 C ATOM 96 CE2 TYR A 6 22.161 12.536 4.714 1.00 0.00 C ATOM 97 CZ TYR A 6 21.480 12.159 5.878 1.00 0.00 C ATOM 98 OH TYR A 6 22.169 12.017 7.065 1.00 0.00 O ATOM 0 H TYR A 6 18.740 10.417 2.846 1.00 0.00 H new ATOM 0 HA TYR A 6 17.354 12.899 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.804 11.983 1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 6 19.453 13.650 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 6 18.336 11.892 4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 6 21.990 12.974 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 6 19.577 11.638 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 6 23.226 12.714 4.745 1.00 0.00 H new ATOM 0 HH TYR A 6 23.118 12.213 6.918 1.00 0.00 H new ATOM 108 N LEU A 7 17.184 11.544 0.056 1.00 0.00 N ATOM 109 CA LEU A 7 16.511 11.715 -1.261 1.00 0.00 C ATOM 110 C LEU A 7 14.988 11.660 -1.106 1.00 0.00 C ATOM 111 O LEU A 7 14.283 12.570 -1.491 1.00 0.00 O ATOM 112 CB LEU A 7 17.001 10.550 -2.109 1.00 0.00 C ATOM 113 CG LEU A 7 16.394 10.648 -3.510 1.00 0.00 C ATOM 114 CD1 LEU A 7 16.831 11.961 -4.163 1.00 0.00 C ATOM 115 CD2 LEU A 7 16.877 9.471 -4.358 1.00 0.00 C ATOM 0 H LEU A 7 17.658 10.650 0.189 1.00 0.00 H new ATOM 0 HA LEU A 7 16.743 12.680 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.089 10.564 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.720 9.605 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 7 15.307 10.622 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.399 12.032 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.487 12.800 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.918 11.987 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.445 9.540 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.964 9.497 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.567 8.536 -3.892 1.00 0.00 H new ATOM 127 N THR A 8 14.477 10.594 -0.552 1.00 0.00 N ATOM 128 CA THR A 8 13.001 10.476 -0.379 1.00 0.00 C ATOM 129 C THR A 8 12.461 11.639 0.453 1.00 0.00 C ATOM 130 O THR A 8 11.436 12.213 0.144 1.00 0.00 O ATOM 131 CB THR A 8 12.797 9.152 0.358 1.00 0.00 C ATOM 132 OG1 THR A 8 13.324 8.089 -0.423 1.00 0.00 O ATOM 133 CG2 THR A 8 11.304 8.924 0.596 1.00 0.00 C ATOM 0 H THR A 8 15.018 9.799 -0.212 1.00 0.00 H new ATOM 0 HA THR A 8 12.474 10.503 -1.333 1.00 0.00 H new ATOM 0 HB THR A 8 13.314 9.187 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.971 7.581 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.159 7.980 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.903 9.739 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.784 8.890 -0.361 1.00 0.00 H new ATOM 141 N ARG A 9 13.141 11.991 1.510 1.00 0.00 N ATOM 142 CA ARG A 9 12.660 13.117 2.366 1.00 0.00 C ATOM 143 C ARG A 9 12.379 14.357 1.511 1.00 0.00 C ATOM 144 O ARG A 9 11.609 15.219 1.885 1.00 0.00 O ATOM 145 CB ARG A 9 13.800 13.388 3.339 1.00 0.00 C ATOM 146 CG ARG A 9 13.418 14.543 4.268 1.00 0.00 C ATOM 147 CD ARG A 9 14.577 14.844 5.220 1.00 0.00 C ATOM 148 NE ARG A 9 14.778 13.587 5.993 1.00 0.00 N ATOM 149 CZ ARG A 9 15.723 13.517 6.891 1.00 0.00 C ATOM 150 NH1 ARG A 9 15.698 14.309 7.928 1.00 0.00 N ATOM 151 NH2 ARG A 9 16.693 12.654 6.753 1.00 0.00 N ATOM 0 H ARG A 9 14.007 11.550 1.819 1.00 0.00 H new ATOM 0 HA ARG A 9 11.731 12.872 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.013 12.493 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.709 13.635 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.177 15.430 3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.525 14.285 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.478 15.118 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.339 15.679 5.879 1.00 0.00 H new ATOM 0 HE ARG A 9 14.177 12.781 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.940 14.983 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.436 14.254 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.713 12.034 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.431 12.600 7.455 1.00 0.00 H new ATOM 165 N SER A 10 12.998 14.451 0.367 1.00 0.00 N ATOM 166 CA SER A 10 12.770 15.627 -0.508 1.00 0.00 C ATOM 167 C SER A 10 12.250 15.193 -1.884 1.00 0.00 C ATOM 168 O SER A 10 11.859 16.012 -2.692 1.00 0.00 O ATOM 169 CB SER A 10 14.132 16.291 -0.637 1.00 0.00 C ATOM 170 OG SER A 10 14.589 16.681 0.652 1.00 0.00 O ATOM 0 H SER A 10 13.654 13.760 0.002 1.00 0.00 H new ATOM 0 HA SER A 10 12.020 16.301 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.843 15.603 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.065 17.161 -1.290 1.00 0.00 H new ATOM 0 HG SER A 10 15.468 17.108 0.572 1.00 0.00 H new ATOM 176 N ALA A 11 12.249 13.916 -2.165 1.00 0.00 N ATOM 177 CA ALA A 11 11.763 13.449 -3.488 1.00 0.00 C ATOM 178 C ALA A 11 10.288 13.037 -3.413 1.00 0.00 C ATOM 179 O ALA A 11 9.641 12.845 -4.423 1.00 0.00 O ATOM 180 CB ALA A 11 12.637 12.242 -3.827 1.00 0.00 C ATOM 0 H ALA A 11 12.564 13.180 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 11 11.829 14.232 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.339 11.838 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.682 12.549 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.514 11.477 -3.060 1.00 0.00 H new ATOM 186 N ILE A 12 9.750 12.892 -2.231 1.00 0.00 N ATOM 187 CA ILE A 12 8.327 12.485 -2.113 1.00 0.00 C ATOM 188 C ILE A 12 7.563 13.405 -1.155 1.00 0.00 C ATOM 189 O ILE A 12 6.393 13.669 -1.341 1.00 0.00 O ATOM 190 CB ILE A 12 8.367 11.063 -1.573 1.00 0.00 C ATOM 191 CG1 ILE A 12 9.084 10.152 -2.574 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.939 10.559 -1.349 1.00 0.00 C ATOM 193 CD1 ILE A 12 8.333 10.160 -3.908 1.00 0.00 C ATOM 0 H ILE A 12 10.236 13.038 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 12 7.810 12.549 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 12 8.906 11.051 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.109 10.492 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.138 9.136 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.969 9.540 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.434 11.205 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.396 10.572 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.846 9.511 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.316 9.799 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.302 11.176 -4.302 1.00 0.00 H new ATOM 205 N ARG A 13 8.206 13.895 -0.129 1.00 0.00 N ATOM 206 CA ARG A 13 7.498 14.787 0.827 1.00 0.00 C ATOM 207 C ARG A 13 7.075 16.072 0.120 1.00 0.00 C ATOM 208 O ARG A 13 5.913 16.422 0.090 1.00 0.00 O ATOM 209 CB ARG A 13 8.520 15.090 1.926 1.00 0.00 C ATOM 210 CG ARG A 13 8.963 13.787 2.612 1.00 0.00 C ATOM 211 CD ARG A 13 7.762 12.967 3.128 1.00 0.00 C ATOM 212 NE ARG A 13 7.124 13.764 4.222 1.00 0.00 N ATOM 213 CZ ARG A 13 6.427 14.833 3.950 1.00 0.00 C ATOM 214 NH1 ARG A 13 5.424 14.766 3.119 1.00 0.00 N ATOM 215 NH2 ARG A 13 6.735 15.972 4.510 1.00 0.00 N ATOM 0 H ARG A 13 9.187 13.716 0.086 1.00 0.00 H new ATOM 0 HA ARG A 13 6.595 14.329 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.385 15.597 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.085 15.767 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.538 13.184 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.625 14.023 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.051 12.778 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.089 11.996 3.499 1.00 0.00 H new ATOM 0 HE ARG A 13 7.235 13.468 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.183 13.877 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.880 15.603 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.520 16.025 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.191 16.808 4.298 1.00 0.00 H new ATOM 229 N ARG A 14 8.004 16.779 -0.449 1.00 0.00 N ATOM 230 CA ARG A 14 7.640 18.040 -1.148 1.00 0.00 C ATOM 231 C ARG A 14 7.201 17.752 -2.589 1.00 0.00 C ATOM 232 O ARG A 14 7.037 18.656 -3.386 1.00 0.00 O ATOM 233 CB ARG A 14 8.900 18.902 -1.130 1.00 0.00 C ATOM 234 CG ARG A 14 10.004 18.243 -1.955 1.00 0.00 C ATOM 235 CD ARG A 14 11.253 19.116 -1.892 1.00 0.00 C ATOM 236 NE ARG A 14 10.857 20.404 -2.525 1.00 0.00 N ATOM 237 CZ ARG A 14 11.719 21.380 -2.611 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.336 21.801 -1.543 1.00 0.00 N ATOM 239 NH2 ARG A 14 11.963 21.936 -3.767 1.00 0.00 N ATOM 0 H ARG A 14 8.996 16.542 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 14 6.805 18.542 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.678 19.891 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.238 19.043 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.220 17.247 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.681 18.121 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.578 19.266 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.084 18.654 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 14 9.913 20.524 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.145 21.368 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.010 22.564 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.480 21.607 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.637 22.699 -3.834 1.00 0.00 H new ATOM 253 N ALA A 15 7.012 16.505 -2.934 1.00 0.00 N ATOM 254 CA ALA A 15 6.591 16.172 -4.318 1.00 0.00 C ATOM 255 C ALA A 15 5.267 15.398 -4.312 1.00 0.00 C ATOM 256 O ALA A 15 4.618 15.257 -5.331 1.00 0.00 O ATOM 257 CB ALA A 15 7.718 15.303 -4.875 1.00 0.00 C ATOM 0 H ALA A 15 7.132 15.705 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 15 6.425 17.066 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.482 15.014 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.651 15.866 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.825 14.409 -4.261 1.00 0.00 H new ATOM 263 N SER A 16 4.859 14.889 -3.178 1.00 0.00 N ATOM 264 CA SER A 16 3.585 14.126 -3.123 1.00 0.00 C ATOM 265 C SER A 16 2.699 14.582 -1.960 1.00 0.00 C ATOM 266 O SER A 16 1.615 14.073 -1.758 1.00 0.00 O ATOM 267 CB SER A 16 3.998 12.683 -2.931 1.00 0.00 C ATOM 268 OG SER A 16 4.686 12.225 -4.088 1.00 0.00 O ATOM 0 H SER A 16 5.355 14.971 -2.291 1.00 0.00 H new ATOM 0 HA SER A 16 2.997 14.278 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.639 12.591 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.119 12.064 -2.749 1.00 0.00 H new ATOM 0 HG SER A 16 4.954 11.291 -3.961 1.00 0.00 H new ATOM 274 N THR A 17 3.144 15.538 -1.203 1.00 0.00 N ATOM 275 CA THR A 17 2.325 16.028 -0.065 1.00 0.00 C ATOM 276 C THR A 17 2.134 17.546 -0.171 1.00 0.00 C ATOM 277 O THR A 17 1.504 18.161 0.665 1.00 0.00 O ATOM 278 CB THR A 17 3.124 15.677 1.190 1.00 0.00 C ATOM 279 OG1 THR A 17 3.338 14.274 1.237 1.00 0.00 O ATOM 280 CG2 THR A 17 2.345 16.118 2.431 1.00 0.00 C ATOM 0 H THR A 17 4.043 16.004 -1.323 1.00 0.00 H new ATOM 0 HA THR A 17 1.332 15.578 -0.050 1.00 0.00 H new ATOM 0 HB THR A 17 4.085 16.190 1.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.083 13.934 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.915 15.868 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.181 17.195 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.383 15.606 2.458 1.00 0.00 H new ATOM 288 N ILE A 18 2.660 18.152 -1.204 1.00 0.00 N ATOM 289 CA ILE A 18 2.495 19.614 -1.377 1.00 0.00 C ATOM 290 C ILE A 18 1.594 19.868 -2.588 1.00 0.00 C ATOM 291 O ILE A 18 0.913 20.871 -2.671 1.00 0.00 O ATOM 292 CB ILE A 18 3.922 20.146 -1.595 1.00 0.00 C ATOM 293 CG1 ILE A 18 3.933 21.689 -1.615 1.00 0.00 C ATOM 294 CG2 ILE A 18 4.478 19.609 -2.919 1.00 0.00 C ATOM 295 CD1 ILE A 18 3.209 22.237 -2.851 1.00 0.00 C ATOM 0 H ILE A 18 3.199 17.689 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 18 2.026 20.109 -0.527 1.00 0.00 H new ATOM 0 HB ILE A 18 4.548 19.805 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.455 22.070 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.962 22.047 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.489 19.988 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.500 18.520 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.841 19.937 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.235 23.327 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.704 21.876 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.173 21.899 -2.846 1.00 0.00 H new ATOM 307 N GLU A 19 1.579 18.959 -3.529 1.00 0.00 N ATOM 308 CA GLU A 19 0.723 19.143 -4.729 1.00 0.00 C ATOM 309 C GLU A 19 -0.527 18.264 -4.635 1.00 0.00 C ATOM 310 O GLU A 19 -1.577 18.606 -5.142 1.00 0.00 O ATOM 311 CB GLU A 19 1.591 18.714 -5.904 1.00 0.00 C ATOM 312 CG GLU A 19 0.796 18.828 -7.209 1.00 0.00 C ATOM 313 CD GLU A 19 0.435 20.293 -7.480 1.00 0.00 C ATOM 314 OE1 GLU A 19 0.847 21.143 -6.709 1.00 0.00 O ATOM 315 OE2 GLU A 19 -0.241 20.540 -8.466 1.00 0.00 O ATOM 0 H GLU A 19 2.125 18.098 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 19 0.377 20.171 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.483 19.339 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.929 17.687 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.383 18.431 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.112 18.228 -7.145 1.00 0.00 H new ATOM 322 N MET A 20 -0.420 17.131 -3.995 1.00 0.00 N ATOM 323 CA MET A 20 -1.602 16.232 -3.874 1.00 0.00 C ATOM 324 C MET A 20 -1.763 15.751 -2.427 1.00 0.00 C ATOM 325 O MET A 20 -1.734 14.564 -2.166 1.00 0.00 O ATOM 326 CB MET A 20 -1.301 15.062 -4.800 1.00 0.00 C ATOM 327 CG MET A 20 -1.104 15.573 -6.229 1.00 0.00 C ATOM 328 SD MET A 20 -2.611 16.402 -6.793 1.00 0.00 S ATOM 329 CE MET A 20 -2.016 16.861 -8.441 1.00 0.00 C ATOM 0 H MET A 20 0.433 16.790 -3.552 1.00 0.00 H new ATOM 0 HA MET A 20 -2.532 16.735 -4.141 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.405 14.540 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.119 14.342 -4.770 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.262 16.264 -6.266 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.864 14.742 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.145 17.933 -8.589 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.960 16.607 -8.530 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.584 16.319 -9.197 1.00 0.00 H new ATOM 339 N PRO A 21 -1.931 16.689 -1.528 1.00 0.00 N ATOM 340 CA PRO A 21 -2.105 16.342 -0.097 1.00 0.00 C ATOM 341 C PRO A 21 -3.496 15.751 0.138 1.00 0.00 C ATOM 342 O PRO A 21 -3.680 14.878 0.962 1.00 0.00 O ATOM 343 CB PRO A 21 -1.953 17.680 0.619 1.00 0.00 C ATOM 344 CG PRO A 21 -2.317 18.710 -0.396 1.00 0.00 C ATOM 345 CD PRO A 21 -1.978 18.141 -1.751 1.00 0.00 C ATOM 0 HA PRO A 21 -1.392 15.596 0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.606 17.737 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.933 17.822 0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.378 18.952 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.768 19.635 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.730 18.406 -2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.023 18.520 -2.115 1.00 0.00 H new ATOM 353 N GLN A 22 -4.479 16.218 -0.586 1.00 0.00 N ATOM 354 CA GLN A 22 -5.858 15.681 -0.409 1.00 0.00 C ATOM 355 C GLN A 22 -6.006 14.356 -1.158 1.00 0.00 C ATOM 356 O GLN A 22 -6.638 13.430 -0.689 1.00 0.00 O ATOM 357 CB GLN A 22 -6.775 16.738 -1.008 1.00 0.00 C ATOM 358 CG GLN A 22 -6.587 18.063 -0.266 1.00 0.00 C ATOM 359 CD GLN A 22 -6.953 17.881 1.208 1.00 0.00 C ATOM 360 OE1 GLN A 22 -8.070 17.529 1.530 1.00 0.00 O ATOM 361 NE2 GLN A 22 -6.050 18.107 2.124 1.00 0.00 N ATOM 0 H GLN A 22 -4.385 16.948 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.094 15.485 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.553 16.868 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.814 16.415 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.554 18.399 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.213 18.835 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.112 18.403 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.283 17.988 3.110 1.00 0.00 H new ATOM 370 N GLN A 23 -5.421 14.257 -2.321 1.00 0.00 N ATOM 371 CA GLN A 23 -5.521 12.996 -3.101 1.00 0.00 C ATOM 372 C GLN A 23 -4.629 11.926 -2.476 1.00 0.00 C ATOM 373 O GLN A 23 -5.068 10.829 -2.193 1.00 0.00 O ATOM 374 CB GLN A 23 -5.036 13.351 -4.498 1.00 0.00 C ATOM 375 CG GLN A 23 -5.076 12.106 -5.387 1.00 0.00 C ATOM 376 CD GLN A 23 -4.576 12.431 -6.806 1.00 0.00 C ATOM 377 OE1 GLN A 23 -4.182 13.643 -7.116 1.00 0.00 O flip ATOM 378 NE2 GLN A 23 -4.541 11.560 -7.653 1.00 0.00 N flip ATOM 0 H GLN A 23 -4.878 14.998 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.535 12.598 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.663 14.134 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.021 13.745 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.458 11.322 -4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.094 11.720 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.845 10.614 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.208 11.775 -8.593 1.00 0.00 H new ATOM 387 N ALA A 24 -3.380 12.236 -2.242 1.00 0.00 N ATOM 388 CA ALA A 24 -2.471 11.229 -1.618 1.00 0.00 C ATOM 389 C ALA A 24 -3.129 10.663 -0.359 1.00 0.00 C ATOM 390 O ALA A 24 -3.119 9.471 -0.122 1.00 0.00 O ATOM 391 CB ALA A 24 -1.197 11.999 -1.266 1.00 0.00 C ATOM 0 H ALA A 24 -2.952 13.137 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.257 10.389 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.479 11.322 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.764 12.420 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.438 12.804 -0.572 1.00 0.00 H new ATOM 397 N ARG A 25 -3.726 11.509 0.436 1.00 0.00 N ATOM 398 CA ARG A 25 -4.410 11.017 1.657 1.00 0.00 C ATOM 399 C ARG A 25 -5.634 10.201 1.245 1.00 0.00 C ATOM 400 O ARG A 25 -6.052 9.287 1.929 1.00 0.00 O ATOM 401 CB ARG A 25 -4.827 12.267 2.418 1.00 0.00 C ATOM 402 CG ARG A 25 -5.575 11.868 3.690 1.00 0.00 C ATOM 403 CD ARG A 25 -5.963 13.124 4.474 1.00 0.00 C ATOM 404 NE ARG A 25 -4.672 13.792 4.801 1.00 0.00 N ATOM 405 CZ ARG A 25 -3.793 13.189 5.556 1.00 0.00 C ATOM 406 NH1 ARG A 25 -4.191 12.427 6.539 1.00 0.00 N ATOM 407 NH2 ARG A 25 -2.518 13.346 5.326 1.00 0.00 N ATOM 0 H ARG A 25 -3.768 12.518 0.290 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.775 10.377 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.949 12.860 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.463 12.891 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.467 11.296 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.948 11.222 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.605 13.776 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.515 12.869 5.379 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.474 14.723 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.188 12.303 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.505 11.956 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.208 13.940 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.832 12.875 5.916 1.00 0.00 H new ATOM 421 N GLN A 26 -6.203 10.528 0.115 1.00 0.00 N ATOM 422 CA GLN A 26 -7.390 9.783 -0.371 1.00 0.00 C ATOM 423 C GLN A 26 -6.957 8.430 -0.934 1.00 0.00 C ATOM 424 O GLN A 26 -7.340 7.389 -0.441 1.00 0.00 O ATOM 425 CB GLN A 26 -7.975 10.658 -1.475 1.00 0.00 C ATOM 426 CG GLN A 26 -9.241 10.012 -2.049 1.00 0.00 C ATOM 427 CD GLN A 26 -10.328 9.929 -0.972 1.00 0.00 C ATOM 428 OE1 GLN A 26 -10.166 9.261 0.028 1.00 0.00 O ATOM 429 NE2 GLN A 26 -11.440 10.593 -1.138 1.00 0.00 N ATOM 0 H GLN A 26 -5.891 11.285 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.114 9.586 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.210 11.646 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.239 10.798 -2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.603 10.594 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.012 9.014 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.578 11.155 -1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.171 10.550 -0.428 1.00 0.00 H new ATOM 438 N ASN A 27 -6.150 8.443 -1.962 1.00 0.00 N ATOM 439 CA ASN A 27 -5.677 7.163 -2.566 1.00 0.00 C ATOM 440 C ASN A 27 -5.128 6.227 -1.485 1.00 0.00 C ATOM 441 O ASN A 27 -5.193 5.020 -1.603 1.00 0.00 O ATOM 442 CB ASN A 27 -4.567 7.572 -3.526 1.00 0.00 C ATOM 443 CG ASN A 27 -3.974 6.326 -4.187 1.00 0.00 C ATOM 444 OD1 ASN A 27 -4.667 5.598 -4.869 1.00 0.00 O ATOM 445 ND2 ASN A 27 -2.712 6.048 -4.010 1.00 0.00 N ATOM 0 H ASN A 27 -5.797 9.288 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.481 6.625 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.960 8.247 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.790 8.116 -2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.307 5.219 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.130 6.660 -3.437 1.00 0.00 H new ATOM 452 N LEU A 28 -4.587 6.777 -0.432 1.00 0.00 N ATOM 453 CA LEU A 28 -4.032 5.922 0.659 1.00 0.00 C ATOM 454 C LEU A 28 -5.041 4.846 1.070 1.00 0.00 C ATOM 455 O LEU A 28 -4.681 3.802 1.579 1.00 0.00 O ATOM 456 CB LEU A 28 -3.779 6.880 1.815 1.00 0.00 C ATOM 457 CG LEU A 28 -3.197 6.112 3.003 1.00 0.00 C ATOM 458 CD1 LEU A 28 -1.866 5.477 2.599 1.00 0.00 C ATOM 459 CD2 LEU A 28 -2.970 7.076 4.170 1.00 0.00 C ATOM 0 H LEU A 28 -4.505 7.782 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.127 5.400 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.090 7.666 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.709 7.368 2.106 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.893 5.330 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.452 4.930 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.028 4.791 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.168 6.257 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.555 6.530 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.274 7.858 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.919 7.528 4.459 1.00 0.00 H new ATOM 471 N GLN A 29 -6.304 5.095 0.859 1.00 0.00 N ATOM 472 CA GLN A 29 -7.339 4.091 1.243 1.00 0.00 C ATOM 473 C GLN A 29 -7.056 2.743 0.568 1.00 0.00 C ATOM 474 O GLN A 29 -7.520 1.710 1.007 1.00 0.00 O ATOM 475 CB GLN A 29 -8.662 4.675 0.743 1.00 0.00 C ATOM 476 CG GLN A 29 -8.636 4.773 -0.784 1.00 0.00 C ATOM 477 CD GLN A 29 -9.938 5.406 -1.281 1.00 0.00 C ATOM 478 OE1 GLN A 29 -11.010 4.887 -1.039 1.00 0.00 O ATOM 479 NE2 GLN A 29 -9.888 6.511 -1.972 1.00 0.00 N ATOM 0 H GLN A 29 -6.665 5.950 0.437 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.353 3.907 2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.493 4.046 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.823 5.661 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.783 5.371 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.512 3.782 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.988 6.946 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.749 6.941 -2.310 1.00 0.00 H new ATOM 488 N ASN A 30 -6.307 2.747 -0.501 1.00 0.00 N ATOM 489 CA ASN A 30 -6.005 1.467 -1.203 1.00 0.00 C ATOM 490 C ASN A 30 -5.403 0.452 -0.230 1.00 0.00 C ATOM 491 O ASN A 30 -5.700 -0.724 -0.280 1.00 0.00 O ATOM 492 CB ASN A 30 -4.994 1.832 -2.285 1.00 0.00 C ATOM 493 CG ASN A 30 -5.596 2.829 -3.291 1.00 0.00 C ATOM 494 OD1 ASN A 30 -6.850 3.197 -3.198 1.00 0.00 O flip ATOM 495 ND2 ASN A 30 -4.911 3.271 -4.191 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.892 3.580 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.902 1.011 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.106 2.265 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.675 0.931 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.934 2.991 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.313 3.922 -4.865 1.00 0.00 H new ATOM 502 N LEU A 31 -4.558 0.901 0.657 1.00 0.00 N ATOM 503 CA LEU A 31 -3.936 -0.038 1.634 1.00 0.00 C ATOM 504 C LEU A 31 -5.017 -0.802 2.398 1.00 0.00 C ATOM 505 O LEU A 31 -4.832 -1.940 2.785 1.00 0.00 O ATOM 506 CB LEU A 31 -3.142 0.850 2.580 1.00 0.00 C ATOM 507 CG LEU A 31 -2.440 -0.017 3.626 1.00 0.00 C ATOM 508 CD1 LEU A 31 -1.483 -0.981 2.925 1.00 0.00 C ATOM 509 CD2 LEU A 31 -1.653 0.878 4.587 1.00 0.00 C ATOM 0 H LEU A 31 -4.271 1.876 0.748 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.307 -0.783 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.408 1.430 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.806 1.563 3.069 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.182 -0.585 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.981 -1.600 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.044 -1.618 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.740 -0.413 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.153 0.260 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.909 1.446 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.336 1.566 5.085 1.00 0.00 H new ATOM 521 N PHE A 32 -6.143 -0.185 2.625 1.00 0.00 N ATOM 522 CA PHE A 32 -7.230 -0.868 3.368 1.00 0.00 C ATOM 523 C PHE A 32 -7.954 -1.862 2.455 1.00 0.00 C ATOM 524 O PHE A 32 -8.006 -3.045 2.726 1.00 0.00 O ATOM 525 CB PHE A 32 -8.177 0.258 3.805 1.00 0.00 C ATOM 526 CG PHE A 32 -9.306 -0.271 4.682 1.00 0.00 C ATOM 527 CD1 PHE A 32 -9.368 -1.626 5.063 1.00 0.00 C ATOM 528 CD2 PHE A 32 -10.296 0.617 5.122 1.00 0.00 C ATOM 529 CE1 PHE A 32 -10.415 -2.080 5.874 1.00 0.00 C ATOM 530 CE2 PHE A 32 -11.342 0.159 5.934 1.00 0.00 C ATOM 531 CZ PHE A 32 -11.402 -1.188 6.308 1.00 0.00 C ATOM 0 H PHE A 32 -6.355 0.767 2.325 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.856 -1.439 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.615 1.016 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.596 0.745 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.607 -2.315 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.253 1.657 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.461 -3.119 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -12.103 0.847 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.210 -1.539 6.932 1.00 0.00 H new ATOM 541 N ILE A 33 -8.515 -1.390 1.375 1.00 0.00 N ATOM 542 CA ILE A 33 -9.236 -2.308 0.447 1.00 0.00 C ATOM 543 C ILE A 33 -8.302 -3.424 -0.024 1.00 0.00 C ATOM 544 O ILE A 33 -8.737 -4.484 -0.429 1.00 0.00 O ATOM 545 CB ILE A 33 -9.660 -1.432 -0.731 1.00 0.00 C ATOM 546 CG1 ILE A 33 -10.436 -2.280 -1.743 1.00 0.00 C ATOM 547 CG2 ILE A 33 -8.415 -0.848 -1.402 1.00 0.00 C ATOM 548 CD1 ILE A 33 -10.878 -1.402 -2.917 1.00 0.00 C ATOM 0 H ILE A 33 -8.505 -0.409 1.095 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.090 -2.788 0.924 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.295 -0.622 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.811 -3.098 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.306 -2.730 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.714 -0.223 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.862 -0.246 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.781 -1.659 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.430 -2.007 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.518 -0.600 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.001 -0.973 -3.401 1.00 0.00 H new ATOM 560 N ASN A 34 -7.018 -3.194 0.025 1.00 0.00 N ATOM 561 CA ASN A 34 -6.056 -4.235 -0.420 1.00 0.00 C ATOM 562 C ASN A 34 -5.957 -5.350 0.625 1.00 0.00 C ATOM 563 O ASN A 34 -6.282 -6.491 0.363 1.00 0.00 O ATOM 564 CB ASN A 34 -4.720 -3.504 -0.555 1.00 0.00 C ATOM 565 CG ASN A 34 -3.648 -4.486 -1.028 1.00 0.00 C ATOM 566 OD1 ASN A 34 -3.369 -5.465 -0.367 1.00 0.00 O ATOM 567 ND2 ASN A 34 -3.030 -4.261 -2.155 1.00 0.00 N ATOM 0 H ASN A 34 -6.595 -2.327 0.355 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.360 -4.706 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.813 -2.681 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.433 -3.069 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.312 -4.908 -2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.265 -3.438 -2.710 1.00 0.00 H new ATOM 574 N PHE A 35 -5.510 -5.027 1.807 1.00 0.00 N ATOM 575 CA PHE A 35 -5.388 -6.069 2.868 1.00 0.00 C ATOM 576 C PHE A 35 -6.737 -6.751 3.117 1.00 0.00 C ATOM 577 O PHE A 35 -6.803 -7.825 3.678 1.00 0.00 O ATOM 578 CB PHE A 35 -4.926 -5.311 4.120 1.00 0.00 C ATOM 579 CG PHE A 35 -3.513 -4.762 3.948 1.00 0.00 C ATOM 580 CD1 PHE A 35 -2.770 -5.006 2.778 1.00 0.00 C ATOM 581 CD2 PHE A 35 -2.945 -4.008 4.983 1.00 0.00 C ATOM 582 CE1 PHE A 35 -1.472 -4.494 2.651 1.00 0.00 C ATOM 583 CE2 PHE A 35 -1.648 -3.499 4.854 1.00 0.00 C ATOM 584 CZ PHE A 35 -0.912 -3.741 3.689 1.00 0.00 C ATOM 0 H PHE A 35 -5.224 -4.088 2.085 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.690 -6.857 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.614 -4.491 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.957 -5.977 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.201 -5.589 1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.510 -3.819 5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.904 -4.681 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.214 -2.918 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.089 -3.347 3.591 1.00 0.00 H new ATOM 594 N CYS A 36 -7.813 -6.139 2.712 1.00 0.00 N ATOM 595 CA CYS A 36 -9.144 -6.760 2.938 1.00 0.00 C ATOM 596 C CYS A 36 -9.449 -7.792 1.849 1.00 0.00 C ATOM 597 O CYS A 36 -9.985 -8.849 2.116 1.00 0.00 O ATOM 598 CB CYS A 36 -10.138 -5.601 2.873 1.00 0.00 C ATOM 599 SG CYS A 36 -11.816 -6.230 3.132 1.00 0.00 S ATOM 0 H CYS A 36 -7.828 -5.237 2.235 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.192 -7.288 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.896 -4.857 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.070 -5.103 1.906 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.662 -5.244 3.079 1.00 0.00 H new ATOM 605 N LEU A 37 -9.119 -7.491 0.627 1.00 0.00 N ATOM 606 CA LEU A 37 -9.395 -8.447 -0.476 1.00 0.00 C ATOM 607 C LEU A 37 -8.276 -9.483 -0.592 1.00 0.00 C ATOM 608 O LEU A 37 -8.512 -10.632 -0.906 1.00 0.00 O ATOM 609 CB LEU A 37 -9.466 -7.586 -1.730 1.00 0.00 C ATOM 610 CG LEU A 37 -10.626 -6.601 -1.590 1.00 0.00 C ATOM 611 CD1 LEU A 37 -10.739 -5.780 -2.865 1.00 0.00 C ATOM 612 CD2 LEU A 37 -11.933 -7.369 -1.364 1.00 0.00 C ATOM 0 H LEU A 37 -8.668 -6.621 0.344 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.315 -9.008 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.529 -7.047 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.608 -8.213 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.444 -5.943 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.565 -5.075 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.811 -5.232 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.922 -6.444 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.757 -6.663 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.119 -8.028 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.853 -7.964 -0.454 1.00 0.00 H new ATOM 624 N ILE A 38 -7.060 -9.085 -0.344 1.00 0.00 N ATOM 625 CA ILE A 38 -5.926 -10.047 -0.444 1.00 0.00 C ATOM 626 C ILE A 38 -6.012 -11.104 0.660 1.00 0.00 C ATOM 627 O ILE A 38 -5.639 -12.242 0.469 1.00 0.00 O ATOM 628 CB ILE A 38 -4.675 -9.199 -0.276 1.00 0.00 C ATOM 629 CG1 ILE A 38 -4.600 -8.168 -1.404 1.00 0.00 C ATOM 630 CG2 ILE A 38 -3.436 -10.096 -0.320 1.00 0.00 C ATOM 631 CD1 ILE A 38 -4.543 -8.888 -2.750 1.00 0.00 C ATOM 0 H ILE A 38 -6.801 -8.135 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.932 -10.587 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.714 -8.684 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.468 -7.510 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.718 -7.539 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.541 -9.486 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.488 -10.828 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.396 -10.614 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.490 -8.153 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.661 -9.527 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.438 -9.498 -2.875 1.00 0.00 H new ATOM 643 N LEU A 39 -6.491 -10.739 1.818 1.00 0.00 N ATOM 644 CA LEU A 39 -6.585 -11.731 2.923 1.00 0.00 C ATOM 645 C LEU A 39 -7.794 -12.651 2.726 1.00 0.00 C ATOM 646 O LEU A 39 -7.870 -13.719 3.299 1.00 0.00 O ATOM 647 CB LEU A 39 -6.740 -10.899 4.193 1.00 0.00 C ATOM 648 CG LEU A 39 -5.482 -10.055 4.400 1.00 0.00 C ATOM 649 CD1 LEU A 39 -5.646 -9.194 5.654 1.00 0.00 C ATOM 650 CD2 LEU A 39 -4.272 -10.977 4.568 1.00 0.00 C ATOM 0 H LEU A 39 -6.820 -9.800 2.045 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.709 -12.378 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.616 -10.255 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.900 -11.551 5.052 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.330 -9.410 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.749 -8.592 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.508 -8.538 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.798 -9.838 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.375 -10.376 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.423 -11.622 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.155 -11.590 3.675 1.00 0.00 H new ATOM 662 N ILE A 40 -8.739 -12.249 1.922 1.00 0.00 N ATOM 663 CA ILE A 40 -9.931 -13.103 1.696 1.00 0.00 C ATOM 664 C ILE A 40 -9.867 -13.763 0.317 1.00 0.00 C ATOM 665 O ILE A 40 -10.330 -14.869 0.125 1.00 0.00 O ATOM 666 CB ILE A 40 -11.118 -12.155 1.780 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.152 -11.500 3.163 1.00 0.00 C ATOM 668 CG2 ILE A 40 -12.416 -12.935 1.554 1.00 0.00 C ATOM 669 CD1 ILE A 40 -12.337 -10.537 3.241 1.00 0.00 C ATOM 0 H ILE A 40 -8.734 -11.365 1.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.999 -13.910 2.426 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.020 -11.385 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -11.238 -12.263 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.221 -10.964 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.265 -12.254 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.394 -13.401 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -12.515 -13.707 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.362 -10.070 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.231 -9.767 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.264 -11.086 3.076 1.00 0.00 H new ATOM 681 N PHE A 41 -9.304 -13.089 -0.648 1.00 0.00 N ATOM 682 CA PHE A 41 -9.218 -13.677 -2.014 1.00 0.00 C ATOM 683 C PHE A 41 -8.432 -14.991 -1.983 1.00 0.00 C ATOM 684 O PHE A 41 -8.782 -15.946 -2.646 1.00 0.00 O ATOM 685 CB PHE A 41 -8.486 -12.633 -2.856 1.00 0.00 C ATOM 686 CG PHE A 41 -8.398 -13.120 -4.282 1.00 0.00 C ATOM 687 CD1 PHE A 41 -9.570 -13.392 -4.999 1.00 0.00 C ATOM 688 CD2 PHE A 41 -7.149 -13.300 -4.888 1.00 0.00 C ATOM 689 CE1 PHE A 41 -9.492 -13.844 -6.321 1.00 0.00 C ATOM 690 CE2 PHE A 41 -7.073 -13.752 -6.211 1.00 0.00 C ATOM 691 CZ PHE A 41 -8.245 -14.024 -6.928 1.00 0.00 C ATOM 0 H PHE A 41 -8.900 -12.157 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.202 -13.909 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.014 -11.680 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.487 -12.460 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.534 -13.253 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.245 -13.090 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.396 -14.054 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.110 -13.891 -6.679 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.186 -14.372 -7.949 1.00 0.00 H new ATOM 701 N LEU A 42 -7.375 -15.048 -1.220 1.00 0.00 N ATOM 702 CA LEU A 42 -6.578 -16.306 -1.154 1.00 0.00 C ATOM 703 C LEU A 42 -7.485 -17.474 -0.764 1.00 0.00 C ATOM 704 O LEU A 42 -7.416 -18.546 -1.333 1.00 0.00 O ATOM 705 CB LEU A 42 -5.521 -16.057 -0.076 1.00 0.00 C ATOM 706 CG LEU A 42 -4.602 -14.913 -0.512 1.00 0.00 C ATOM 707 CD1 LEU A 42 -3.569 -14.642 0.584 1.00 0.00 C ATOM 708 CD2 LEU A 42 -3.880 -15.304 -1.804 1.00 0.00 C ATOM 0 H LEU A 42 -7.030 -14.282 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.121 -16.560 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.003 -15.809 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.937 -16.962 0.091 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.196 -14.015 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.915 -13.827 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.081 -14.365 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.975 -15.540 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.225 -14.490 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.286 -16.202 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.614 -15.499 -2.586 1.00 0.00 H new ATOM 720 N LEU A 43 -8.340 -17.273 0.201 1.00 0.00 N ATOM 721 CA LEU A 43 -9.254 -18.367 0.626 1.00 0.00 C ATOM 722 C LEU A 43 -10.359 -18.560 -0.417 1.00 0.00 C ATOM 723 O LEU A 43 -10.857 -19.650 -0.617 1.00 0.00 O ATOM 724 CB LEU A 43 -9.844 -17.898 1.955 1.00 0.00 C ATOM 725 CG LEU A 43 -10.810 -18.957 2.488 1.00 0.00 C ATOM 726 CD1 LEU A 43 -10.055 -20.272 2.706 1.00 0.00 C ATOM 727 CD2 LEU A 43 -11.404 -18.483 3.815 1.00 0.00 C ATOM 0 H LEU A 43 -8.444 -16.397 0.713 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.740 -19.323 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.046 -17.722 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.366 -16.951 1.819 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.612 -19.114 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.743 -21.028 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.632 -20.610 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.253 -20.116 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.093 -19.237 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.603 -18.326 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.941 -17.547 3.660 1.00 0.00 H new ATOM 739 N LEU A 44 -10.752 -17.505 -1.076 1.00 0.00 N ATOM 740 CA LEU A 44 -11.822 -17.607 -2.094 1.00 0.00 C ATOM 741 C LEU A 44 -11.369 -18.508 -3.251 1.00 0.00 C ATOM 742 O LEU A 44 -12.040 -19.455 -3.610 1.00 0.00 O ATOM 743 CB LEU A 44 -11.986 -16.160 -2.546 1.00 0.00 C ATOM 744 CG LEU A 44 -13.227 -15.985 -3.408 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.065 -16.714 -4.743 1.00 0.00 C ATOM 746 CD2 LEU A 44 -14.456 -16.518 -2.666 1.00 0.00 C ATOM 0 H LEU A 44 -10.370 -16.568 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.749 -18.046 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.053 -15.510 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.105 -15.851 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.362 -14.922 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.964 -16.576 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.205 -16.309 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.910 -17.777 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.341 -16.390 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.318 -17.577 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.585 -15.968 -1.734 1.00 0.00 H new ATOM 758 N ILE A 45 -10.243 -18.215 -3.844 1.00 0.00 N ATOM 759 CA ILE A 45 -9.757 -19.047 -4.982 1.00 0.00 C ATOM 760 C ILE A 45 -9.547 -20.500 -4.541 1.00 0.00 C ATOM 761 O ILE A 45 -9.549 -21.408 -5.348 1.00 0.00 O ATOM 762 CB ILE A 45 -8.425 -18.420 -5.399 1.00 0.00 C ATOM 763 CG1 ILE A 45 -7.443 -18.479 -4.226 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.650 -16.961 -5.801 1.00 0.00 C ATOM 765 CD1 ILE A 45 -6.110 -17.857 -4.643 1.00 0.00 C ATOM 0 H ILE A 45 -9.638 -17.434 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.475 -19.068 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.015 -18.971 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.853 -17.945 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.292 -19.513 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.701 -16.515 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.349 -16.917 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.061 -16.410 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.411 -17.899 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.699 -18.410 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.268 -16.818 -4.932 1.00 0.00 H new ATOM 777 N CYS A 46 -9.355 -20.727 -3.270 1.00 0.00 N ATOM 778 CA CYS A 46 -9.137 -22.121 -2.790 1.00 0.00 C ATOM 779 C CYS A 46 -10.309 -23.020 -3.188 1.00 0.00 C ATOM 780 O CYS A 46 -10.129 -24.163 -3.559 1.00 0.00 O ATOM 781 CB CYS A 46 -9.041 -22.011 -1.276 1.00 0.00 C ATOM 782 SG CYS A 46 -8.763 -23.653 -0.569 1.00 0.00 S ATOM 0 H CYS A 46 -9.340 -20.010 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.241 -22.564 -3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.226 -21.342 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.958 -21.580 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.731 -24.446 -0.920 1.00 0.00 H new ATOM 788 N ILE A 47 -11.511 -22.517 -3.109 1.00 0.00 N ATOM 789 CA ILE A 47 -12.690 -23.342 -3.477 1.00 0.00 C ATOM 790 C ILE A 47 -12.589 -23.810 -4.932 1.00 0.00 C ATOM 791 O ILE A 47 -13.194 -24.789 -5.320 1.00 0.00 O ATOM 792 CB ILE A 47 -13.885 -22.407 -3.292 1.00 0.00 C ATOM 793 CG1 ILE A 47 -13.989 -21.995 -1.822 1.00 0.00 C ATOM 794 CG2 ILE A 47 -15.161 -23.129 -3.712 1.00 0.00 C ATOM 795 CD1 ILE A 47 -15.193 -21.071 -1.635 1.00 0.00 C ATOM 0 H ILE A 47 -11.725 -21.567 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.772 -24.243 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.751 -21.517 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.094 -22.878 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.076 -21.488 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.015 -22.464 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.086 -23.421 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.295 -24.018 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.267 -20.777 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -15.069 -20.182 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -16.102 -21.594 -1.930 1.00 0.00 H new ATOM 807 N ILE A 48 -11.833 -23.119 -5.737 1.00 0.00 N ATOM 808 CA ILE A 48 -11.696 -23.523 -7.161 1.00 0.00 C ATOM 809 C ILE A 48 -10.496 -24.456 -7.341 1.00 0.00 C ATOM 810 O ILE A 48 -10.480 -25.299 -8.216 1.00 0.00 O ATOM 811 CB ILE A 48 -11.488 -22.223 -7.922 1.00 0.00 C ATOM 812 CG1 ILE A 48 -12.709 -21.320 -7.733 1.00 0.00 C ATOM 813 CG2 ILE A 48 -11.302 -22.526 -9.411 1.00 0.00 C ATOM 814 CD1 ILE A 48 -12.499 -20.006 -8.487 1.00 0.00 C ATOM 0 H ILE A 48 -11.303 -22.290 -5.469 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.569 -24.068 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.600 -21.718 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.605 -21.822 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.866 -21.121 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -11.153 -21.594 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.432 -23.168 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.189 -23.032 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.370 -19.365 -8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.613 -19.502 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.364 -20.213 -9.549 1.00 0.00 H new ATOM 826 N VAL A 49 -9.490 -24.310 -6.522 1.00 0.00 N ATOM 827 CA VAL A 49 -8.292 -25.188 -6.649 1.00 0.00 C ATOM 828 C VAL A 49 -8.614 -26.602 -6.154 1.00 0.00 C ATOM 829 O VAL A 49 -8.182 -27.582 -6.728 1.00 0.00 O ATOM 830 CB VAL A 49 -7.230 -24.538 -5.761 1.00 0.00 C ATOM 831 CG1 VAL A 49 -5.944 -25.363 -5.816 1.00 0.00 C ATOM 832 CG2 VAL A 49 -6.948 -23.119 -6.259 1.00 0.00 C ATOM 0 H VAL A 49 -9.446 -23.621 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.958 -25.283 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.591 -24.497 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.187 -24.900 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.145 -26.374 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.582 -25.405 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.191 -22.655 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.587 -23.159 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.865 -22.530 -6.219 1.00 0.00 H new ATOM 842 N MET A 50 -9.367 -26.713 -5.096 1.00 0.00 N ATOM 843 CA MET A 50 -9.712 -28.063 -4.567 1.00 0.00 C ATOM 844 C MET A 50 -10.512 -28.856 -5.603 1.00 0.00 C ATOM 845 O MET A 50 -10.593 -30.068 -5.545 1.00 0.00 O ATOM 846 CB MET A 50 -10.555 -27.801 -3.327 1.00 0.00 C ATOM 847 CG MET A 50 -9.738 -27.013 -2.302 1.00 0.00 C ATOM 848 SD MET A 50 -10.754 -26.688 -0.840 1.00 0.00 S ATOM 849 CE MET A 50 -11.093 -28.414 -0.411 1.00 0.00 C ATOM 0 H MET A 50 -9.759 -25.929 -4.575 1.00 0.00 H new ATOM 0 HA MET A 50 -8.823 -28.652 -4.339 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.452 -27.243 -3.597 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.885 -28.745 -2.894 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.848 -27.575 -2.021 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.398 -26.074 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 50 -11.188 -28.508 0.671 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.022 -28.731 -0.885 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.274 -29.043 -0.760 1.00 0.00 H new ATOM 859 N LEU A 51 -11.111 -28.185 -6.550 1.00 0.00 N ATOM 860 CA LEU A 51 -11.908 -28.905 -7.585 1.00 0.00 C ATOM 861 C LEU A 51 -11.205 -28.831 -8.943 1.00 0.00 C ATOM 862 O LEU A 51 -10.894 -29.839 -9.545 1.00 0.00 O ATOM 863 CB LEU A 51 -13.266 -28.191 -7.644 1.00 0.00 C ATOM 864 CG LEU A 51 -14.060 -28.434 -6.351 1.00 0.00 C ATOM 865 CD1 LEU A 51 -13.399 -27.707 -5.177 1.00 0.00 C ATOM 866 CD2 LEU A 51 -15.481 -27.892 -6.527 1.00 0.00 C ATOM 0 H LEU A 51 -11.083 -27.170 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.024 -29.961 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.115 -27.121 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.836 -28.551 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.082 -29.504 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.972 -27.888 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.383 -28.078 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.371 -26.637 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.051 -28.061 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.439 -26.823 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.966 -28.406 -7.357 1.00 0.00 H new ATOM 878 N LEU A 52 -10.954 -27.646 -9.433 1.00 0.00 N ATOM 879 CA LEU A 52 -10.272 -27.517 -10.754 1.00 0.00 C ATOM 880 C LEU A 52 -8.790 -27.191 -10.552 1.00 0.00 C ATOM 881 O LEU A 52 -8.501 -26.314 -9.757 1.00 0.00 O ATOM 882 CB LEU A 52 -10.979 -26.364 -11.484 1.00 0.00 C ATOM 883 CG LEU A 52 -12.410 -26.765 -11.878 1.00 0.00 C ATOM 884 CD1 LEU A 52 -13.280 -26.931 -10.630 1.00 0.00 C ATOM 885 CD2 LEU A 52 -13.010 -25.679 -12.774 1.00 0.00 C ATOM 886 OXT LEU A 52 -7.972 -27.826 -11.198 1.00 0.00 O ATOM 0 H LEU A 52 -11.191 -26.765 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.326 -28.443 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.007 -25.483 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.414 -26.091 -12.375 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.377 -27.714 -12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.290 -27.215 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.857 -27.707 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.314 -25.989 -10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.025 -25.959 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.032 -24.733 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.401 -25.570 -13.672 1.00 0.00 H new TER 898 LEU A 52