USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 164:sc= -0.0234 (180deg=-0.404) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 160:sc= 0.276 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -76:sc= 1.28 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 11 GLN : amide:sc= -0.153 K(o=-0.15,f=-7.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.302 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00985 K(o=-0.0099,f=-0.52) USER MOD Single : A 22 SER OG : rot 180:sc= -0.277 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.134 (180deg=-0.914) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0568 K(o=-0.057,f=-0.81) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.063 6.315 2.064 1.00 0.00 N ATOM 2 CA SER A 1 -5.284 7.265 2.900 1.00 0.00 C ATOM 3 C SER A 1 -4.068 7.794 2.146 1.00 0.00 C ATOM 4 O SER A 1 -3.573 7.155 1.219 1.00 0.00 O ATOM 5 CB SER A 1 -4.843 6.545 4.177 1.00 0.00 C ATOM 6 OG SER A 1 -5.072 7.350 5.321 1.00 0.00 O ATOM 0 H1 SER A 1 -6.711 5.771 2.669 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.612 6.844 1.357 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.412 5.664 1.580 1.00 0.00 H new ATOM 0 HA SER A 1 -5.913 8.120 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.387 5.605 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.784 6.295 4.110 1.00 0.00 H new ATOM 0 HG SER A 1 -4.784 6.867 6.124 1.00 0.00 H new ATOM 14 N ALA A 2 -3.594 8.967 2.548 1.00 0.00 N ATOM 15 CA ALA A 2 -2.436 9.583 1.912 1.00 0.00 C ATOM 16 C ALA A 2 -1.150 9.284 2.679 1.00 0.00 C ATOM 17 O ALA A 2 -0.054 9.367 2.126 1.00 0.00 O ATOM 18 CB ALA A 2 -2.644 11.084 1.791 1.00 0.00 C ATOM 0 H ALA A 2 -3.994 9.511 3.312 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.333 9.155 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.773 11.535 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.530 11.281 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.778 11.514 2.784 1.00 0.00 H new ATOM 24 N ASP A 3 -1.291 8.945 3.958 1.00 0.00 N ATOM 25 CA ASP A 3 -0.140 8.641 4.804 1.00 0.00 C ATOM 26 C ASP A 3 0.762 7.589 4.165 1.00 0.00 C ATOM 27 O ASP A 3 1.980 7.614 4.342 1.00 0.00 O ATOM 28 CB ASP A 3 -0.608 8.162 6.181 1.00 0.00 C ATOM 29 CG ASP A 3 -0.476 9.237 7.243 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.653 9.727 7.455 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.502 9.589 7.862 1.00 0.00 O ATOM 0 H ASP A 3 -2.192 8.874 4.432 1.00 0.00 H new ATOM 0 HA ASP A 3 0.440 9.557 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.649 7.844 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.025 7.290 6.477 1.00 0.00 H new ATOM 36 N TYR A 4 0.159 6.663 3.425 1.00 0.00 N ATOM 37 CA TYR A 4 0.912 5.601 2.765 1.00 0.00 C ATOM 38 C TYR A 4 2.015 6.175 1.880 1.00 0.00 C ATOM 39 O TYR A 4 3.157 5.718 1.917 1.00 0.00 O ATOM 40 CB TYR A 4 -0.024 4.728 1.929 1.00 0.00 C ATOM 41 CG TYR A 4 -1.205 4.193 2.706 1.00 0.00 C ATOM 42 CD1 TYR A 4 -1.022 3.340 3.786 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.501 4.546 2.360 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.100 2.853 4.500 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.585 4.064 3.068 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.379 3.218 4.137 1.00 0.00 C ATOM 47 OH TYR A 4 -4.455 2.736 4.845 1.00 0.00 O ATOM 0 H TYR A 4 -0.848 6.626 3.267 1.00 0.00 H new ATOM 0 HA TYR A 4 1.377 4.990 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.390 5.309 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.542 3.890 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.021 3.053 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.665 5.209 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.942 2.190 5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.588 4.348 2.786 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.234 3.310 4.688 1.00 0.00 H new ATOM 57 N SER A 5 1.664 7.180 1.084 1.00 0.00 N ATOM 58 CA SER A 5 2.623 7.817 0.189 1.00 0.00 C ATOM 59 C SER A 5 3.802 8.398 0.967 1.00 0.00 C ATOM 60 O SER A 5 4.883 8.598 0.414 1.00 0.00 O ATOM 61 CB SER A 5 1.940 8.921 -0.620 1.00 0.00 C ATOM 62 OG SER A 5 2.539 9.064 -1.896 1.00 0.00 O ATOM 0 H SER A 5 0.723 7.571 1.041 1.00 0.00 H new ATOM 0 HA SER A 5 3.003 7.055 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.881 8.689 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.002 9.865 -0.078 1.00 0.00 H new ATOM 0 HG SER A 5 2.083 9.775 -2.394 1.00 0.00 H new ATOM 68 N SER A 6 3.587 8.670 2.251 1.00 0.00 N ATOM 69 CA SER A 6 4.633 9.231 3.098 1.00 0.00 C ATOM 70 C SER A 6 5.529 8.137 3.676 1.00 0.00 C ATOM 71 O SER A 6 6.660 8.403 4.082 1.00 0.00 O ATOM 72 CB SER A 6 4.013 10.052 4.231 1.00 0.00 C ATOM 73 OG SER A 6 3.681 9.230 5.339 1.00 0.00 O ATOM 0 H SER A 6 2.699 8.511 2.727 1.00 0.00 H new ATOM 0 HA SER A 6 5.250 9.881 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.712 10.827 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.118 10.558 3.869 1.00 0.00 H new ATOM 0 HG SER A 6 2.864 8.727 5.140 1.00 0.00 H new ATOM 79 N LEU A 7 5.020 6.908 3.712 1.00 0.00 N ATOM 80 CA LEU A 7 5.784 5.785 4.245 1.00 0.00 C ATOM 81 C LEU A 7 6.804 5.286 3.227 1.00 0.00 C ATOM 82 O LEU A 7 6.646 5.491 2.023 1.00 0.00 O ATOM 83 CB LEU A 7 4.852 4.637 4.647 1.00 0.00 C ATOM 84 CG LEU A 7 3.514 5.066 5.253 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.687 3.849 5.633 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.739 5.960 6.464 1.00 0.00 C ATOM 0 H LEU A 7 4.086 6.666 3.380 1.00 0.00 H new ATOM 0 HA LEU A 7 6.315 6.137 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.654 4.025 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.372 4.003 5.366 1.00 0.00 H new ATOM 0 HG LEU A 7 2.963 5.635 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.739 4.173 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.496 3.247 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.232 3.253 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.777 6.255 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.310 5.416 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.292 6.850 6.162 1.00 0.00 H new ATOM 98 N THR A 8 7.846 4.626 3.719 1.00 0.00 N ATOM 99 CA THR A 8 8.892 4.092 2.856 1.00 0.00 C ATOM 100 C THR A 8 8.394 2.858 2.113 1.00 0.00 C ATOM 101 O THR A 8 7.329 2.325 2.421 1.00 0.00 O ATOM 102 CB THR A 8 10.128 3.729 3.681 1.00 0.00 C ATOM 103 OG1 THR A 8 9.935 2.495 4.353 1.00 0.00 O ATOM 104 CG2 THR A 8 10.482 4.770 4.722 1.00 0.00 C ATOM 0 H THR A 8 7.989 4.448 4.713 1.00 0.00 H new ATOM 0 HA THR A 8 9.159 4.860 2.130 1.00 0.00 H new ATOM 0 HB THR A 8 10.947 3.666 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.736 2.278 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.368 4.449 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.684 5.722 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.649 4.889 5.415 1.00 0.00 H new ATOM 112 N VAL A 9 9.176 2.400 1.140 1.00 0.00 N ATOM 113 CA VAL A 9 8.808 1.220 0.369 1.00 0.00 C ATOM 114 C VAL A 9 8.693 0.006 1.283 1.00 0.00 C ATOM 115 O VAL A 9 7.773 -0.801 1.147 1.00 0.00 O ATOM 116 CB VAL A 9 9.833 0.927 -0.744 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.383 -0.253 -1.592 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.049 2.161 -1.607 1.00 0.00 C ATOM 0 H VAL A 9 10.062 2.826 0.869 1.00 0.00 H new ATOM 0 HA VAL A 9 7.844 1.422 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 9 10.783 0.665 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.121 -0.443 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.285 -1.137 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.421 -0.025 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.776 1.936 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.104 2.455 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.422 2.977 -0.988 1.00 0.00 H new ATOM 128 N VAL A 10 9.627 -0.109 2.220 1.00 0.00 N ATOM 129 CA VAL A 10 9.623 -1.215 3.167 1.00 0.00 C ATOM 130 C VAL A 10 8.396 -1.141 4.065 1.00 0.00 C ATOM 131 O VAL A 10 7.760 -2.156 4.351 1.00 0.00 O ATOM 132 CB VAL A 10 10.892 -1.217 4.040 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.952 -2.474 4.894 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.137 -1.092 3.175 1.00 0.00 C ATOM 0 H VAL A 10 10.396 0.550 2.343 1.00 0.00 H new ATOM 0 HA VAL A 10 9.599 -2.138 2.588 1.00 0.00 H new ATOM 0 HB VAL A 10 10.853 -0.355 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.855 -2.457 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.077 -2.515 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.966 -3.352 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.023 -1.095 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.184 -1.932 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.097 -0.159 2.613 1.00 0.00 H new ATOM 144 N GLN A 11 8.062 0.072 4.499 1.00 0.00 N ATOM 145 CA GLN A 11 6.902 0.280 5.356 1.00 0.00 C ATOM 146 C GLN A 11 5.624 -0.059 4.598 1.00 0.00 C ATOM 147 O GLN A 11 4.755 -0.768 5.107 1.00 0.00 O ATOM 148 CB GLN A 11 6.854 1.727 5.848 1.00 0.00 C ATOM 149 CG GLN A 11 7.601 1.951 7.152 1.00 0.00 C ATOM 150 CD GLN A 11 7.717 3.419 7.513 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.838 4.277 6.639 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.683 3.715 8.807 1.00 0.00 N ATOM 0 H GLN A 11 8.578 0.922 4.271 1.00 0.00 H new ATOM 0 HA GLN A 11 6.986 -0.378 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.276 2.377 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.813 2.023 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.088 1.423 7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.599 1.520 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.581 2.971 9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.759 4.686 9.110 1.00 0.00 H new ATOM 161 N LEU A 12 5.524 0.447 3.374 1.00 0.00 N ATOM 162 CA LEU A 12 4.359 0.194 2.536 1.00 0.00 C ATOM 163 C LEU A 12 4.231 -1.294 2.236 1.00 0.00 C ATOM 164 O LEU A 12 3.132 -1.850 2.251 1.00 0.00 O ATOM 165 CB LEU A 12 4.469 0.981 1.229 1.00 0.00 C ATOM 166 CG LEU A 12 3.920 2.407 1.286 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.694 3.315 0.343 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.438 2.419 0.946 1.00 0.00 C ATOM 0 H LEU A 12 6.236 1.035 2.940 1.00 0.00 H new ATOM 0 HA LEU A 12 3.469 0.520 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.518 1.023 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.940 0.435 0.448 1.00 0.00 H new ATOM 0 HG LEU A 12 4.043 2.785 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.289 4.326 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.745 3.329 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.603 2.942 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.063 3.441 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.292 2.023 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.895 1.801 1.662 1.00 0.00 H new ATOM 180 N LYS A 13 5.363 -1.936 1.967 1.00 0.00 N ATOM 181 CA LYS A 13 5.382 -3.362 1.667 1.00 0.00 C ATOM 182 C LYS A 13 4.926 -4.174 2.873 1.00 0.00 C ATOM 183 O LYS A 13 4.270 -5.206 2.728 1.00 0.00 O ATOM 184 CB LYS A 13 6.786 -3.799 1.243 1.00 0.00 C ATOM 185 CG LYS A 13 7.055 -3.626 -0.243 1.00 0.00 C ATOM 186 CD LYS A 13 7.940 -4.738 -0.782 1.00 0.00 C ATOM 187 CE LYS A 13 8.358 -4.469 -2.218 1.00 0.00 C ATOM 188 NZ LYS A 13 8.790 -5.714 -2.913 1.00 0.00 N ATOM 0 H LYS A 13 6.280 -1.490 1.951 1.00 0.00 H new ATOM 0 HA LYS A 13 4.691 -3.545 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.522 -3.225 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.927 -4.846 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.110 -3.616 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.533 -2.662 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.827 -4.835 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.407 -5.687 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.526 -4.020 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.173 -3.745 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.067 -5.488 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.600 -6.129 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.004 -6.395 -2.925 1.00 0.00 H new ATOM 202 N ASP A 14 5.275 -3.700 4.065 1.00 0.00 N ATOM 203 CA ASP A 14 4.897 -4.381 5.296 1.00 0.00 C ATOM 204 C ASP A 14 3.388 -4.323 5.497 1.00 0.00 C ATOM 205 O ASP A 14 2.750 -5.331 5.799 1.00 0.00 O ATOM 206 CB ASP A 14 5.609 -3.749 6.494 1.00 0.00 C ATOM 207 CG ASP A 14 5.511 -4.605 7.742 1.00 0.00 C ATOM 208 OD1 ASP A 14 4.394 -5.064 8.061 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.552 -4.816 8.400 1.00 0.00 O ATOM 0 H ASP A 14 5.818 -2.848 4.203 1.00 0.00 H new ATOM 0 HA ASP A 14 5.199 -5.425 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.659 -3.590 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.177 -2.769 6.694 1.00 0.00 H new ATOM 214 N LEU A 15 2.823 -3.133 5.321 1.00 0.00 N ATOM 215 CA LEU A 15 1.387 -2.939 5.476 1.00 0.00 C ATOM 216 C LEU A 15 0.618 -3.786 4.470 1.00 0.00 C ATOM 217 O LEU A 15 -0.426 -4.355 4.790 1.00 0.00 O ATOM 218 CB LEU A 15 1.030 -1.462 5.303 1.00 0.00 C ATOM 219 CG LEU A 15 1.111 -0.621 6.577 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.913 0.853 6.257 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.081 -1.090 7.594 1.00 0.00 C ATOM 0 H LEU A 15 3.338 -2.289 5.071 1.00 0.00 H new ATOM 0 HA LEU A 15 1.105 -3.255 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.696 -1.028 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.018 -1.393 4.905 1.00 0.00 H new ATOM 0 HG LEU A 15 2.103 -0.749 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.974 1.436 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.689 1.183 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.066 0.998 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.154 -0.479 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.919 -0.994 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.269 -2.133 7.847 1.00 0.00 H new ATOM 233 N LEU A 16 1.145 -3.869 3.254 1.00 0.00 N ATOM 234 CA LEU A 16 0.512 -4.652 2.200 1.00 0.00 C ATOM 235 C LEU A 16 0.506 -6.130 2.569 1.00 0.00 C ATOM 236 O LEU A 16 -0.503 -6.816 2.409 1.00 0.00 O ATOM 237 CB LEU A 16 1.242 -4.444 0.871 1.00 0.00 C ATOM 238 CG LEU A 16 0.772 -3.233 0.058 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.941 -2.304 -0.246 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.092 -3.678 -1.231 1.00 0.00 C ATOM 0 H LEU A 16 2.008 -3.404 2.974 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.519 -4.314 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.308 -4.337 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.121 -5.340 0.263 1.00 0.00 H new ATOM 0 HG LEU A 16 0.044 -2.685 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.587 -1.450 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.379 -1.953 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.694 -2.843 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.233 -2.802 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.795 -4.254 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.773 -4.297 -0.991 1.00 0.00 H new ATOM 252 N THR A 17 1.635 -6.614 3.076 1.00 0.00 N ATOM 253 CA THR A 17 1.747 -8.011 3.477 1.00 0.00 C ATOM 254 C THR A 17 0.705 -8.334 4.540 1.00 0.00 C ATOM 255 O THR A 17 0.042 -9.371 4.485 1.00 0.00 O ATOM 256 CB THR A 17 3.152 -8.307 4.009 1.00 0.00 C ATOM 257 OG1 THR A 17 3.802 -7.112 4.409 1.00 0.00 O ATOM 258 CG2 THR A 17 4.040 -9.000 2.997 1.00 0.00 C ATOM 0 H THR A 17 2.481 -6.063 3.218 1.00 0.00 H new ATOM 0 HA THR A 17 1.569 -8.638 2.603 1.00 0.00 H new ATOM 0 HB THR A 17 3.005 -8.976 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.346 -6.738 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.021 -9.181 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.591 -9.950 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.149 -8.368 2.115 1.00 0.00 H new ATOM 266 N LYS A 18 0.558 -7.429 5.499 1.00 0.00 N ATOM 267 CA LYS A 18 -0.412 -7.600 6.571 1.00 0.00 C ATOM 268 C LYS A 18 -1.836 -7.500 6.030 1.00 0.00 C ATOM 269 O LYS A 18 -2.762 -8.098 6.576 1.00 0.00 O ATOM 270 CB LYS A 18 -0.192 -6.548 7.660 1.00 0.00 C ATOM 271 CG LYS A 18 -0.384 -7.083 9.070 1.00 0.00 C ATOM 272 CD LYS A 18 -1.157 -6.102 9.938 1.00 0.00 C ATOM 273 CE LYS A 18 -0.223 -5.273 10.806 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.129 -5.809 12.191 1.00 0.00 N ATOM 0 H LYS A 18 1.100 -6.567 5.556 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.272 -8.591 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.817 -6.146 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.881 -5.719 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.917 -8.033 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.588 -7.281 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.749 -5.442 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.856 -6.647 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.770 -5.255 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.577 -4.243 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.517 -5.216 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.072 -5.803 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.233 -6.783 12.162 1.00 0.00 H new ATOM 288 N ARG A 19 -2.001 -6.737 4.951 1.00 0.00 N ATOM 289 CA ARG A 19 -3.312 -6.554 4.336 1.00 0.00 C ATOM 290 C ARG A 19 -3.561 -7.583 3.231 1.00 0.00 C ATOM 291 O ARG A 19 -4.651 -7.636 2.660 1.00 0.00 O ATOM 292 CB ARG A 19 -3.429 -5.138 3.768 1.00 0.00 C ATOM 293 CG ARG A 19 -4.305 -4.217 4.603 1.00 0.00 C ATOM 294 CD ARG A 19 -3.515 -3.560 5.725 1.00 0.00 C ATOM 295 NE ARG A 19 -3.708 -2.113 5.755 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.775 -1.518 6.283 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.747 -2.242 6.824 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.870 -0.195 6.270 1.00 0.00 N ATOM 0 H ARG A 19 -1.244 -6.237 4.486 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.068 -6.700 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.432 -4.704 3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.834 -5.193 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.739 -3.448 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.134 -4.786 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.820 -3.986 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.455 -3.782 5.600 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.982 -1.523 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.678 -3.260 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.562 -1.781 7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.126 0.366 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.688 0.262 6.674 1.00 0.00 H new ATOM 312 N ASN A 20 -2.553 -8.399 2.932 1.00 0.00 N ATOM 313 CA ASN A 20 -2.673 -9.421 1.898 1.00 0.00 C ATOM 314 C ASN A 20 -2.844 -8.786 0.521 1.00 0.00 C ATOM 315 O ASN A 20 -3.677 -9.219 -0.276 1.00 0.00 O ATOM 316 CB ASN A 20 -3.855 -10.348 2.198 1.00 0.00 C ATOM 317 CG ASN A 20 -3.807 -10.908 3.606 1.00 0.00 C ATOM 318 OD1 ASN A 20 -4.332 -10.307 4.543 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.176 -12.065 3.762 1.00 0.00 N ATOM 0 H ASN A 20 -1.643 -8.371 3.392 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.754 -10.007 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.787 -9.800 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.859 -11.170 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.112 -12.490 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.755 -12.529 2.957 1.00 0.00 H new ATOM 326 N LEU A 21 -2.047 -7.759 0.246 1.00 0.00 N ATOM 327 CA LEU A 21 -2.108 -7.066 -1.037 1.00 0.00 C ATOM 328 C LEU A 21 -0.817 -7.262 -1.823 1.00 0.00 C ATOM 329 O LEU A 21 0.262 -7.389 -1.243 1.00 0.00 O ATOM 330 CB LEU A 21 -2.366 -5.573 -0.820 1.00 0.00 C ATOM 331 CG LEU A 21 -3.724 -5.233 -0.206 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.762 -3.779 0.237 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.842 -5.519 -1.198 1.00 0.00 C ATOM 0 H LEU A 21 -1.352 -7.388 0.893 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.930 -7.491 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.583 -5.175 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.280 -5.062 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.872 -5.862 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.737 -3.556 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.985 -3.605 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.592 -3.132 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.802 -5.272 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.697 -4.915 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.829 -6.575 -1.466 1.00 0.00 H new ATOM 345 N SER A 22 -0.933 -7.287 -3.148 1.00 0.00 N ATOM 346 CA SER A 22 0.226 -7.470 -4.014 1.00 0.00 C ATOM 347 C SER A 22 1.216 -6.320 -3.849 1.00 0.00 C ATOM 348 O SER A 22 0.855 -5.153 -3.988 1.00 0.00 O ATOM 349 CB SER A 22 -0.215 -7.572 -5.475 1.00 0.00 C ATOM 350 OG SER A 22 -1.409 -6.843 -5.701 1.00 0.00 O ATOM 0 H SER A 22 -1.818 -7.183 -3.644 1.00 0.00 H new ATOM 0 HA SER A 22 0.722 -8.397 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.575 -7.192 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.369 -8.618 -5.739 1.00 0.00 H new ATOM 0 HG SER A 22 -1.668 -6.923 -6.643 1.00 0.00 H new ATOM 356 N VAL A 23 2.466 -6.662 -3.552 1.00 0.00 N ATOM 357 CA VAL A 23 3.509 -5.659 -3.368 1.00 0.00 C ATOM 358 C VAL A 23 4.467 -5.627 -4.557 1.00 0.00 C ATOM 359 O VAL A 23 5.584 -5.122 -4.449 1.00 0.00 O ATOM 360 CB VAL A 23 4.316 -5.920 -2.083 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.466 -5.645 -0.853 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.845 -7.346 -2.066 1.00 0.00 C ATOM 0 H VAL A 23 2.781 -7.625 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 23 3.006 -4.695 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 23 5.168 -5.240 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.054 -5.835 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.141 -4.605 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.593 -6.298 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.413 -7.513 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.009 -8.045 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.493 -7.504 -2.928 1.00 0.00 H new ATOM 372 N GLY A 24 4.026 -6.169 -5.689 1.00 0.00 N ATOM 373 CA GLY A 24 4.862 -6.189 -6.874 1.00 0.00 C ATOM 374 C GLY A 24 4.869 -4.861 -7.608 1.00 0.00 C ATOM 375 O GLY A 24 5.831 -4.533 -8.301 1.00 0.00 O ATOM 0 H GLY A 24 3.106 -6.594 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.882 -6.448 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.511 -6.970 -7.548 1.00 0.00 H new ATOM 379 N GLY A 25 3.793 -4.095 -7.454 1.00 0.00 N ATOM 380 CA GLY A 25 3.699 -2.807 -8.114 1.00 0.00 C ATOM 381 C GLY A 25 4.653 -1.783 -7.529 1.00 0.00 C ATOM 382 O GLY A 25 5.211 -1.988 -6.452 1.00 0.00 O ATOM 0 H GLY A 25 2.985 -4.344 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.910 -2.930 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.678 -2.435 -8.033 1.00 0.00 H new ATOM 386 N LEU A 26 4.839 -0.676 -8.242 1.00 0.00 N ATOM 387 CA LEU A 26 5.731 0.385 -7.788 1.00 0.00 C ATOM 388 C LEU A 26 5.169 1.075 -6.550 1.00 0.00 C ATOM 389 O LEU A 26 4.011 0.871 -6.186 1.00 0.00 O ATOM 390 CB LEU A 26 5.944 1.410 -8.904 1.00 0.00 C ATOM 391 CG LEU A 26 6.744 0.903 -10.105 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.215 1.511 -11.395 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.222 1.219 -9.932 1.00 0.00 C ATOM 0 H LEU A 26 4.384 -0.491 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 26 6.689 -0.065 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.970 1.751 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.455 2.278 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 26 6.628 -0.179 -10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.797 1.138 -12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.169 1.234 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.300 2.597 -11.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.776 0.851 -10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.356 2.297 -9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.594 0.735 -9.029 1.00 0.00 H new ATOM 405 N LYS A 27 5.997 1.894 -5.906 1.00 0.00 N ATOM 406 CA LYS A 27 5.584 2.617 -4.705 1.00 0.00 C ATOM 407 C LYS A 27 4.235 3.298 -4.911 1.00 0.00 C ATOM 408 O LYS A 27 3.373 3.268 -4.032 1.00 0.00 O ATOM 409 CB LYS A 27 6.640 3.657 -4.323 1.00 0.00 C ATOM 410 CG LYS A 27 6.702 3.939 -2.831 1.00 0.00 C ATOM 411 CD LYS A 27 7.353 5.284 -2.545 1.00 0.00 C ATOM 412 CE LYS A 27 6.658 6.008 -1.404 1.00 0.00 C ATOM 413 NZ LYS A 27 5.262 6.388 -1.757 1.00 0.00 N ATOM 0 H LYS A 27 6.958 2.074 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 27 5.483 1.894 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.617 3.311 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.431 4.587 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.695 3.925 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.264 3.148 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.404 5.135 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.322 5.902 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.648 5.369 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.223 6.903 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.998 7.255 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.196 6.556 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.615 5.619 -1.491 1.00 0.00 H new ATOM 427 N ASN A 28 4.058 3.909 -6.077 1.00 0.00 N ATOM 428 CA ASN A 28 2.811 4.592 -6.400 1.00 0.00 C ATOM 429 C ASN A 28 1.654 3.601 -6.465 1.00 0.00 C ATOM 430 O ASN A 28 0.537 3.905 -6.045 1.00 0.00 O ATOM 431 CB ASN A 28 2.941 5.335 -7.731 1.00 0.00 C ATOM 432 CG ASN A 28 2.002 6.521 -7.824 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.384 7.655 -7.531 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.765 6.267 -8.233 1.00 0.00 N ATOM 0 H ASN A 28 4.762 3.945 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 28 2.604 5.315 -5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.968 5.678 -7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.735 4.646 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.089 7.026 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.491 5.313 -8.466 1.00 0.00 H new ATOM 441 N GLU A 29 1.933 2.410 -6.986 1.00 0.00 N ATOM 442 CA GLU A 29 0.920 1.370 -7.098 1.00 0.00 C ATOM 443 C GLU A 29 0.560 0.838 -5.719 1.00 0.00 C ATOM 444 O GLU A 29 -0.595 0.511 -5.446 1.00 0.00 O ATOM 445 CB GLU A 29 1.422 0.230 -7.988 1.00 0.00 C ATOM 446 CG GLU A 29 1.012 0.370 -9.445 1.00 0.00 C ATOM 447 CD GLU A 29 0.210 -0.815 -9.944 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.714 -1.954 -9.850 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.921 -0.605 -10.429 1.00 0.00 O ATOM 0 H GLU A 29 2.853 2.143 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 29 0.028 1.801 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.509 0.185 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.042 -0.716 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.423 1.279 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.905 0.484 -10.060 1.00 0.00 H new ATOM 456 N LEU A 30 1.562 0.763 -4.851 1.00 0.00 N ATOM 457 CA LEU A 30 1.364 0.280 -3.493 1.00 0.00 C ATOM 458 C LEU A 30 0.432 1.212 -2.726 1.00 0.00 C ATOM 459 O LEU A 30 -0.506 0.764 -2.065 1.00 0.00 O ATOM 460 CB LEU A 30 2.708 0.173 -2.771 1.00 0.00 C ATOM 461 CG LEU A 30 3.717 -0.779 -3.415 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.074 -0.654 -2.739 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.217 -2.213 -3.347 1.00 0.00 C ATOM 0 H LEU A 30 2.522 1.032 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 30 0.907 -0.708 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.153 1.166 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.527 -0.153 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 30 3.828 -0.504 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.780 -1.339 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.438 0.368 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.978 -0.902 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.948 -2.876 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.076 -2.500 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.268 -2.293 -3.877 1.00 0.00 H new ATOM 475 N VAL A 31 0.695 2.511 -2.824 1.00 0.00 N ATOM 476 CA VAL A 31 -0.122 3.508 -2.145 1.00 0.00 C ATOM 477 C VAL A 31 -1.549 3.488 -2.675 1.00 0.00 C ATOM 478 O VAL A 31 -2.510 3.524 -1.908 1.00 0.00 O ATOM 479 CB VAL A 31 0.460 4.924 -2.315 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.317 5.927 -1.474 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.937 4.944 -1.951 1.00 0.00 C ATOM 0 H VAL A 31 1.467 2.897 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.123 3.254 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 31 0.364 5.211 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.109 6.921 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.361 5.934 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.257 5.645 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.329 5.953 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.060 4.634 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.481 4.259 -2.601 1.00 0.00 H new ATOM 491 N GLN A 32 -1.677 3.423 -3.994 1.00 0.00 N ATOM 492 CA GLN A 32 -2.986 3.392 -4.635 1.00 0.00 C ATOM 493 C GLN A 32 -3.746 2.129 -4.249 1.00 0.00 C ATOM 494 O GLN A 32 -4.968 2.149 -4.104 1.00 0.00 O ATOM 495 CB GLN A 32 -2.836 3.469 -6.155 1.00 0.00 C ATOM 496 CG GLN A 32 -2.795 4.890 -6.692 1.00 0.00 C ATOM 497 CD GLN A 32 -4.151 5.566 -6.655 1.00 0.00 C ATOM 498 OE1 GLN A 32 -5.179 4.936 -6.903 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.160 6.858 -6.345 1.00 0.00 N ATOM 0 H GLN A 32 -0.890 3.391 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.554 4.257 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.922 2.952 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.666 2.937 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.085 5.475 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.428 4.876 -7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.284 7.341 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.043 7.367 -6.305 1.00 0.00 H new ATOM 508 N ARG A 33 -3.016 1.030 -4.078 1.00 0.00 N ATOM 509 CA ARG A 33 -3.632 -0.237 -3.703 1.00 0.00 C ATOM 510 C ARG A 33 -4.222 -0.145 -2.301 1.00 0.00 C ATOM 511 O ARG A 33 -5.357 -0.560 -2.065 1.00 0.00 O ATOM 512 CB ARG A 33 -2.607 -1.370 -3.767 1.00 0.00 C ATOM 513 CG ARG A 33 -3.180 -2.680 -4.284 1.00 0.00 C ATOM 514 CD ARG A 33 -2.097 -3.733 -4.461 1.00 0.00 C ATOM 515 NE ARG A 33 -2.151 -4.357 -5.780 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.668 -3.796 -6.887 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.093 -2.601 -6.836 1.00 0.00 N ATOM 518 NH2 ARG A 33 -1.759 -4.432 -8.046 1.00 0.00 N ATOM 0 H ARG A 33 -2.003 0.992 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.434 -0.451 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.781 -1.066 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.194 -1.532 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.935 -3.047 -3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.681 -2.508 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.119 -3.275 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.207 -4.499 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.584 -5.277 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.019 -2.108 -5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.725 -2.176 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.199 -5.351 -8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.389 -4.002 -8.894 1.00 0.00 H new ATOM 532 N LEU A 34 -3.452 0.421 -1.378 1.00 0.00 N ATOM 533 CA LEU A 34 -3.908 0.589 -0.004 1.00 0.00 C ATOM 534 C LEU A 34 -5.047 1.598 0.045 1.00 0.00 C ATOM 535 O LEU A 34 -5.987 1.459 0.827 1.00 0.00 O ATOM 536 CB LEU A 34 -2.755 1.053 0.889 1.00 0.00 C ATOM 537 CG LEU A 34 -1.824 -0.060 1.375 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.393 0.447 1.472 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.293 -0.597 2.719 1.00 0.00 C ATOM 0 H LEU A 34 -2.511 0.771 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.267 -0.372 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.164 1.787 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.171 1.563 1.758 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.852 -0.874 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.255 -0.358 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.059 0.784 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.348 1.278 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.620 -1.388 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.294 0.209 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.302 -0.998 2.619 1.00 0.00 H new ATOM 551 N ILE A 35 -4.951 2.612 -0.809 1.00 0.00 N ATOM 552 CA ILE A 35 -5.963 3.655 -0.888 1.00 0.00 C ATOM 553 C ILE A 35 -7.287 3.088 -1.396 1.00 0.00 C ATOM 554 O ILE A 35 -8.353 3.407 -0.870 1.00 0.00 O ATOM 555 CB ILE A 35 -5.498 4.802 -1.816 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.339 5.565 -1.171 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.645 5.750 -2.139 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.447 6.267 -2.172 1.00 0.00 C ATOM 0 H ILE A 35 -4.175 2.732 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.111 4.051 0.117 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.155 4.363 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.742 6.302 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.738 4.869 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.287 6.545 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.442 5.200 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.029 6.185 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.647 6.787 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.015 5.533 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.035 6.987 -2.741 1.00 0.00 H new ATOM 570 N LYS A 36 -7.209 2.242 -2.419 1.00 0.00 N ATOM 571 CA LYS A 36 -8.400 1.629 -2.995 1.00 0.00 C ATOM 572 C LYS A 36 -9.065 0.687 -1.997 1.00 0.00 C ATOM 573 O LYS A 36 -10.286 0.687 -1.844 1.00 0.00 O ATOM 574 CB LYS A 36 -8.041 0.871 -4.276 1.00 0.00 C ATOM 575 CG LYS A 36 -8.842 1.313 -5.489 1.00 0.00 C ATOM 576 CD LYS A 36 -7.986 1.336 -6.745 1.00 0.00 C ATOM 577 CE LYS A 36 -8.786 0.930 -7.972 1.00 0.00 C ATOM 578 NZ LYS A 36 -8.353 1.672 -9.188 1.00 0.00 N ATOM 0 H LYS A 36 -6.334 1.966 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.106 2.423 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.979 1.006 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.201 -0.195 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.685 0.638 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.255 2.306 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.578 2.336 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.139 0.661 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.673 -0.141 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.845 1.114 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.923 1.366 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.484 2.693 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.349 1.476 -9.375 1.00 0.00 H new ATOM 592 N ASP A 37 -8.251 -0.116 -1.318 1.00 0.00 N ATOM 593 CA ASP A 37 -8.759 -1.064 -0.334 1.00 0.00 C ATOM 594 C ASP A 37 -9.412 -0.336 0.837 1.00 0.00 C ATOM 595 O ASP A 37 -10.438 -0.773 1.358 1.00 0.00 O ATOM 596 CB ASP A 37 -7.628 -1.960 0.175 1.00 0.00 C ATOM 597 CG ASP A 37 -8.081 -3.388 0.405 1.00 0.00 C ATOM 598 OD1 ASP A 37 -8.757 -3.947 -0.484 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.758 -3.948 1.474 1.00 0.00 O ATOM 0 H ASP A 37 -7.237 -0.129 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.513 -1.683 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.810 -1.953 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.236 -1.552 1.106 1.00 0.00 H new ATOM 604 N ASP A 38 -8.811 0.777 1.244 1.00 0.00 N ATOM 605 CA ASP A 38 -9.334 1.566 2.352 1.00 0.00 C ATOM 606 C ASP A 38 -10.638 2.252 1.964 1.00 0.00 C ATOM 607 O ASP A 38 -11.581 2.311 2.753 1.00 0.00 O ATOM 608 CB ASP A 38 -8.307 2.610 2.794 1.00 0.00 C ATOM 609 CG ASP A 38 -7.427 2.114 3.925 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.273 2.849 4.923 1.00 0.00 O ATOM 611 OD2 ASP A 38 -6.895 0.990 3.814 1.00 0.00 O ATOM 0 H ASP A 38 -7.961 1.153 0.823 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.534 0.889 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.682 2.883 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.826 3.514 3.111 1.00 0.00 H new ATOM 616 N GLU A 39 -10.685 2.768 0.741 1.00 0.00 N ATOM 617 CA GLU A 39 -11.873 3.450 0.244 1.00 0.00 C ATOM 618 C GLU A 39 -13.002 2.458 -0.013 1.00 0.00 C ATOM 619 O GLU A 39 -14.174 2.765 0.208 1.00 0.00 O ATOM 620 CB GLU A 39 -11.548 4.216 -1.039 1.00 0.00 C ATOM 621 CG GLU A 39 -11.087 5.644 -0.796 1.00 0.00 C ATOM 622 CD GLU A 39 -10.590 6.321 -2.058 1.00 0.00 C ATOM 623 OE1 GLU A 39 -9.598 7.074 -1.977 1.00 0.00 O ATOM 624 OE2 GLU A 39 -11.193 6.096 -3.129 1.00 0.00 O ATOM 0 H GLU A 39 -9.913 2.727 0.075 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.202 4.156 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.771 3.680 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.432 4.232 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.912 6.222 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.291 5.643 -0.052 1.00 0.00 H new ATOM 631 N GLU A 40 -12.642 1.269 -0.482 1.00 0.00 N ATOM 632 CA GLU A 40 -13.624 0.231 -0.768 1.00 0.00 C ATOM 633 C GLU A 40 -14.283 -0.265 0.515 1.00 0.00 C ATOM 634 O GLU A 40 -15.485 -0.530 0.546 1.00 0.00 O ATOM 635 CB GLU A 40 -12.962 -0.939 -1.501 1.00 0.00 C ATOM 636 CG GLU A 40 -13.087 -0.858 -3.014 1.00 0.00 C ATOM 637 CD GLU A 40 -13.246 -2.220 -3.659 1.00 0.00 C ATOM 638 OE1 GLU A 40 -12.232 -2.940 -3.783 1.00 0.00 O ATOM 639 OE2 GLU A 40 -14.384 -2.568 -4.040 1.00 0.00 O ATOM 0 H GLU A 40 -11.677 1.000 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.395 0.662 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.906 -0.974 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.409 -1.872 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.944 -0.236 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.203 -0.368 -3.422 1.00 0.00 H new ATOM 646 N SER A 41 -13.486 -0.384 1.570 1.00 0.00 N ATOM 647 CA SER A 41 -13.989 -0.847 2.859 1.00 0.00 C ATOM 648 C SER A 41 -14.919 0.187 3.484 1.00 0.00 C ATOM 649 O SER A 41 -15.876 -0.161 4.176 1.00 0.00 O ATOM 650 CB SER A 41 -12.825 -1.143 3.807 1.00 0.00 C ATOM 651 OG SER A 41 -13.206 -2.068 4.809 1.00 0.00 O ATOM 0 H SER A 41 -12.489 -0.167 1.559 1.00 0.00 H new ATOM 0 HA SER A 41 -14.555 -1.763 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.983 -1.542 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.486 -0.217 4.272 1.00 0.00 H new ATOM 0 HG SER A 41 -12.444 -2.241 5.401 1.00 0.00 H new ATOM 657 N LYS A 42 -14.631 1.460 3.235 1.00 0.00 N ATOM 658 CA LYS A 42 -15.443 2.546 3.773 1.00 0.00 C ATOM 659 C LYS A 42 -16.761 2.678 3.014 1.00 0.00 C ATOM 660 O LYS A 42 -17.727 3.245 3.525 1.00 0.00 O ATOM 661 CB LYS A 42 -14.672 3.866 3.711 1.00 0.00 C ATOM 662 CG LYS A 42 -15.110 4.877 4.757 1.00 0.00 C ATOM 663 CD LYS A 42 -15.108 6.292 4.200 1.00 0.00 C ATOM 664 CE LYS A 42 -15.270 7.326 5.304 1.00 0.00 C ATOM 665 NZ LYS A 42 -16.141 8.456 4.883 1.00 0.00 N ATOM 0 H LYS A 42 -13.842 1.765 2.665 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.669 2.311 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.609 3.662 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.797 4.304 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.110 4.626 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.444 4.823 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.175 6.472 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.916 6.401 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.695 6.850 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.290 7.710 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.226 9.138 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.723 8.927 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.084 8.094 4.636 1.00 0.00 H new ATOM 679 N GLY A 43 -16.795 2.153 1.792 1.00 0.00 N ATOM 680 CA GLY A 43 -18.000 2.227 0.987 1.00 0.00 C ATOM 681 C GLY A 43 -17.840 3.134 -0.217 1.00 0.00 C ATOM 682 O GLY A 43 -16.824 3.815 -0.358 1.00 0.00 O ATOM 0 H GLY A 43 -16.010 1.678 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -18.270 1.226 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -18.823 2.589 1.603 1.00 0.00 H new ATOM 686 N GLU A 44 -18.845 3.144 -1.087 1.00 0.00 N ATOM 687 CA GLU A 44 -18.811 3.974 -2.284 1.00 0.00 C ATOM 688 C GLU A 44 -20.177 4.597 -2.555 1.00 0.00 C ATOM 689 O GLU A 44 -21.208 3.942 -2.410 1.00 0.00 O ATOM 690 CB GLU A 44 -18.366 3.147 -3.492 1.00 0.00 C ATOM 691 CG GLU A 44 -19.172 1.872 -3.685 1.00 0.00 C ATOM 692 CD GLU A 44 -19.186 1.404 -5.126 1.00 0.00 C ATOM 693 OE1 GLU A 44 -18.116 1.001 -5.630 1.00 0.00 O ATOM 694 OE2 GLU A 44 -20.266 1.439 -5.752 1.00 0.00 O ATOM 0 H GLU A 44 -19.693 2.586 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.093 4.777 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.448 3.758 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.313 2.888 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.757 1.085 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.196 2.040 -3.351 1.00 0.00 H new ATOM 701 N SER A 45 -20.175 5.866 -2.949 1.00 0.00 N ATOM 702 CA SER A 45 -21.414 6.577 -3.240 1.00 0.00 C ATOM 703 C SER A 45 -21.569 6.809 -4.739 1.00 0.00 C ATOM 704 O SER A 45 -20.675 7.350 -5.389 1.00 0.00 O ATOM 705 CB SER A 45 -21.445 7.916 -2.499 1.00 0.00 C ATOM 706 OG SER A 45 -21.407 7.723 -1.095 1.00 0.00 O ATOM 0 H SER A 45 -19.330 6.423 -3.074 1.00 0.00 H new ATOM 0 HA SER A 45 -22.246 5.961 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 45 -20.596 8.526 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 45 -22.347 8.464 -2.770 1.00 0.00 H new ATOM 0 HG SER A 45 -21.426 8.593 -0.645 1.00 0.00 H new ATOM 712 N GLU A 46 -22.708 6.394 -5.282 1.00 0.00 N ATOM 713 CA GLU A 46 -22.980 6.558 -6.706 1.00 0.00 C ATOM 714 C GLU A 46 -24.440 6.928 -6.942 1.00 0.00 C ATOM 715 O GLU A 46 -25.349 6.191 -6.559 1.00 0.00 O ATOM 716 CB GLU A 46 -22.640 5.271 -7.461 1.00 0.00 C ATOM 717 CG GLU A 46 -21.183 4.857 -7.333 1.00 0.00 C ATOM 718 CD GLU A 46 -20.572 4.448 -8.659 1.00 0.00 C ATOM 719 OE1 GLU A 46 -20.603 5.265 -9.603 1.00 0.00 O ATOM 720 OE2 GLU A 46 -20.064 3.311 -8.752 1.00 0.00 O ATOM 0 H GLU A 46 -23.458 5.942 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -22.354 7.368 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -23.272 4.464 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.880 5.404 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.610 5.684 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.106 4.027 -6.631 1.00 0.00 H new ATOM 727 N VAL A 47 -24.659 8.076 -7.577 1.00 0.00 N ATOM 728 CA VAL A 47 -26.008 8.545 -7.865 1.00 0.00 C ATOM 729 C VAL A 47 -26.041 9.375 -9.144 1.00 0.00 C ATOM 730 O VAL A 47 -25.193 10.242 -9.354 1.00 0.00 O ATOM 731 CB VAL A 47 -26.569 9.389 -6.705 1.00 0.00 C ATOM 732 CG1 VAL A 47 -26.871 8.510 -5.501 1.00 0.00 C ATOM 733 CG2 VAL A 47 -25.599 10.499 -6.334 1.00 0.00 C ATOM 0 H VAL A 47 -23.918 8.698 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 47 -26.629 7.659 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 47 -27.502 9.848 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -27.266 9.124 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -27.608 7.756 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -25.956 8.019 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -26.013 11.084 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -24.648 10.064 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -25.439 11.146 -7.196 1.00 0.00 H new ATOM 743 N SER A 48 -27.025 9.102 -9.995 1.00 0.00 N ATOM 744 CA SER A 48 -27.168 9.825 -11.254 1.00 0.00 C ATOM 745 C SER A 48 -25.944 9.618 -12.143 1.00 0.00 C ATOM 746 O SER A 48 -24.848 9.348 -11.651 1.00 0.00 O ATOM 747 CB SER A 48 -27.376 11.318 -10.990 1.00 0.00 C ATOM 748 OG SER A 48 -28.756 11.636 -10.922 1.00 0.00 O ATOM 0 H SER A 48 -27.734 8.386 -9.836 1.00 0.00 H new ATOM 0 HA SER A 48 -28.042 9.431 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 -26.889 11.597 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.904 11.900 -11.782 1.00 0.00 H new ATOM 0 HG SER A 48 -28.863 12.595 -10.751 1.00 0.00 H new ATOM 754 N PRO A 49 -26.115 9.746 -13.470 1.00 0.00 N ATOM 755 CA PRO A 49 -25.019 9.573 -14.428 1.00 0.00 C ATOM 756 C PRO A 49 -23.808 10.433 -14.083 1.00 0.00 C ATOM 757 O PRO A 49 -22.718 9.918 -13.833 1.00 0.00 O ATOM 758 CB PRO A 49 -25.631 10.021 -15.757 1.00 0.00 C ATOM 759 CG PRO A 49 -27.096 9.806 -15.591 1.00 0.00 C ATOM 760 CD PRO A 49 -27.389 10.068 -14.140 1.00 0.00 C ATOM 0 HA PRO A 49 -24.647 8.548 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -25.405 11.067 -15.964 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -25.237 9.439 -16.590 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -27.665 10.479 -16.232 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -27.376 8.790 -15.869 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -27.682 11.104 -13.970 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -28.204 9.443 -13.775 1.00 0.00 H new ATOM 768 N GLN A 50 -24.006 11.747 -14.072 1.00 0.00 N ATOM 769 CA GLN A 50 -22.930 12.680 -13.758 1.00 0.00 C ATOM 770 C GLN A 50 -22.711 12.770 -12.252 1.00 0.00 C ATOM 771 O GLN A 50 -21.543 12.917 -11.832 1.00 0.00 O ATOM 772 CB GLN A 50 -23.247 14.066 -14.326 1.00 0.00 C ATOM 773 CG GLN A 50 -22.068 14.718 -15.031 1.00 0.00 C ATOM 774 CD GLN A 50 -22.447 15.313 -16.373 1.00 0.00 C ATOM 775 OE1 GLN A 50 -23.118 14.673 -17.182 1.00 0.00 O ATOM 776 NE2 GLN A 50 -22.016 16.546 -16.616 1.00 0.00 N ATOM 777 OXT GLN A 50 -23.707 12.695 -11.503 1.00 0.00 O ATOM 0 H GLN A 50 -24.902 12.190 -14.277 1.00 0.00 H new ATOM 0 HA GLN A 50 -22.014 12.309 -14.217 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.077 13.981 -15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -23.579 14.715 -13.515 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -21.656 15.501 -14.394 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -21.281 13.978 -15.175 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.462 17.040 -15.916 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -22.239 16.999 -17.502 1.00 0.00 H new TER 786 GLN A 50