USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -170:sc= -0.137 USER MOD Single : A 7 GLN : amide:sc= -0.53 K(o=-0.53,f=-3.5) USER MOD Single : A 8 MET CE :methyl 164:sc= -2.22! (180deg=-3.08!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.38) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.91 USER MOD Single : A 19 SER OG : rot -86:sc= 0.851 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00578) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.12) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-4.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00473 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.621 K(o=0.62,f=-3.7!) USER MOD Single : A 52 TYR OH : rot 52:sc= -5.65! USER MOD Single : A 54 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.3) USER MOD Single : A 55 SER OG : rot 68:sc= 0.996 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -17.9! C(o=-18!,f=-16!) USER MOD Single : A 68 THR OG1 : rot 105:sc= -1.15! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.785 3.394 -4.024 1.00 0.00 N ATOM 2 CA ARG A 1 12.457 3.770 -3.568 1.00 0.00 C ATOM 3 C ARG A 1 12.372 5.284 -3.370 1.00 0.00 C ATOM 4 O ARG A 1 12.680 5.791 -2.293 1.00 0.00 O ATOM 5 CB ARG A 1 12.109 3.070 -2.252 1.00 0.00 C ATOM 6 CG ARG A 1 11.518 1.682 -2.510 1.00 0.00 C ATOM 7 CD ARG A 1 11.067 1.027 -1.202 1.00 0.00 C ATOM 8 NE ARG A 1 10.600 -0.354 -1.463 1.00 0.00 N ATOM 9 CZ ARG A 1 11.417 -1.403 -1.634 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.745 -1.235 -1.573 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.905 -2.619 -1.865 1.00 0.00 N ATOM 0 H1 ARG A 1 13.828 2.363 -4.154 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.988 3.866 -4.928 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.490 3.683 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 1 11.744 3.460 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.004 2.980 -1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.396 3.675 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.671 1.764 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.260 1.052 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.892 1.012 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.266 1.612 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 1 9.595 -0.517 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.134 -0.309 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.367 -2.033 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.894 -2.746 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.526 -3.418 -1.995 1.00 0.00 H new ATOM 25 N SER A 2 11.953 5.964 -4.427 1.00 0.00 N ATOM 26 CA SER A 2 11.822 7.410 -4.383 1.00 0.00 C ATOM 27 C SER A 2 10.391 7.819 -4.736 1.00 0.00 C ATOM 28 O SER A 2 10.151 8.945 -5.167 1.00 0.00 O ATOM 29 CB SER A 2 12.816 8.082 -5.334 1.00 0.00 C ATOM 30 OG SER A 2 13.127 9.412 -4.929 1.00 0.00 O ATOM 0 H SER A 2 11.700 5.540 -5.319 1.00 0.00 H new ATOM 0 HA SER A 2 12.047 7.742 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.732 7.493 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.400 8.098 -6.341 1.00 0.00 H new ATOM 0 HG SER A 2 13.765 9.805 -5.560 1.00 0.00 H new ATOM 36 N ALA A 3 9.477 6.880 -4.540 1.00 0.00 N ATOM 37 CA ALA A 3 8.075 7.128 -4.832 1.00 0.00 C ATOM 38 C ALA A 3 7.260 5.877 -4.494 1.00 0.00 C ATOM 39 O ALA A 3 6.319 5.941 -3.703 1.00 0.00 O ATOM 40 CB ALA A 3 7.925 7.544 -6.296 1.00 0.00 C ATOM 0 H ALA A 3 9.680 5.946 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 3 7.693 7.946 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.874 7.730 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.500 8.452 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.295 6.746 -6.941 1.00 0.00 H new ATOM 46 N LEU A 4 7.649 4.771 -5.110 1.00 0.00 N ATOM 47 CA LEU A 4 6.966 3.509 -4.885 1.00 0.00 C ATOM 48 C LEU A 4 6.573 3.403 -3.409 1.00 0.00 C ATOM 49 O LEU A 4 5.431 3.079 -3.089 1.00 0.00 O ATOM 50 CB LEU A 4 7.822 2.340 -5.378 1.00 0.00 C ATOM 51 CG LEU A 4 7.762 2.054 -6.879 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.620 3.349 -7.680 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.972 1.232 -7.329 1.00 0.00 C ATOM 0 H LEU A 4 8.429 4.723 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 4 6.045 3.466 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.859 2.535 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.516 1.440 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 4 6.873 1.455 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.580 3.116 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.704 3.860 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.475 3.995 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.905 1.042 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.887 1.784 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.987 0.283 -6.793 1.00 0.00 H new ATOM 65 N SER A 5 7.543 3.683 -2.550 1.00 0.00 N ATOM 66 CA SER A 5 7.312 3.623 -1.117 1.00 0.00 C ATOM 67 C SER A 5 6.032 4.382 -0.760 1.00 0.00 C ATOM 68 O SER A 5 5.064 3.787 -0.290 1.00 0.00 O ATOM 69 CB SER A 5 8.502 4.195 -0.344 1.00 0.00 C ATOM 70 OG SER A 5 9.160 5.231 -1.068 1.00 0.00 O ATOM 0 H SER A 5 8.489 3.952 -2.819 1.00 0.00 H new ATOM 0 HA SER A 5 7.197 2.577 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.159 4.584 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.212 3.396 -0.128 1.00 0.00 H new ATOM 0 HG SER A 5 10.000 5.461 -0.619 1.00 0.00 H new ATOM 76 N CYS A 6 6.070 5.685 -0.997 1.00 0.00 N ATOM 77 CA CYS A 6 4.925 6.532 -0.707 1.00 0.00 C ATOM 78 C CYS A 6 3.745 6.050 -1.554 1.00 0.00 C ATOM 79 O CYS A 6 2.770 5.521 -1.022 1.00 0.00 O ATOM 80 CB CYS A 6 5.239 8.009 -0.951 1.00 0.00 C ATOM 81 SG CYS A 6 6.835 8.580 -0.262 1.00 0.00 S ATOM 0 H CYS A 6 6.875 6.175 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 6 4.668 6.453 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.237 8.193 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.438 8.612 -0.522 1.00 0.00 H new ATOM 86 N GLN A 7 3.871 6.253 -2.858 1.00 0.00 N ATOM 87 CA GLN A 7 2.827 5.847 -3.783 1.00 0.00 C ATOM 88 C GLN A 7 2.133 4.581 -3.276 1.00 0.00 C ATOM 89 O GLN A 7 0.939 4.600 -2.978 1.00 0.00 O ATOM 90 CB GLN A 7 3.392 5.637 -5.188 1.00 0.00 C ATOM 91 CG GLN A 7 2.996 6.787 -6.117 1.00 0.00 C ATOM 92 CD GLN A 7 1.476 6.857 -6.283 1.00 0.00 C ATOM 93 OE1 GLN A 7 0.732 6.021 -5.796 1.00 0.00 O ATOM 94 NE2 GLN A 7 1.058 7.898 -6.997 1.00 0.00 N ATOM 0 H GLN A 7 4.680 6.693 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 7 2.087 6.646 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.478 5.562 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.025 4.694 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.365 7.730 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.466 6.651 -7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.734 8.561 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.061 8.034 -7.165 1.00 0.00 H new ATOM 103 N MET A 8 2.909 3.510 -3.195 1.00 0.00 N ATOM 104 CA MET A 8 2.383 2.238 -2.729 1.00 0.00 C ATOM 105 C MET A 8 1.526 2.426 -1.476 1.00 0.00 C ATOM 106 O MET A 8 0.423 1.887 -1.388 1.00 0.00 O ATOM 107 CB MET A 8 3.542 1.289 -2.418 1.00 0.00 C ATOM 108 CG MET A 8 4.249 0.849 -3.702 1.00 0.00 C ATOM 109 SD MET A 8 5.862 0.191 -3.315 1.00 0.00 S ATOM 110 CE MET A 8 6.252 -0.604 -4.865 1.00 0.00 C ATOM 0 H MET A 8 3.898 3.497 -3.444 1.00 0.00 H new ATOM 0 HA MET A 8 1.757 1.815 -3.515 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.254 1.783 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.168 0.414 -1.886 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.653 0.094 -4.215 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.346 1.695 -4.382 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.320 -0.819 -4.905 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.691 -1.535 -4.948 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.984 0.056 -5.690 1.00 0.00 H new ATOM 120 N CYS A 9 2.064 3.190 -0.537 1.00 0.00 N ATOM 121 CA CYS A 9 1.363 3.454 0.707 1.00 0.00 C ATOM 122 C CYS A 9 0.046 4.159 0.376 1.00 0.00 C ATOM 123 O CYS A 9 -0.954 3.970 1.066 1.00 0.00 O ATOM 124 CB CYS A 9 2.219 4.270 1.677 1.00 0.00 C ATOM 125 SG CYS A 9 1.287 5.086 3.025 1.00 0.00 S ATOM 0 H CYS A 9 2.979 3.635 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 9 1.153 2.513 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.969 3.613 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.756 5.032 1.113 1.00 0.00 H new ATOM 130 N GLU A 10 0.089 4.958 -0.680 1.00 0.00 N ATOM 131 CA GLU A 10 -1.088 5.692 -1.112 1.00 0.00 C ATOM 132 C GLU A 10 -2.011 4.784 -1.927 1.00 0.00 C ATOM 133 O GLU A 10 -3.107 5.191 -2.310 1.00 0.00 O ATOM 134 CB GLU A 10 -0.696 6.936 -1.912 1.00 0.00 C ATOM 135 CG GLU A 10 -0.449 8.129 -0.986 1.00 0.00 C ATOM 136 CD GLU A 10 -0.387 9.435 -1.780 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.394 9.736 -2.458 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.665 10.104 -1.691 1.00 0.00 O ATOM 0 H GLU A 10 0.921 5.113 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.629 6.026 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.203 6.730 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.486 7.180 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.244 8.188 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.485 7.985 -0.442 1.00 0.00 H new ATOM 146 N LEU A 11 -1.534 3.572 -2.169 1.00 0.00 N ATOM 147 CA LEU A 11 -2.302 2.603 -2.931 1.00 0.00 C ATOM 148 C LEU A 11 -3.123 1.740 -1.971 1.00 0.00 C ATOM 149 O LEU A 11 -4.276 1.418 -2.251 1.00 0.00 O ATOM 150 CB LEU A 11 -1.384 1.797 -3.853 1.00 0.00 C ATOM 151 CG LEU A 11 -2.031 0.613 -4.575 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.233 1.068 -5.406 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.003 -0.143 -5.418 1.00 0.00 C ATOM 0 H LEU A 11 -0.624 3.239 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.009 3.109 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.971 2.472 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.546 1.424 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.405 -0.083 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.674 0.207 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.975 1.526 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.907 1.795 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.489 -0.979 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.577 0.530 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.209 -0.519 -4.773 1.00 0.00 H new ATOM 165 N VAL A 12 -2.494 1.389 -0.859 1.00 0.00 N ATOM 166 CA VAL A 12 -3.151 0.568 0.145 1.00 0.00 C ATOM 167 C VAL A 12 -4.197 1.408 0.880 1.00 0.00 C ATOM 168 O VAL A 12 -5.345 0.991 1.023 1.00 0.00 O ATOM 169 CB VAL A 12 -2.110 -0.045 1.083 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.013 -0.760 0.292 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.515 1.016 2.010 1.00 0.00 C ATOM 0 H VAL A 12 -1.537 1.658 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.675 -0.264 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.613 -0.787 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.286 -1.187 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.456 -1.556 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.515 -0.047 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.778 0.554 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.034 1.792 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.308 1.460 2.611 1.00 0.00 H new ATOM 181 N VAL A 13 -3.763 2.578 1.326 1.00 0.00 N ATOM 182 CA VAL A 13 -4.647 3.481 2.043 1.00 0.00 C ATOM 183 C VAL A 13 -5.806 3.885 1.129 1.00 0.00 C ATOM 184 O VAL A 13 -6.969 3.655 1.459 1.00 0.00 O ATOM 185 CB VAL A 13 -3.856 4.681 2.569 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.772 4.233 3.553 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.251 5.487 1.418 1.00 0.00 C ATOM 0 H VAL A 13 -2.810 2.921 1.204 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.076 2.984 2.913 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.549 5.330 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.224 5.104 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.235 3.722 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.084 3.553 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.694 6.334 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.579 4.851 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.048 5.851 0.770 1.00 0.00 H new ATOM 197 N LYS A 14 -5.449 4.478 -0.001 1.00 0.00 N ATOM 198 CA LYS A 14 -6.445 4.915 -0.964 1.00 0.00 C ATOM 199 C LYS A 14 -7.487 3.810 -1.150 1.00 0.00 C ATOM 200 O LYS A 14 -8.664 4.093 -1.367 1.00 0.00 O ATOM 201 CB LYS A 14 -5.774 5.354 -2.267 1.00 0.00 C ATOM 202 CG LYS A 14 -6.811 5.838 -3.281 1.00 0.00 C ATOM 203 CD LYS A 14 -6.293 5.680 -4.713 1.00 0.00 C ATOM 204 CE LYS A 14 -6.726 4.338 -5.308 1.00 0.00 C ATOM 205 NZ LYS A 14 -7.820 4.535 -6.285 1.00 0.00 N ATOM 0 H LYS A 14 -4.484 4.666 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.974 5.793 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.061 6.152 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.209 4.522 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.735 5.272 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.051 6.884 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.670 6.495 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.205 5.751 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.877 3.858 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.056 3.670 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.103 3.615 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.635 4.973 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.492 5.155 -7.053 1.00 0.00 H new ATOM 219 N LYS A 15 -7.017 2.575 -1.057 1.00 0.00 N ATOM 220 CA LYS A 15 -7.894 1.427 -1.213 1.00 0.00 C ATOM 221 C LYS A 15 -8.689 1.220 0.077 1.00 0.00 C ATOM 222 O LYS A 15 -9.878 0.905 0.034 1.00 0.00 O ATOM 223 CB LYS A 15 -7.094 0.197 -1.646 1.00 0.00 C ATOM 224 CG LYS A 15 -6.650 0.318 -3.105 1.00 0.00 C ATOM 225 CD LYS A 15 -7.842 0.182 -4.054 1.00 0.00 C ATOM 226 CE LYS A 15 -7.377 0.072 -5.507 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.405 -0.602 -6.332 1.00 0.00 N ATOM 0 H LYS A 15 -6.040 2.344 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.617 1.605 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.220 0.083 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.701 -0.699 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.164 1.281 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.912 -0.452 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.425 -0.700 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.500 1.044 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.176 1.066 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.442 -0.486 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.025 -1.500 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.247 -0.791 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.666 0.011 -7.131 1.00 0.00 H new ATOM 241 N TYR A 16 -8.003 1.406 1.195 1.00 0.00 N ATOM 242 CA TYR A 16 -8.630 1.244 2.495 1.00 0.00 C ATOM 243 C TYR A 16 -9.547 2.427 2.814 1.00 0.00 C ATOM 244 O TYR A 16 -10.766 2.274 2.873 1.00 0.00 O ATOM 245 CB TYR A 16 -7.489 1.209 3.514 1.00 0.00 C ATOM 246 CG TYR A 16 -7.953 1.045 4.962 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.283 0.804 5.238 1.00 0.00 C ATOM 248 CD2 TYR A 16 -7.040 1.136 5.994 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.719 0.649 6.602 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.476 0.981 7.357 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.794 0.745 7.594 1.00 0.00 C ATOM 252 OH TYR A 16 -9.206 0.599 8.882 1.00 0.00 O ATOM 0 H TYR A 16 -7.018 1.668 1.227 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.237 0.339 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.817 0.388 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.912 2.130 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.997 0.732 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.998 1.324 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.757 0.461 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.772 1.051 8.173 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.980 -0.001 8.912 1.00 0.00 H new ATOM 262 N GLU A 17 -8.924 3.581 3.008 1.00 0.00 N ATOM 263 CA GLU A 17 -9.669 4.789 3.319 1.00 0.00 C ATOM 264 C GLU A 17 -10.955 4.847 2.491 1.00 0.00 C ATOM 265 O GLU A 17 -12.006 5.236 2.999 1.00 0.00 O ATOM 266 CB GLU A 17 -8.812 6.035 3.087 1.00 0.00 C ATOM 267 CG GLU A 17 -7.865 6.275 4.265 1.00 0.00 C ATOM 268 CD GLU A 17 -8.641 6.682 5.519 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.053 5.759 6.255 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.804 7.906 5.713 1.00 0.00 O ATOM 0 H GLU A 17 -7.913 3.704 2.956 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.940 4.765 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.235 5.919 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.456 6.904 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.292 5.370 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.149 7.055 4.007 1.00 0.00 H new ATOM 278 N GLY A 18 -10.830 4.455 1.232 1.00 0.00 N ATOM 279 CA GLY A 18 -11.969 4.457 0.332 1.00 0.00 C ATOM 280 C GLY A 18 -12.265 3.047 -0.183 1.00 0.00 C ATOM 281 O GLY A 18 -12.429 2.842 -1.385 1.00 0.00 O ATOM 0 H GLY A 18 -9.957 4.134 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.844 4.850 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.771 5.121 -0.509 1.00 0.00 H new ATOM 285 N SER A 19 -12.323 2.110 0.752 1.00 0.00 N ATOM 286 CA SER A 19 -12.596 0.725 0.409 1.00 0.00 C ATOM 287 C SER A 19 -14.099 0.522 0.206 1.00 0.00 C ATOM 288 O SER A 19 -14.528 0.039 -0.839 1.00 0.00 O ATOM 289 CB SER A 19 -12.073 -0.224 1.490 1.00 0.00 C ATOM 290 OG SER A 19 -12.147 0.355 2.789 1.00 0.00 O ATOM 0 H SER A 19 -12.185 2.283 1.748 1.00 0.00 H new ATOM 0 HA SER A 19 -12.076 0.495 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.651 -1.148 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.039 -0.490 1.270 1.00 0.00 H new ATOM 0 HG SER A 19 -11.344 0.892 2.954 1.00 0.00 H new ATOM 296 N ALA A 20 -14.857 0.902 1.225 1.00 0.00 N ATOM 297 CA ALA A 20 -16.303 0.768 1.172 1.00 0.00 C ATOM 298 C ALA A 20 -16.694 -0.655 1.575 1.00 0.00 C ATOM 299 O ALA A 20 -17.875 -0.955 1.739 1.00 0.00 O ATOM 300 CB ALA A 20 -16.799 1.135 -0.228 1.00 0.00 C ATOM 0 H ALA A 20 -14.497 1.302 2.091 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.778 1.452 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.884 1.034 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.521 2.165 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.346 0.468 -0.961 1.00 0.00 H new ATOM 306 N ASP A 21 -15.679 -1.494 1.722 1.00 0.00 N ATOM 307 CA ASP A 21 -15.902 -2.878 2.103 1.00 0.00 C ATOM 308 C ASP A 21 -15.245 -3.143 3.459 1.00 0.00 C ATOM 309 O ASP A 21 -15.449 -4.198 4.056 1.00 0.00 O ATOM 310 CB ASP A 21 -15.283 -3.836 1.083 1.00 0.00 C ATOM 311 CG ASP A 21 -15.858 -5.254 1.096 1.00 0.00 C ATOM 312 OD1 ASP A 21 -16.997 -5.400 1.588 1.00 0.00 O ATOM 313 OD2 ASP A 21 -15.145 -6.160 0.613 1.00 0.00 O ATOM 0 H ASP A 21 -14.700 -1.242 1.584 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.978 -3.045 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.415 -3.416 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.210 -3.893 1.266 1.00 0.00 H new ATOM 319 N LYS A 22 -14.470 -2.164 3.905 1.00 0.00 N ATOM 320 CA LYS A 22 -13.782 -2.277 5.180 1.00 0.00 C ATOM 321 C LYS A 22 -13.183 -3.679 5.309 1.00 0.00 C ATOM 322 O LYS A 22 -13.655 -4.489 6.106 1.00 0.00 O ATOM 323 CB LYS A 22 -14.718 -1.901 6.330 1.00 0.00 C ATOM 324 CG LYS A 22 -15.487 -0.617 6.012 1.00 0.00 C ATOM 325 CD LYS A 22 -14.538 0.576 5.892 1.00 0.00 C ATOM 326 CE LYS A 22 -14.784 1.589 7.012 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.518 1.917 7.704 1.00 0.00 N ATOM 0 H LYS A 22 -14.304 -1.290 3.406 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.954 -1.570 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.420 -2.714 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.141 -1.767 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.040 -0.741 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.221 -0.425 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.505 0.229 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.675 1.058 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.225 2.496 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.501 1.183 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.704 2.606 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.113 1.052 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.846 2.324 7.023 1.00 0.00 H new ATOM 341 N ASP A 23 -12.153 -3.924 4.512 1.00 0.00 N ATOM 342 CA ASP A 23 -11.485 -5.214 4.527 1.00 0.00 C ATOM 343 C ASP A 23 -10.040 -5.041 4.056 1.00 0.00 C ATOM 344 O ASP A 23 -9.792 -4.789 2.877 1.00 0.00 O ATOM 345 CB ASP A 23 -12.173 -6.202 3.584 1.00 0.00 C ATOM 346 CG ASP A 23 -12.427 -7.590 4.174 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.127 -7.759 5.376 1.00 0.00 O ATOM 348 OD2 ASP A 23 -12.915 -8.452 3.411 1.00 0.00 O ATOM 0 H ASP A 23 -11.765 -3.251 3.852 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.523 -5.601 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.127 -5.777 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.562 -6.311 2.688 1.00 0.00 H new ATOM 354 N ALA A 24 -9.121 -5.182 5.001 1.00 0.00 N ATOM 355 CA ALA A 24 -7.707 -5.044 4.697 1.00 0.00 C ATOM 356 C ALA A 24 -7.302 -6.112 3.681 1.00 0.00 C ATOM 357 O ALA A 24 -6.219 -6.044 3.100 1.00 0.00 O ATOM 358 CB ALA A 24 -6.896 -5.134 5.992 1.00 0.00 C ATOM 0 H ALA A 24 -9.329 -5.390 5.978 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.503 -4.071 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.835 -5.031 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.202 -4.336 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.073 -6.099 6.466 1.00 0.00 H new ATOM 364 N ASN A 25 -8.192 -7.075 3.494 1.00 0.00 N ATOM 365 CA ASN A 25 -7.941 -8.156 2.556 1.00 0.00 C ATOM 366 C ASN A 25 -8.210 -7.664 1.132 1.00 0.00 C ATOM 367 O ASN A 25 -7.470 -7.996 0.208 1.00 0.00 O ATOM 368 CB ASN A 25 -8.865 -9.346 2.827 1.00 0.00 C ATOM 369 CG ASN A 25 -8.134 -10.670 2.598 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.219 -10.773 1.797 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.587 -11.674 3.343 1.00 0.00 N ATOM 0 H ASN A 25 -9.089 -7.129 3.977 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.904 -8.470 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.231 -9.301 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.737 -9.290 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.165 -12.599 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.357 -11.519 3.994 1.00 0.00 H new ATOM 378 N VAL A 26 -9.270 -6.879 1.002 1.00 0.00 N ATOM 379 CA VAL A 26 -9.645 -6.338 -0.293 1.00 0.00 C ATOM 380 C VAL A 26 -8.869 -5.043 -0.544 1.00 0.00 C ATOM 381 O VAL A 26 -8.965 -4.456 -1.620 1.00 0.00 O ATOM 382 CB VAL A 26 -11.161 -6.149 -0.362 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.631 -6.005 -1.811 1.00 0.00 C ATOM 384 CG2 VAL A 26 -11.889 -7.298 0.338 1.00 0.00 C ATOM 0 H VAL A 26 -9.880 -6.605 1.772 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.381 -7.035 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.407 -5.226 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.713 -5.872 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.150 -5.138 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.365 -6.902 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.965 -7.139 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.632 -8.240 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.589 -7.335 1.385 1.00 0.00 H new ATOM 394 N ILE A 27 -8.116 -4.636 0.468 1.00 0.00 N ATOM 395 CA ILE A 27 -7.325 -3.422 0.371 1.00 0.00 C ATOM 396 C ILE A 27 -5.909 -3.777 -0.085 1.00 0.00 C ATOM 397 O ILE A 27 -5.390 -3.184 -1.031 1.00 0.00 O ATOM 398 CB ILE A 27 -7.370 -2.646 1.689 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.789 -2.159 1.991 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.359 -1.498 1.684 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.937 -1.782 3.466 1.00 0.00 C ATOM 0 H ILE A 27 -8.037 -5.126 1.359 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.745 -2.753 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.084 -3.323 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.022 -1.297 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.507 -2.939 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.412 -0.963 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.354 -1.899 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.590 -0.814 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.955 -1.439 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.727 -2.653 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.235 -0.985 3.710 1.00 0.00 H new ATOM 413 N LYS A 28 -5.322 -4.742 0.607 1.00 0.00 N ATOM 414 CA LYS A 28 -3.976 -5.183 0.285 1.00 0.00 C ATOM 415 C LYS A 28 -3.984 -5.877 -1.079 1.00 0.00 C ATOM 416 O LYS A 28 -2.995 -5.834 -1.808 1.00 0.00 O ATOM 417 CB LYS A 28 -3.411 -6.050 1.412 1.00 0.00 C ATOM 418 CG LYS A 28 -3.535 -7.537 1.075 1.00 0.00 C ATOM 419 CD LYS A 28 -3.757 -8.369 2.340 1.00 0.00 C ATOM 420 CE LYS A 28 -2.639 -8.129 3.356 1.00 0.00 C ATOM 421 NZ LYS A 28 -2.633 -9.197 4.382 1.00 0.00 N ATOM 0 H LYS A 28 -5.755 -5.231 1.390 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.305 -4.328 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.364 -5.798 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.942 -5.838 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.365 -7.689 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.632 -7.875 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.719 -8.112 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.798 -9.427 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.676 -8.101 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.775 -7.159 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.868 -9.019 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.546 -9.205 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.481 -10.118 3.924 1.00 0.00 H new ATOM 435 N LYS A 29 -5.113 -6.501 -1.383 1.00 0.00 N ATOM 436 CA LYS A 29 -5.263 -7.203 -2.646 1.00 0.00 C ATOM 437 C LYS A 29 -5.454 -6.184 -3.772 1.00 0.00 C ATOM 438 O LYS A 29 -4.780 -6.254 -4.799 1.00 0.00 O ATOM 439 CB LYS A 29 -6.387 -8.236 -2.554 1.00 0.00 C ATOM 440 CG LYS A 29 -5.879 -9.549 -1.956 1.00 0.00 C ATOM 441 CD LYS A 29 -7.041 -10.407 -1.450 1.00 0.00 C ATOM 442 CE LYS A 29 -8.197 -10.409 -2.451 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.807 -11.114 -3.693 1.00 0.00 N ATOM 0 H LYS A 29 -5.932 -6.535 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.360 -7.768 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.198 -7.843 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.799 -8.420 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.315 -10.101 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.194 -9.338 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.698 -11.428 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.388 -10.026 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.068 -10.894 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.486 -9.384 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.619 -11.150 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.023 -10.606 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.505 -12.082 -3.462 1.00 0.00 H new ATOM 457 N ASP A 30 -6.375 -5.261 -3.540 1.00 0.00 N ATOM 458 CA ASP A 30 -6.664 -4.228 -4.522 1.00 0.00 C ATOM 459 C ASP A 30 -5.361 -3.531 -4.919 1.00 0.00 C ATOM 460 O ASP A 30 -5.065 -3.389 -6.105 1.00 0.00 O ATOM 461 CB ASP A 30 -7.610 -3.172 -3.948 1.00 0.00 C ATOM 462 CG ASP A 30 -9.049 -3.248 -4.461 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.225 -3.756 -5.589 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.942 -2.794 -3.712 1.00 0.00 O ATOM 0 H ASP A 30 -6.931 -5.206 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.134 -4.702 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.621 -3.267 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.210 -2.184 -4.177 1.00 0.00 H new ATOM 470 N PHE A 31 -4.617 -3.115 -3.905 1.00 0.00 N ATOM 471 CA PHE A 31 -3.353 -2.436 -4.134 1.00 0.00 C ATOM 472 C PHE A 31 -2.451 -3.254 -5.060 1.00 0.00 C ATOM 473 O PHE A 31 -1.749 -2.695 -5.902 1.00 0.00 O ATOM 474 CB PHE A 31 -2.670 -2.291 -2.773 1.00 0.00 C ATOM 475 CG PHE A 31 -1.152 -2.122 -2.853 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.371 -3.164 -3.248 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.582 -0.931 -2.530 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.037 -3.007 -3.323 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.827 -0.773 -2.604 1.00 0.00 C ATOM 480 CZ PHE A 31 1.608 -1.815 -2.999 1.00 0.00 C ATOM 0 H PHE A 31 -4.865 -3.235 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.530 -1.469 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.094 -1.431 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.896 -3.170 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.823 -4.111 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.202 -0.104 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.656 -3.834 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.279 0.174 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.680 -1.696 -3.055 1.00 0.00 H new ATOM 490 N ASP A 32 -2.498 -4.565 -4.872 1.00 0.00 N ATOM 491 CA ASP A 32 -1.693 -5.466 -5.679 1.00 0.00 C ATOM 492 C ASP A 32 -2.182 -5.420 -7.129 1.00 0.00 C ATOM 493 O ASP A 32 -1.401 -5.615 -8.058 1.00 0.00 O ATOM 494 CB ASP A 32 -1.816 -6.908 -5.184 1.00 0.00 C ATOM 495 CG ASP A 32 -0.830 -7.895 -5.814 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.351 -7.852 -5.409 1.00 0.00 O ATOM 497 OD2 ASP A 32 -1.281 -8.669 -6.686 1.00 0.00 O ATOM 0 H ASP A 32 -3.081 -5.025 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.653 -5.147 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.676 -6.918 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.830 -7.257 -5.378 1.00 0.00 H new ATOM 503 N ALA A 33 -3.474 -5.160 -7.275 1.00 0.00 N ATOM 504 CA ALA A 33 -4.077 -5.087 -8.595 1.00 0.00 C ATOM 505 C ALA A 33 -3.531 -3.861 -9.332 1.00 0.00 C ATOM 506 O ALA A 33 -2.732 -3.993 -10.257 1.00 0.00 O ATOM 507 CB ALA A 33 -5.601 -5.056 -8.460 1.00 0.00 C ATOM 0 H ALA A 33 -4.119 -4.998 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.821 -5.968 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.053 -5.001 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.940 -5.961 -7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.897 -4.184 -7.877 1.00 0.00 H new ATOM 513 N GLU A 34 -3.987 -2.696 -8.895 1.00 0.00 N ATOM 514 CA GLU A 34 -3.556 -1.448 -9.501 1.00 0.00 C ATOM 515 C GLU A 34 -2.032 -1.423 -9.636 1.00 0.00 C ATOM 516 O GLU A 34 -1.502 -0.966 -10.648 1.00 0.00 O ATOM 517 CB GLU A 34 -4.055 -0.247 -8.697 1.00 0.00 C ATOM 518 CG GLU A 34 -3.759 1.064 -9.429 1.00 0.00 C ATOM 519 CD GLU A 34 -3.884 0.887 -10.943 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.039 0.837 -11.416 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.820 0.804 -11.594 1.00 0.00 O ATOM 0 H GLU A 34 -4.651 -2.590 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.991 -1.381 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.128 -0.339 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.577 -0.237 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.449 1.837 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.754 1.404 -9.181 1.00 0.00 H new ATOM 529 N CYS A 35 -1.370 -1.918 -8.600 1.00 0.00 N ATOM 530 CA CYS A 35 0.082 -1.959 -8.590 1.00 0.00 C ATOM 531 C CYS A 35 0.549 -2.797 -9.782 1.00 0.00 C ATOM 532 O CYS A 35 1.330 -2.328 -10.608 1.00 0.00 O ATOM 533 CB CYS A 35 0.625 -2.499 -7.266 1.00 0.00 C ATOM 534 SG CYS A 35 2.449 -2.583 -7.160 1.00 0.00 S ATOM 0 H CYS A 35 -1.813 -2.294 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 35 0.476 -0.947 -8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.257 -1.870 -6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.220 -3.498 -7.104 1.00 0.00 H new ATOM 539 N LYS A 36 0.049 -4.023 -9.835 1.00 0.00 N ATOM 540 CA LYS A 36 0.404 -4.931 -10.912 1.00 0.00 C ATOM 541 C LYS A 36 0.004 -4.308 -12.251 1.00 0.00 C ATOM 542 O LYS A 36 0.296 -4.863 -13.309 1.00 0.00 O ATOM 543 CB LYS A 36 -0.205 -6.313 -10.670 1.00 0.00 C ATOM 544 CG LYS A 36 0.704 -7.165 -9.781 1.00 0.00 C ATOM 545 CD LYS A 36 0.230 -8.619 -9.745 1.00 0.00 C ATOM 546 CE LYS A 36 1.092 -9.453 -8.796 1.00 0.00 C ATOM 547 NZ LYS A 36 0.256 -10.422 -8.051 1.00 0.00 N ATOM 0 H LYS A 36 -0.600 -4.409 -9.149 1.00 0.00 H new ATOM 0 HA LYS A 36 1.483 -5.085 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.183 -6.206 -10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.363 -6.817 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.727 -7.122 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.715 -6.757 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.811 -8.658 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.272 -9.044 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.857 -9.984 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.611 -8.798 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.811 -10.834 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.576 -9.935 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.055 -11.178 -8.694 1.00 0.00 H new ATOM 561 N LYS A 37 -0.660 -3.164 -12.160 1.00 0.00 N ATOM 562 CA LYS A 37 -1.104 -2.461 -13.351 1.00 0.00 C ATOM 563 C LYS A 37 -0.141 -1.309 -13.647 1.00 0.00 C ATOM 564 O LYS A 37 0.675 -1.396 -14.563 1.00 0.00 O ATOM 565 CB LYS A 37 -2.562 -2.020 -13.202 1.00 0.00 C ATOM 566 CG LYS A 37 -3.444 -3.189 -12.758 1.00 0.00 C ATOM 567 CD LYS A 37 -4.413 -3.598 -13.868 1.00 0.00 C ATOM 568 CE LYS A 37 -4.143 -5.031 -14.331 1.00 0.00 C ATOM 569 NZ LYS A 37 -5.300 -5.902 -14.021 1.00 0.00 N ATOM 0 H LYS A 37 -0.901 -2.707 -11.280 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.083 -3.126 -14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.629 -1.212 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.925 -1.625 -14.151 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.818 -4.039 -12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.005 -2.908 -11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.439 -3.515 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.315 -2.915 -14.712 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.948 -5.043 -15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.249 -5.416 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.101 -6.871 -14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.468 -5.904 -12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.145 -5.543 -14.509 1.00 0.00 H new ATOM 583 N LEU A 38 -0.267 -0.256 -12.853 1.00 0.00 N ATOM 584 CA LEU A 38 0.581 0.912 -13.017 1.00 0.00 C ATOM 585 C LEU A 38 2.041 0.509 -12.804 1.00 0.00 C ATOM 586 O LEU A 38 2.907 0.848 -13.610 1.00 0.00 O ATOM 587 CB LEU A 38 0.115 2.046 -12.102 1.00 0.00 C ATOM 588 CG LEU A 38 0.859 2.183 -10.772 1.00 0.00 C ATOM 589 CD1 LEU A 38 0.977 3.651 -10.359 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.198 1.333 -9.685 1.00 0.00 C ATOM 0 H LEU A 38 -0.944 -0.187 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 38 0.502 1.301 -14.032 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.207 2.986 -12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.945 1.903 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 38 1.872 1.804 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.510 3.720 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.525 4.201 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.019 4.079 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.746 1.448 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.832 1.659 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.209 0.285 -9.985 1.00 0.00 H new ATOM 602 N PHE A 39 2.272 -0.207 -11.713 1.00 0.00 N ATOM 603 CA PHE A 39 3.612 -0.660 -11.383 1.00 0.00 C ATOM 604 C PHE A 39 3.934 -1.980 -12.086 1.00 0.00 C ATOM 605 O PHE A 39 4.644 -2.822 -11.538 1.00 0.00 O ATOM 606 CB PHE A 39 3.650 -0.878 -9.870 1.00 0.00 C ATOM 607 CG PHE A 39 3.739 0.414 -9.056 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.685 1.344 -9.357 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.871 0.634 -8.032 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.767 2.544 -8.602 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.954 1.834 -7.276 1.00 0.00 C ATOM 612 CZ PHE A 39 3.899 2.763 -7.577 1.00 0.00 C ATOM 0 H PHE A 39 1.552 -0.485 -11.046 1.00 0.00 H new ATOM 0 HA PHE A 39 4.345 0.080 -11.706 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.755 -1.423 -9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.505 -1.509 -9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.374 1.170 -10.170 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.119 -0.103 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.518 3.282 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.266 2.008 -6.462 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.961 3.675 -7.003 1.00 0.00 H new ATOM 622 N HIS A 40 3.396 -2.119 -13.289 1.00 0.00 N ATOM 623 CA HIS A 40 3.618 -3.323 -14.072 1.00 0.00 C ATOM 624 C HIS A 40 4.874 -3.154 -14.930 1.00 0.00 C ATOM 625 O HIS A 40 5.631 -4.104 -15.121 1.00 0.00 O ATOM 626 CB HIS A 40 2.378 -3.669 -14.900 1.00 0.00 C ATOM 627 CG HIS A 40 2.304 -5.116 -15.322 1.00 0.00 C ATOM 628 ND1 HIS A 40 2.111 -6.151 -14.422 1.00 0.00 N ATOM 629 CD2 HIS A 40 2.400 -5.692 -16.554 1.00 0.00 C ATOM 630 CE1 HIS A 40 2.094 -7.292 -15.094 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.274 -7.005 -16.415 1.00 0.00 N ATOM 0 H HIS A 40 2.808 -1.419 -13.740 1.00 0.00 H new ATOM 0 HA HIS A 40 3.787 -4.168 -13.405 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.488 -3.424 -14.321 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.362 -3.041 -15.790 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.001 -6.051 -13.413 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.553 -5.168 -17.486 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.961 -8.277 -14.670 1.00 0.00 H new ATOM 640 N THR A 41 5.057 -1.937 -15.421 1.00 0.00 N ATOM 641 CA THR A 41 6.208 -1.631 -16.253 1.00 0.00 C ATOM 642 C THR A 41 7.502 -1.794 -15.453 1.00 0.00 C ATOM 643 O THR A 41 8.565 -2.029 -16.025 1.00 0.00 O ATOM 644 CB THR A 41 6.019 -0.224 -16.823 1.00 0.00 C ATOM 645 OG1 THR A 41 5.886 0.603 -15.670 1.00 0.00 O ATOM 646 CG2 THR A 41 4.684 -0.063 -17.553 1.00 0.00 C ATOM 0 H THR A 41 4.427 -1.151 -15.258 1.00 0.00 H new ATOM 0 HA THR A 41 6.289 -2.327 -17.088 1.00 0.00 H new ATOM 0 HB THR A 41 6.837 0.003 -17.507 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.761 1.534 -15.948 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.600 0.953 -17.938 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.635 -0.770 -18.381 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.865 -0.257 -16.861 1.00 0.00 H new ATOM 654 N ILE A 42 7.369 -1.662 -14.141 1.00 0.00 N ATOM 655 CA ILE A 42 8.515 -1.791 -13.257 1.00 0.00 C ATOM 656 C ILE A 42 9.083 -3.207 -13.368 1.00 0.00 C ATOM 657 O ILE A 42 8.331 -4.176 -13.457 1.00 0.00 O ATOM 658 CB ILE A 42 8.138 -1.390 -11.830 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.155 -0.219 -11.831 1.00 0.00 C ATOM 660 CG2 ILE A 42 9.386 -1.090 -10.997 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.642 0.908 -10.917 1.00 0.00 C ATOM 0 H ILE A 42 6.486 -1.467 -13.669 1.00 0.00 H new ATOM 0 HA ILE A 42 9.307 -1.105 -13.558 1.00 0.00 H new ATOM 0 HB ILE A 42 7.633 -2.234 -11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.035 0.158 -12.847 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.175 -0.562 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.090 -0.807 -9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.018 -1.977 -10.955 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.941 -0.271 -11.455 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.924 1.728 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.738 0.534 -9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.611 1.266 -11.265 1.00 0.00 H new ATOM 673 N PRO A 43 10.441 -3.284 -13.360 1.00 0.00 N ATOM 674 CA PRO A 43 11.117 -4.567 -13.459 1.00 0.00 C ATOM 675 C PRO A 43 11.031 -5.336 -12.139 1.00 0.00 C ATOM 676 O PRO A 43 11.556 -6.442 -12.025 1.00 0.00 O ATOM 677 CB PRO A 43 12.545 -4.228 -13.856 1.00 0.00 C ATOM 678 CG PRO A 43 12.736 -2.759 -13.513 1.00 0.00 C ATOM 679 CD PRO A 43 11.364 -2.159 -13.257 1.00 0.00 C ATOM 0 HA PRO A 43 10.658 -5.229 -14.194 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.259 -4.851 -13.317 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.707 -4.405 -14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.370 -2.652 -12.633 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.234 -2.238 -14.330 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.313 -1.694 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.128 -1.385 -13.988 1.00 0.00 H new ATOM 687 N PHE A 44 10.364 -4.719 -11.174 1.00 0.00 N ATOM 688 CA PHE A 44 10.202 -5.332 -9.867 1.00 0.00 C ATOM 689 C PHE A 44 8.964 -4.784 -9.154 1.00 0.00 C ATOM 690 O PHE A 44 8.845 -4.895 -7.936 1.00 0.00 O ATOM 691 CB PHE A 44 11.446 -4.976 -9.049 1.00 0.00 C ATOM 692 CG PHE A 44 12.745 -4.984 -9.856 1.00 0.00 C ATOM 693 CD1 PHE A 44 13.318 -6.165 -10.210 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.327 -3.810 -10.220 1.00 0.00 C ATOM 695 CE1 PHE A 44 14.524 -6.174 -10.960 1.00 0.00 C ATOM 696 CE2 PHE A 44 14.534 -3.818 -10.969 1.00 0.00 C ATOM 697 CZ PHE A 44 15.107 -4.999 -11.323 1.00 0.00 C ATOM 0 H PHE A 44 9.930 -3.801 -11.272 1.00 0.00 H new ATOM 0 HA PHE A 44 10.080 -6.410 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.309 -3.988 -8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.539 -5.681 -8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.856 -7.097 -9.921 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.872 -2.872 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.978 -7.112 -11.242 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.997 -2.886 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.025 -5.005 -11.892 1.00 0.00 H new ATOM 707 N GLY A 45 8.073 -4.206 -9.946 1.00 0.00 N ATOM 708 CA GLY A 45 6.848 -3.642 -9.406 1.00 0.00 C ATOM 709 C GLY A 45 5.934 -4.739 -8.856 1.00 0.00 C ATOM 710 O GLY A 45 5.585 -4.728 -7.676 1.00 0.00 O ATOM 0 H GLY A 45 8.175 -4.116 -10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.088 -2.933 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.326 -3.085 -10.184 1.00 0.00 H new ATOM 714 N THR A 46 5.572 -5.660 -9.736 1.00 0.00 N ATOM 715 CA THR A 46 4.706 -6.762 -9.354 1.00 0.00 C ATOM 716 C THR A 46 5.299 -7.517 -8.162 1.00 0.00 C ATOM 717 O THR A 46 4.564 -8.013 -7.309 1.00 0.00 O ATOM 718 CB THR A 46 4.491 -7.644 -10.585 1.00 0.00 C ATOM 719 OG1 THR A 46 5.803 -8.072 -10.939 1.00 0.00 O ATOM 720 CG2 THR A 46 4.018 -6.846 -11.802 1.00 0.00 C ATOM 0 H THR A 46 5.863 -5.666 -10.714 1.00 0.00 H new ATOM 0 HA THR A 46 3.733 -6.403 -9.020 1.00 0.00 H new ATOM 0 HB THR A 46 3.760 -8.419 -10.353 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.756 -8.651 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.881 -7.520 -12.648 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.072 -6.356 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.764 -6.093 -12.055 1.00 0.00 H new ATOM 728 N ARG A 47 6.621 -7.579 -8.140 1.00 0.00 N ATOM 729 CA ARG A 47 7.321 -8.264 -7.067 1.00 0.00 C ATOM 730 C ARG A 47 7.098 -7.538 -5.739 1.00 0.00 C ATOM 731 O ARG A 47 6.750 -8.162 -4.737 1.00 0.00 O ATOM 732 CB ARG A 47 8.822 -8.345 -7.351 1.00 0.00 C ATOM 733 CG ARG A 47 9.105 -9.244 -8.556 1.00 0.00 C ATOM 734 CD ARG A 47 8.511 -10.639 -8.351 1.00 0.00 C ATOM 735 NE ARG A 47 9.530 -11.671 -8.645 1.00 0.00 N ATOM 736 CZ ARG A 47 9.247 -12.957 -8.888 1.00 0.00 C ATOM 737 NH1 ARG A 47 7.975 -13.378 -8.875 1.00 0.00 N ATOM 738 NH2 ARG A 47 10.236 -13.824 -9.145 1.00 0.00 N ATOM 0 H ARG A 47 7.227 -7.166 -8.849 1.00 0.00 H new ATOM 0 HA ARG A 47 6.920 -9.276 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.215 -7.346 -7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.341 -8.732 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.685 -8.795 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.181 -9.322 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.159 -10.746 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.646 -10.774 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 47 10.509 -11.385 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.222 -12.719 -8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.760 -14.358 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.205 -13.504 -9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.020 -14.804 -9.330 1.00 0.00 H new ATOM 752 N GLU A 48 7.307 -6.230 -5.774 1.00 0.00 N ATOM 753 CA GLU A 48 7.133 -5.412 -4.586 1.00 0.00 C ATOM 754 C GLU A 48 5.649 -5.299 -4.232 1.00 0.00 C ATOM 755 O GLU A 48 5.298 -5.072 -3.075 1.00 0.00 O ATOM 756 CB GLU A 48 7.759 -4.030 -4.775 1.00 0.00 C ATOM 757 CG GLU A 48 8.858 -3.779 -3.742 1.00 0.00 C ATOM 758 CD GLU A 48 9.841 -4.950 -3.691 1.00 0.00 C ATOM 759 OE1 GLU A 48 10.434 -5.240 -4.753 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.977 -5.530 -2.592 1.00 0.00 O ATOM 0 H GLU A 48 7.595 -5.716 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 48 7.648 -5.897 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.174 -3.950 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.989 -3.263 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.392 -2.862 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.411 -3.632 -2.759 1.00 0.00 H new ATOM 768 N CYS A 49 4.816 -5.462 -5.250 1.00 0.00 N ATOM 769 CA CYS A 49 3.378 -5.381 -5.060 1.00 0.00 C ATOM 770 C CYS A 49 2.985 -6.349 -3.943 1.00 0.00 C ATOM 771 O CYS A 49 2.369 -5.947 -2.958 1.00 0.00 O ATOM 772 CB CYS A 49 2.620 -5.669 -6.358 1.00 0.00 C ATOM 773 SG CYS A 49 2.843 -4.414 -7.672 1.00 0.00 S ATOM 0 H CYS A 49 5.110 -5.650 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 49 3.103 -4.366 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.940 -6.638 -6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.557 -5.752 -6.131 1.00 0.00 H new ATOM 778 N ASP A 50 3.358 -7.607 -4.134 1.00 0.00 N ATOM 779 CA ASP A 50 3.051 -8.635 -3.156 1.00 0.00 C ATOM 780 C ASP A 50 3.983 -8.480 -1.951 1.00 0.00 C ATOM 781 O ASP A 50 3.721 -9.032 -0.884 1.00 0.00 O ATOM 782 CB ASP A 50 3.263 -10.033 -3.740 1.00 0.00 C ATOM 783 CG ASP A 50 2.293 -11.100 -3.230 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.106 -10.751 -3.057 1.00 0.00 O ATOM 785 OD2 ASP A 50 2.762 -12.241 -3.026 1.00 0.00 O ATOM 0 H ASP A 50 3.870 -7.936 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 50 2.007 -8.521 -2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.177 -9.974 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.281 -10.353 -3.518 1.00 0.00 H new ATOM 791 N HIS A 51 5.051 -7.724 -2.163 1.00 0.00 N ATOM 792 CA HIS A 51 6.023 -7.490 -1.109 1.00 0.00 C ATOM 793 C HIS A 51 5.584 -6.291 -0.265 1.00 0.00 C ATOM 794 O HIS A 51 6.286 -5.890 0.662 1.00 0.00 O ATOM 795 CB HIS A 51 7.427 -7.323 -1.691 1.00 0.00 C ATOM 796 CG HIS A 51 8.502 -8.049 -0.918 1.00 0.00 C ATOM 797 ND1 HIS A 51 9.849 -7.761 -1.057 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.417 -9.051 0.003 1.00 0.00 C ATOM 799 CE1 HIS A 51 10.534 -8.561 -0.252 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.643 -9.360 0.402 1.00 0.00 N ATOM 0 H HIS A 51 5.264 -7.266 -3.049 1.00 0.00 H new ATOM 0 HA HIS A 51 6.068 -8.358 -0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.428 -7.683 -2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.672 -6.261 -1.724 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.247 -7.053 -1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.505 -9.515 0.349 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.608 -8.577 -0.135 1.00 0.00 H new ATOM 809 N TYR A 52 4.426 -5.752 -0.616 1.00 0.00 N ATOM 810 CA TYR A 52 3.886 -4.608 0.097 1.00 0.00 C ATOM 811 C TYR A 52 2.584 -4.972 0.812 1.00 0.00 C ATOM 812 O TYR A 52 2.370 -4.579 1.958 1.00 0.00 O ATOM 813 CB TYR A 52 3.590 -3.549 -0.968 1.00 0.00 C ATOM 814 CG TYR A 52 3.522 -2.121 -0.423 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.676 -1.485 -0.007 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.309 -1.468 -0.346 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.612 -0.141 0.505 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.245 -0.124 0.168 1.00 0.00 C ATOM 819 CZ TYR A 52 3.400 0.473 0.568 1.00 0.00 C ATOM 820 OH TYR A 52 3.339 1.743 1.052 1.00 0.00 O ATOM 0 H TYR A 52 3.846 -6.087 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 52 4.591 -4.258 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.360 -3.597 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.642 -3.788 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.626 -1.996 -0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.407 -1.965 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.506 0.368 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.302 0.398 0.234 1.00 0.00 H new ATOM 0 HH TYR A 52 3.989 2.304 0.581 1.00 0.00 H new ATOM 830 N VAL A 53 1.746 -5.718 0.106 1.00 0.00 N ATOM 831 CA VAL A 53 0.471 -6.139 0.660 1.00 0.00 C ATOM 832 C VAL A 53 0.686 -7.362 1.553 1.00 0.00 C ATOM 833 O VAL A 53 -0.025 -8.358 1.430 1.00 0.00 O ATOM 834 CB VAL A 53 -0.531 -6.393 -0.469 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.413 -5.323 -1.557 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.352 -7.794 -1.056 1.00 0.00 C ATOM 0 H VAL A 53 1.926 -6.041 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 53 0.047 -5.352 1.283 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.534 -6.333 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.136 -5.526 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.613 -4.342 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.594 -5.337 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.076 -7.949 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.657 -7.895 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.509 -8.538 -0.275 1.00 0.00 H new ATOM 846 N ASN A 54 1.671 -7.246 2.432 1.00 0.00 N ATOM 847 CA ASN A 54 1.989 -8.330 3.346 1.00 0.00 C ATOM 848 C ASN A 54 3.235 -7.961 4.154 1.00 0.00 C ATOM 849 O ASN A 54 4.158 -8.763 4.281 1.00 0.00 O ATOM 850 CB ASN A 54 2.286 -9.624 2.585 1.00 0.00 C ATOM 851 CG ASN A 54 2.391 -10.812 3.543 1.00 0.00 C ATOM 852 OD1 ASN A 54 1.752 -10.864 4.582 1.00 0.00 O ATOM 853 ND2 ASN A 54 3.230 -11.762 3.138 1.00 0.00 N ATOM 0 H ASN A 54 2.259 -6.418 2.531 1.00 0.00 H new ATOM 0 HA ASN A 54 1.129 -8.484 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.498 -9.810 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.217 -9.517 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.369 -12.596 3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.734 -11.656 2.257 1.00 0.00 H new ATOM 860 N SER A 55 3.221 -6.745 4.681 1.00 0.00 N ATOM 861 CA SER A 55 4.337 -6.259 5.473 1.00 0.00 C ATOM 862 C SER A 55 4.325 -4.730 5.514 1.00 0.00 C ATOM 863 O SER A 55 4.875 -4.125 6.433 1.00 0.00 O ATOM 864 CB SER A 55 5.669 -6.764 4.915 1.00 0.00 C ATOM 865 OG SER A 55 6.071 -7.991 5.518 1.00 0.00 O ATOM 0 H SER A 55 2.453 -6.082 4.574 1.00 0.00 H new ATOM 0 HA SER A 55 4.229 -6.643 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.581 -6.902 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.439 -6.010 5.079 1.00 0.00 H new ATOM 0 HG SER A 55 5.461 -8.707 5.242 1.00 0.00 H new ATOM 871 N LYS A 56 3.692 -4.149 4.505 1.00 0.00 N ATOM 872 CA LYS A 56 3.601 -2.701 4.414 1.00 0.00 C ATOM 873 C LYS A 56 2.128 -2.285 4.439 1.00 0.00 C ATOM 874 O LYS A 56 1.817 -1.098 4.518 1.00 0.00 O ATOM 875 CB LYS A 56 4.362 -2.192 3.188 1.00 0.00 C ATOM 876 CG LYS A 56 5.734 -2.861 3.078 1.00 0.00 C ATOM 877 CD LYS A 56 6.859 -1.845 3.279 1.00 0.00 C ATOM 878 CE LYS A 56 8.115 -2.518 3.836 1.00 0.00 C ATOM 879 NZ LYS A 56 9.140 -2.655 2.778 1.00 0.00 N ATOM 0 H LYS A 56 3.238 -4.654 3.744 1.00 0.00 H new ATOM 0 HA LYS A 56 4.080 -2.234 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.782 -2.392 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.485 -1.111 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.817 -3.652 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.835 -3.332 2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.092 -1.363 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.529 -1.062 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.513 -1.930 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.862 -3.500 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.986 -3.114 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.762 -3.234 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.393 -1.714 2.416 1.00 0.00 H new ATOM 893 N VAL A 57 1.262 -3.285 4.371 1.00 0.00 N ATOM 894 CA VAL A 57 -0.170 -3.038 4.386 1.00 0.00 C ATOM 895 C VAL A 57 -0.703 -3.240 5.805 1.00 0.00 C ATOM 896 O VAL A 57 -1.435 -2.398 6.323 1.00 0.00 O ATOM 897 CB VAL A 57 -0.864 -3.927 3.353 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.281 -4.288 3.804 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.880 -3.259 1.976 1.00 0.00 C ATOM 0 H VAL A 57 1.524 -4.269 4.305 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.384 -2.007 4.103 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.293 -4.852 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.752 -4.921 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.236 -4.824 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.866 -3.377 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.379 -3.912 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.416 -2.312 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.143 -3.077 1.648 1.00 0.00 H new ATOM 909 N ASP A 58 -0.318 -4.363 6.393 1.00 0.00 N ATOM 910 CA ASP A 58 -0.748 -4.687 7.743 1.00 0.00 C ATOM 911 C ASP A 58 -0.455 -3.502 8.665 1.00 0.00 C ATOM 912 O ASP A 58 -1.293 -3.126 9.484 1.00 0.00 O ATOM 913 CB ASP A 58 0.004 -5.905 8.284 1.00 0.00 C ATOM 914 CG ASP A 58 -0.840 -7.172 8.431 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.901 -7.932 7.440 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.405 -7.353 9.532 1.00 0.00 O ATOM 0 H ASP A 58 0.287 -5.060 5.959 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.815 -4.907 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.842 -6.120 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.424 -5.651 9.257 1.00 0.00 H new ATOM 922 N PRO A 59 0.768 -2.932 8.498 1.00 0.00 N ATOM 923 CA PRO A 59 1.183 -1.797 9.305 1.00 0.00 C ATOM 924 C PRO A 59 0.483 -0.515 8.849 1.00 0.00 C ATOM 925 O PRO A 59 -0.183 0.150 9.642 1.00 0.00 O ATOM 926 CB PRO A 59 2.693 -1.736 9.152 1.00 0.00 C ATOM 927 CG PRO A 59 3.019 -2.542 7.906 1.00 0.00 C ATOM 928 CD PRO A 59 1.785 -3.350 7.537 1.00 0.00 C ATOM 0 HA PRO A 59 0.907 -1.904 10.354 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.034 -0.706 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.191 -2.152 10.028 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.301 -1.881 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.867 -3.202 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.470 -3.147 6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.978 -4.421 7.605 1.00 0.00 H new ATOM 936 N ILE A 60 0.658 -0.205 7.573 1.00 0.00 N ATOM 937 CA ILE A 60 0.052 0.986 7.002 1.00 0.00 C ATOM 938 C ILE A 60 -1.392 1.103 7.493 1.00 0.00 C ATOM 939 O ILE A 60 -1.775 2.118 8.072 1.00 0.00 O ATOM 940 CB ILE A 60 0.185 0.976 5.478 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.579 1.434 5.046 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.920 1.810 4.825 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.692 1.486 3.521 1.00 0.00 C ATOM 0 H ILE A 60 1.211 -0.758 6.918 1.00 0.00 H new ATOM 0 HA ILE A 60 0.577 1.880 7.339 1.00 0.00 H new ATOM 0 HB ILE A 60 0.061 -0.050 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.787 2.419 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.330 0.753 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.802 1.786 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.893 1.399 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.853 2.840 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.693 1.815 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.507 0.494 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.956 2.186 3.125 1.00 0.00 H new ATOM 955 N ILE A 61 -2.156 0.049 7.242 1.00 0.00 N ATOM 956 CA ILE A 61 -3.551 0.023 7.651 1.00 0.00 C ATOM 957 C ILE A 61 -3.637 0.204 9.167 1.00 0.00 C ATOM 958 O ILE A 61 -4.653 0.664 9.685 1.00 0.00 O ATOM 959 CB ILE A 61 -4.231 -1.251 7.145 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.099 -1.378 5.626 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.691 -1.309 7.600 1.00 0.00 C ATOM 962 CD1 ILE A 61 -5.273 -2.164 5.037 1.00 0.00 C ATOM 0 H ILE A 61 -1.836 -0.792 6.761 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.097 0.851 7.200 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.721 -2.108 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.059 -0.386 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.162 -1.877 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.152 -2.224 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.733 -1.299 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.229 -0.446 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.155 -2.240 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.295 -3.164 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.206 -1.649 5.265 1.00 0.00 H new ATOM 974 N HIS A 62 -2.555 -0.165 9.838 1.00 0.00 N ATOM 975 CA HIS A 62 -2.495 -0.047 11.285 1.00 0.00 C ATOM 976 C HIS A 62 -2.604 1.425 11.685 1.00 0.00 C ATOM 977 O HIS A 62 -3.093 1.744 12.768 1.00 0.00 O ATOM 978 CB HIS A 62 -1.234 -0.719 11.833 1.00 0.00 C ATOM 979 CG HIS A 62 -0.082 0.229 12.062 1.00 0.00 C ATOM 980 ND1 HIS A 62 1.241 -0.155 11.936 1.00 0.00 N ATOM 981 CD2 HIS A 62 -0.070 1.548 12.409 1.00 0.00 C ATOM 982 CE1 HIS A 62 2.007 0.894 12.198 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.193 1.948 12.491 1.00 0.00 N ATOM 0 H HIS A 62 -1.713 -0.546 9.406 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.339 -0.572 11.732 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.478 -1.212 12.774 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.918 -1.497 11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.940 2.162 12.587 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.087 0.911 12.182 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.504 2.889 12.733 1.00 0.00 H new ATOM 992 N GLU A 63 -2.139 2.285 10.789 1.00 0.00 N ATOM 993 CA GLU A 63 -2.177 3.716 11.036 1.00 0.00 C ATOM 994 C GLU A 63 -3.592 4.255 10.816 1.00 0.00 C ATOM 995 O GLU A 63 -4.136 4.950 11.673 1.00 0.00 O ATOM 996 CB GLU A 63 -1.166 4.451 10.154 1.00 0.00 C ATOM 997 CG GLU A 63 0.093 4.811 10.946 1.00 0.00 C ATOM 998 CD GLU A 63 -0.198 5.911 11.968 1.00 0.00 C ATOM 999 OE1 GLU A 63 -1.091 5.679 12.812 1.00 0.00 O ATOM 1000 OE2 GLU A 63 0.478 6.959 11.883 1.00 0.00 O ATOM 0 H GLU A 63 -1.734 2.018 9.892 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.900 3.894 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.898 3.825 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.619 5.358 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.471 3.926 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.875 5.142 10.262 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.147 3.914 9.662 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.488 4.354 9.319 1.00 0.00 C ATOM 1010 C LEU A 64 -6.473 3.850 10.375 1.00 0.00 C ATOM 1011 O LEU A 64 -7.418 4.552 10.733 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.844 3.926 7.893 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.802 4.242 6.818 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -5.145 3.545 5.500 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.637 5.753 6.641 1.00 0.00 C ATOM 0 H LEU A 64 -3.692 3.338 8.953 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.544 5.443 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.024 2.851 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.782 4.406 7.614 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.840 3.850 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.389 3.786 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.171 2.466 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.120 3.885 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.891 5.950 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.590 6.191 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.313 6.196 7.582 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.219 2.638 10.845 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.071 2.033 11.854 1.00 0.00 C ATOM 1029 C GLU A 65 -6.905 2.755 13.193 1.00 0.00 C ATOM 1030 O GLU A 65 -7.830 2.789 14.003 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.773 0.539 11.998 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.789 -0.300 11.219 1.00 0.00 C ATOM 1033 CD GLU A 65 -7.963 -1.681 11.855 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -8.827 -1.788 12.752 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -7.227 -2.597 11.431 1.00 0.00 O ATOM 0 H GLU A 65 -5.435 2.058 10.546 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.108 2.136 11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.767 0.328 11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.796 0.260 13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.749 0.216 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.459 -0.410 10.186 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.720 3.317 13.383 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.422 4.037 14.609 1.00 0.00 C ATOM 1045 C GLY A 66 -6.044 5.434 14.589 1.00 0.00 C ATOM 1046 O GLY A 66 -6.569 5.899 15.600 1.00 0.00 O ATOM 0 H GLY A 66 -4.955 3.288 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.802 3.478 15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.342 4.118 14.734 1.00 0.00 H new ATOM 1050 N GLY A 67 -5.964 6.067 13.428 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.512 7.402 13.262 1.00 0.00 C ATOM 1052 C GLY A 67 -5.629 8.248 12.345 1.00 0.00 C ATOM 1053 O GLY A 67 -6.040 9.315 11.890 1.00 0.00 O ATOM 0 H GLY A 67 -5.527 5.679 12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.517 7.337 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.601 7.886 14.235 1.00 0.00 H new ATOM 1057 N THR A 68 -4.429 7.741 12.098 1.00 0.00 N ATOM 1058 CA THR A 68 -3.484 8.438 11.242 1.00 0.00 C ATOM 1059 C THR A 68 -4.053 8.587 9.830 1.00 0.00 C ATOM 1060 O THR A 68 -4.723 7.685 9.328 1.00 0.00 O ATOM 1061 CB THR A 68 -2.157 7.676 11.285 1.00 0.00 C ATOM 1062 OG1 THR A 68 -1.606 8.011 12.555 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.138 8.218 10.282 1.00 0.00 C ATOM 0 H THR A 68 -4.090 6.856 12.476 1.00 0.00 H new ATOM 0 HA THR A 68 -3.305 9.454 11.595 1.00 0.00 H new ATOM 0 HB THR A 68 -2.338 6.620 11.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.705 7.251 13.166 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.215 7.642 10.354 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.541 8.134 9.273 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.931 9.265 10.504 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.766 9.732 9.229 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.240 10.011 7.884 1.00 0.00 C ATOM 1073 C ALA A 69 -3.473 9.141 6.886 1.00 0.00 C ATOM 1074 O ALA A 69 -2.468 8.526 7.238 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.091 11.505 7.590 1.00 0.00 C ATOM 0 H ALA A 69 -3.211 10.478 9.649 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.298 9.764 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.446 11.715 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.678 12.077 8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.042 11.789 7.671 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.990 9.117 5.628 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.365 8.333 4.577 1.00 0.00 C ATOM 1083 C PRO A 70 -2.086 9.009 4.076 1.00 0.00 C ATOM 1084 O PRO A 70 -1.218 8.353 3.502 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.428 8.202 3.499 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.441 9.300 3.777 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.178 9.834 5.175 1.00 0.00 C ATOM 0 HA PRO A 70 -3.042 7.350 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.993 8.314 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.898 7.219 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.350 10.098 3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.456 8.911 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.010 10.911 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.026 9.652 5.835 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.011 10.310 4.312 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.853 11.081 3.892 1.00 0.00 C ATOM 1097 C LYS A 71 0.114 11.223 5.069 1.00 0.00 C ATOM 1098 O LYS A 71 1.072 11.992 5.001 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.290 12.418 3.290 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.898 12.221 1.900 1.00 0.00 C ATOM 1101 CD LYS A 71 -3.188 13.028 1.747 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.419 12.132 1.906 1.00 0.00 C ATOM 1103 NZ LYS A 71 -5.598 12.752 1.262 1.00 0.00 N ATOM 0 H LYS A 71 -2.733 10.850 4.789 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.316 10.561 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.019 12.895 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.433 13.089 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.181 12.527 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.105 11.163 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.214 13.823 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.207 13.508 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.226 11.156 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.621 11.966 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.424 12.131 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.791 13.673 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.408 12.888 0.249 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.170 10.469 6.121 1.00 0.00 N ATOM 1118 CA ASP A 72 0.663 10.501 7.312 1.00 0.00 C ATOM 1119 C ASP A 72 1.340 9.141 7.492 1.00 0.00 C ATOM 1120 O ASP A 72 2.481 9.067 7.946 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.173 10.781 8.561 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.149 12.233 9.044 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.313 13.085 8.255 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -0.592 12.457 10.191 1.00 0.00 O ATOM 0 H ASP A 72 -0.965 9.832 6.174 1.00 0.00 H new ATOM 0 HA ASP A 72 1.401 11.294 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.206 10.498 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.181 10.140 9.368 1.00 0.00 H new ATOM 1130 N VAL A 73 0.610 8.098 7.125 1.00 0.00 N ATOM 1131 CA VAL A 73 1.127 6.745 7.240 1.00 0.00 C ATOM 1132 C VAL A 73 2.412 6.623 6.420 1.00 0.00 C ATOM 1133 O VAL A 73 3.376 5.996 6.859 1.00 0.00 O ATOM 1134 CB VAL A 73 0.053 5.738 6.823 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.391 4.335 7.331 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.330 6.179 7.307 1.00 0.00 C ATOM 0 H VAL A 73 -0.335 8.163 6.748 1.00 0.00 H new ATOM 0 HA VAL A 73 1.381 6.519 8.276 1.00 0.00 H new ATOM 0 HB VAL A 73 0.031 5.703 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.388 3.638 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.347 4.018 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.455 4.348 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.075 5.446 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.327 6.257 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.574 7.149 6.875 1.00 0.00 H new ATOM 1146 N CYS A 74 2.386 7.232 5.243 1.00 0.00 N ATOM 1147 CA CYS A 74 3.537 7.199 4.357 1.00 0.00 C ATOM 1148 C CYS A 74 4.601 8.146 4.917 1.00 0.00 C ATOM 1149 O CYS A 74 4.960 9.131 4.273 1.00 0.00 O ATOM 1150 CB CYS A 74 3.155 7.556 2.919 1.00 0.00 C ATOM 1151 SG CYS A 74 1.451 7.088 2.439 1.00 0.00 S ATOM 0 H CYS A 74 1.585 7.751 4.883 1.00 0.00 H new ATOM 0 HA CYS A 74 3.938 6.186 4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.274 8.631 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.855 7.069 2.240 1.00 0.00 H new ATOM 1156 N THR A 75 5.074 7.813 6.108 1.00 0.00 N ATOM 1157 CA THR A 75 6.090 8.622 6.761 1.00 0.00 C ATOM 1158 C THR A 75 6.450 8.027 8.124 1.00 0.00 C ATOM 1159 O THR A 75 7.603 7.677 8.369 1.00 0.00 O ATOM 1160 CB THR A 75 5.569 10.058 6.844 1.00 0.00 C ATOM 1161 OG1 THR A 75 6.206 10.721 5.753 1.00 0.00 O ATOM 1162 CG2 THR A 75 6.084 10.798 8.081 1.00 0.00 C ATOM 0 H THR A 75 4.773 6.995 6.638 1.00 0.00 H new ATOM 0 HA THR A 75 7.018 8.630 6.189 1.00 0.00 H new ATOM 0 HB THR A 75 4.479 10.049 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.872 10.355 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.684 11.812 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.762 10.272 8.980 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.173 10.838 8.054 1.00 0.00 H new ATOM 1170 N LYS A 76 5.440 7.932 8.977 1.00 0.00 N ATOM 1171 CA LYS A 76 5.635 7.386 10.310 1.00 0.00 C ATOM 1172 C LYS A 76 5.953 5.893 10.203 1.00 0.00 C ATOM 1173 O LYS A 76 6.561 5.318 11.104 1.00 0.00 O ATOM 1174 CB LYS A 76 4.429 7.697 11.199 1.00 0.00 C ATOM 1175 CG LYS A 76 4.669 7.222 12.633 1.00 0.00 C ATOM 1176 CD LYS A 76 3.641 6.163 13.040 1.00 0.00 C ATOM 1177 CE LYS A 76 4.290 5.064 13.883 1.00 0.00 C ATOM 1178 NZ LYS A 76 3.559 4.889 15.158 1.00 0.00 N ATOM 0 H LYS A 76 4.485 8.224 8.771 1.00 0.00 H new ATOM 0 HA LYS A 76 6.488 7.860 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.236 8.770 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.540 7.212 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.674 6.810 12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.612 8.070 13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.835 6.632 13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.192 5.725 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.294 4.126 13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.330 5.319 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.013 4.139 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.577 5.780 15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.573 4.624 14.959 1.00 0.00 H new ATOM 1192 N LEU A 77 5.525 5.308 9.094 1.00 0.00 N ATOM 1193 CA LEU A 77 5.755 3.892 8.857 1.00 0.00 C ATOM 1194 C LEU A 77 7.131 3.705 8.213 1.00 0.00 C ATOM 1195 O LEU A 77 7.447 2.623 7.721 1.00 0.00 O ATOM 1196 CB LEU A 77 4.609 3.292 8.043 1.00 0.00 C ATOM 1197 CG LEU A 77 3.427 2.745 8.848 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.839 1.511 9.654 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.819 3.833 9.735 1.00 0.00 C ATOM 0 H LEU A 77 5.020 5.788 8.349 1.00 0.00 H new ATOM 0 HA LEU A 77 5.766 3.344 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.236 4.056 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.009 2.485 7.429 1.00 0.00 H new ATOM 0 HG LEU A 77 2.652 2.430 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.982 1.141 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.190 0.734 8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.639 1.778 10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.981 3.419 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.575 4.201 10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.467 4.656 9.112 1.00 0.00 H new ATOM 1211 N ASN A 78 7.912 4.775 8.239 1.00 0.00 N ATOM 1212 CA ASN A 78 9.246 4.742 7.664 1.00 0.00 C ATOM 1213 C ASN A 78 9.173 4.161 6.251 1.00 0.00 C ATOM 1214 O ASN A 78 10.127 3.542 5.781 1.00 0.00 O ATOM 1215 CB ASN A 78 10.180 3.857 8.493 1.00 0.00 C ATOM 1216 CG ASN A 78 10.939 4.684 9.533 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.371 5.464 10.278 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.252 4.470 9.540 1.00 0.00 N ATOM 0 H ASN A 78 7.646 5.670 8.649 1.00 0.00 H new ATOM 0 HA ASN A 78 9.633 5.761 7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.602 3.080 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.889 3.354 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.847 4.974 10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.663 3.802 8.888 1.00 0.00 H new ATOM 1225 N GLU A 79 8.032 4.378 5.613 1.00 0.00 N ATOM 1226 CA GLU A 79 7.824 3.884 4.263 1.00 0.00 C ATOM 1227 C GLU A 79 8.439 4.845 3.245 1.00 0.00 C ATOM 1228 O GLU A 79 9.380 4.487 2.538 1.00 0.00 O ATOM 1229 CB GLU A 79 6.335 3.667 3.984 1.00 0.00 C ATOM 1230 CG GLU A 79 5.497 3.936 5.235 1.00 0.00 C ATOM 1231 CD GLU A 79 4.108 3.304 5.112 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.054 2.056 5.077 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.134 4.084 5.056 1.00 0.00 O ATOM 0 H GLU A 79 7.242 4.889 6.006 1.00 0.00 H new ATOM 0 HA GLU A 79 8.323 2.919 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.013 4.326 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.170 2.644 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.006 3.535 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.399 5.011 5.387 1.00 0.00 H new ATOM 1241 N CYS A 80 7.881 6.046 3.201 1.00 0.00 N ATOM 1242 CA CYS A 80 8.363 7.062 2.281 1.00 0.00 C ATOM 1243 C CYS A 80 9.888 7.125 2.390 1.00 0.00 C ATOM 1244 O CYS A 80 10.463 6.665 3.375 1.00 0.00 O ATOM 1245 CB CYS A 80 7.715 8.422 2.548 1.00 0.00 C ATOM 1246 SG CYS A 80 6.075 8.657 1.772 1.00 0.00 S ATOM 0 H CYS A 80 7.100 6.338 3.788 1.00 0.00 H new ATOM 0 HA CYS A 80 8.083 6.794 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 80 7.614 8.555 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.385 9.204 2.192 1.00 0.00 H new ATOM 1251 N PRO A 81 10.516 7.712 1.336 1.00 0.00 N ATOM 1252 CA PRO A 81 11.963 7.840 1.305 1.00 0.00 C ATOM 1253 C PRO A 81 12.436 8.948 2.247 1.00 0.00 C ATOM 1254 O PRO A 81 13.633 9.210 2.352 1.00 0.00 O ATOM 1255 CB PRO A 81 12.302 8.116 -0.151 1.00 0.00 C ATOM 1256 CG PRO A 81 11.010 8.591 -0.798 1.00 0.00 C ATOM 1257 CD PRO A 81 9.868 8.266 0.151 1.00 0.00 C ATOM 0 HA PRO A 81 12.472 6.942 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.081 8.873 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.677 7.218 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.052 9.663 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.860 8.098 -1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.291 9.158 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.176 7.550 -0.293 1.00 0.00 H new TER 1265 PRO A 81