USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 MET CE :methyl 156:sc= -0.85 (180deg=-2.03!) USER MOD Single : A 1 MET N :NH3+ -135:sc= -1.16 (180deg=-1.47) USER MOD Single : A 5 SER OG : rot -72:sc= 0.148 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 154:sc= -0.245 (180deg=-1.12) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc=-0.00765 (180deg=-0.0938) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 26 ASN : amide:sc= -6.58! C(o=-6.6!,f=-12!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.191 USER MOD Single : A 32 ASN : amide:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 73:sc=-0.000393 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 155:sc= -2.95 (180deg=-5.59!) USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.92 USER MOD Single : A 65 GLN : amide:sc= -1.77 K(o=-1.8,f=-12!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.181 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.81! X(o=-1.8!,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.0908 (180deg=-0.532) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.993 4.531 -2.208 1.00 0.00 N ATOM 2 CA MET A 1 -16.067 3.132 -2.616 1.00 0.00 C ATOM 3 C MET A 1 -15.549 2.954 -4.040 1.00 0.00 C ATOM 4 O MET A 1 -15.526 3.900 -4.826 1.00 0.00 O ATOM 5 CB MET A 1 -17.507 2.626 -2.519 1.00 0.00 C ATOM 6 CG MET A 1 -18.198 3.006 -1.219 1.00 0.00 C ATOM 7 SD MET A 1 -17.377 2.315 0.231 1.00 0.00 S ATOM 8 CE MET A 1 -16.744 3.803 1.002 1.00 0.00 C ATOM 0 H1 MET A 1 -15.601 4.592 -1.247 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.379 5.052 -2.866 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.946 4.947 -2.220 1.00 0.00 H new ATOM 0 HA MET A 1 -15.438 2.549 -1.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.081 3.024 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.510 1.541 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.228 4.092 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.231 2.660 -1.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.598 3.627 2.068 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.792 4.073 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.456 4.616 0.863 1.00 0.00 H new ATOM 16 N ALA A 2 -15.133 1.734 -4.364 1.00 0.00 N ATOM 17 CA ALA A 2 -14.617 1.431 -5.694 1.00 0.00 C ATOM 18 C ALA A 2 -14.934 -0.007 -6.092 1.00 0.00 C ATOM 19 O ALA A 2 -15.611 -0.728 -5.360 1.00 0.00 O ATOM 20 CB ALA A 2 -13.116 1.677 -5.745 1.00 0.00 C ATOM 0 H ALA A 2 -15.143 0.940 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.108 2.093 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.743 1.447 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.910 2.722 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.618 1.038 -5.016 1.00 0.00 H new ATOM 26 N ARG A 3 -14.440 -0.416 -7.256 1.00 0.00 N ATOM 27 CA ARG A 3 -14.673 -1.767 -7.752 1.00 0.00 C ATOM 28 C ARG A 3 -13.352 -2.493 -7.991 1.00 0.00 C ATOM 29 O ARG A 3 -12.973 -3.381 -7.229 1.00 0.00 O ATOM 30 CB ARG A 3 -15.487 -1.725 -9.046 1.00 0.00 C ATOM 31 CG ARG A 3 -16.896 -1.185 -8.863 1.00 0.00 C ATOM 32 CD ARG A 3 -17.366 -0.427 -10.094 1.00 0.00 C ATOM 33 NE ARG A 3 -18.343 0.607 -9.759 1.00 0.00 N ATOM 34 CZ ARG A 3 -19.060 1.261 -10.666 1.00 0.00 C ATOM 35 NH1 ARG A 3 -18.913 0.989 -11.955 1.00 0.00 N ATOM 36 NH2 ARG A 3 -19.929 2.188 -10.283 1.00 0.00 N ATOM 0 H ARG A 3 -13.876 0.169 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.236 -2.313 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.962 -1.108 -9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.544 -2.731 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.579 -2.009 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.924 -0.526 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.509 0.030 -10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.807 -1.126 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.482 0.839 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.248 0.276 -12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.465 1.493 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.046 2.398 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.479 2.690 -10.980 1.00 0.00 H new ATOM 47 N GLY A 4 -12.656 -2.109 -9.057 1.00 0.00 N ATOM 48 CA GLY A 4 -11.387 -2.734 -9.379 1.00 0.00 C ATOM 49 C GLY A 4 -10.394 -2.651 -8.237 1.00 0.00 C ATOM 50 O GLY A 4 -9.848 -1.584 -7.957 1.00 0.00 O ATOM 0 H GLY A 4 -12.949 -1.376 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.555 -3.780 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.963 -2.254 -10.261 1.00 0.00 H new ATOM 54 N SER A 5 -10.161 -3.780 -7.574 1.00 0.00 N ATOM 55 CA SER A 5 -9.232 -3.829 -6.452 1.00 0.00 C ATOM 56 C SER A 5 -9.129 -5.245 -5.895 1.00 0.00 C ATOM 57 O SER A 5 -9.726 -6.180 -6.428 1.00 0.00 O ATOM 58 CB SER A 5 -9.678 -2.866 -5.350 1.00 0.00 C ATOM 59 OG SER A 5 -11.079 -2.937 -5.147 1.00 0.00 O ATOM 0 H SER A 5 -10.603 -4.672 -7.795 1.00 0.00 H new ATOM 0 HA SER A 5 -8.249 -3.526 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.160 -3.106 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.397 -1.847 -5.617 1.00 0.00 H new ATOM 0 HG SER A 5 -11.541 -2.519 -5.904 1.00 0.00 H new ATOM 64 N VAL A 6 -8.364 -5.395 -4.816 1.00 0.00 N ATOM 65 CA VAL A 6 -8.183 -6.697 -4.184 1.00 0.00 C ATOM 66 C VAL A 6 -9.525 -7.351 -3.877 1.00 0.00 C ATOM 67 O VAL A 6 -10.503 -6.671 -3.569 1.00 0.00 O ATOM 68 CB VAL A 6 -7.371 -6.578 -2.880 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.898 -6.350 -3.187 1.00 0.00 C ATOM 70 CG2 VAL A 6 -7.923 -5.460 -2.009 1.00 0.00 C ATOM 0 H VAL A 6 -7.861 -4.632 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.634 -7.319 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.461 -7.514 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.340 -6.268 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.513 -7.188 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.784 -5.430 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.338 -5.390 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.865 -4.515 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.963 -5.672 -1.760 1.00 0.00 H new ATOM 80 N SER A 7 -9.563 -8.677 -3.962 1.00 0.00 N ATOM 81 CA SER A 7 -10.787 -9.424 -3.696 1.00 0.00 C ATOM 82 C SER A 7 -11.308 -9.132 -2.292 1.00 0.00 C ATOM 83 O SER A 7 -10.626 -8.503 -1.484 1.00 0.00 O ATOM 84 CB SER A 7 -10.538 -10.925 -3.858 1.00 0.00 C ATOM 85 OG SER A 7 -11.109 -11.410 -5.061 1.00 0.00 O ATOM 0 H SER A 7 -8.761 -9.256 -4.213 1.00 0.00 H new ATOM 0 HA SER A 7 -11.541 -9.107 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.466 -11.121 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.962 -11.461 -3.009 1.00 0.00 H new ATOM 0 HG SER A 7 -10.935 -12.371 -5.142 1.00 0.00 H new ATOM 90 N ASP A 8 -12.521 -9.594 -2.010 1.00 0.00 N ATOM 91 CA ASP A 8 -13.135 -9.384 -0.704 1.00 0.00 C ATOM 92 C ASP A 8 -12.219 -9.876 0.412 1.00 0.00 C ATOM 93 O ASP A 8 -11.972 -9.164 1.384 1.00 0.00 O ATOM 94 CB ASP A 8 -14.483 -10.103 -0.630 1.00 0.00 C ATOM 95 CG ASP A 8 -15.654 -9.161 -0.834 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.668 -8.086 -0.198 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.554 -9.498 -1.630 1.00 0.00 O ATOM 0 H ASP A 8 -13.099 -10.117 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.295 -8.314 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.515 -10.887 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.578 -10.592 0.340 1.00 0.00 H new ATOM 101 N GLU A 9 -11.720 -11.100 0.264 1.00 0.00 N ATOM 102 CA GLU A 9 -10.834 -11.688 1.262 1.00 0.00 C ATOM 103 C GLU A 9 -9.678 -10.745 1.586 1.00 0.00 C ATOM 104 O GLU A 9 -9.512 -10.321 2.728 1.00 0.00 O ATOM 105 CB GLU A 9 -10.290 -13.029 0.766 1.00 0.00 C ATOM 106 CG GLU A 9 -11.110 -14.225 1.220 1.00 0.00 C ATOM 107 CD GLU A 9 -11.014 -15.396 0.262 1.00 0.00 C ATOM 108 OE1 GLU A 9 -10.078 -16.209 0.411 1.00 0.00 O ATOM 109 OE2 GLU A 9 -11.874 -15.499 -0.638 1.00 0.00 O ATOM 0 H GLU A 9 -11.914 -11.702 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.411 -11.853 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.254 -13.016 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.265 -13.148 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.771 -14.539 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.154 -13.928 1.321 1.00 0.00 H new ATOM 114 N GLU A 10 -8.882 -10.425 0.570 1.00 0.00 N ATOM 115 CA GLU A 10 -7.742 -9.534 0.747 1.00 0.00 C ATOM 116 C GLU A 10 -8.192 -8.165 1.248 1.00 0.00 C ATOM 117 O GLU A 10 -7.801 -7.730 2.330 1.00 0.00 O ATOM 118 CB GLU A 10 -6.977 -9.381 -0.570 1.00 0.00 C ATOM 119 CG GLU A 10 -5.700 -10.199 -0.632 1.00 0.00 C ATOM 120 CD GLU A 10 -5.926 -11.660 -0.295 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.096 -12.235 0.441 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.933 -12.229 -0.766 1.00 0.00 O ATOM 0 H GLU A 10 -9.006 -10.769 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.082 -9.975 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.627 -9.675 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.732 -8.329 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.272 -10.123 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.970 -9.779 0.060 1.00 0.00 H new ATOM 127 N MET A 11 -9.017 -7.492 0.453 1.00 0.00 N ATOM 128 CA MET A 11 -9.523 -6.173 0.816 1.00 0.00 C ATOM 129 C MET A 11 -9.805 -6.093 2.314 1.00 0.00 C ATOM 130 O MET A 11 -9.494 -5.093 2.960 1.00 0.00 O ATOM 131 CB MET A 11 -10.795 -5.855 0.028 1.00 0.00 C ATOM 132 CG MET A 11 -11.192 -4.389 0.081 1.00 0.00 C ATOM 133 SD MET A 11 -9.859 -3.289 -0.436 1.00 0.00 S ATOM 134 CE MET A 11 -10.785 -1.821 -0.878 1.00 0.00 C ATOM 0 H MET A 11 -9.350 -7.838 -0.447 1.00 0.00 H new ATOM 0 HA MET A 11 -8.758 -5.437 0.568 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.650 -6.146 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.614 -6.459 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.059 -4.228 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.494 -4.135 1.097 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.098 -1.046 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.487 -2.060 -1.677 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.334 -1.461 -0.008 1.00 0.00 H new ATOM 142 N MET A 12 -10.396 -7.152 2.857 1.00 0.00 N ATOM 143 CA MET A 12 -10.719 -7.200 4.279 1.00 0.00 C ATOM 144 C MET A 12 -9.450 -7.270 5.123 1.00 0.00 C ATOM 145 O MET A 12 -9.290 -6.517 6.081 1.00 0.00 O ATOM 146 CB MET A 12 -11.614 -8.404 4.580 1.00 0.00 C ATOM 147 CG MET A 12 -12.333 -8.307 5.916 1.00 0.00 C ATOM 148 SD MET A 12 -13.085 -9.868 6.414 1.00 0.00 S ATOM 149 CE MET A 12 -11.636 -10.909 6.566 1.00 0.00 C ATOM 0 H MET A 12 -10.661 -7.987 2.335 1.00 0.00 H new ATOM 0 HA MET A 12 -11.254 -6.286 4.536 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.353 -8.505 3.785 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.007 -9.310 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.627 -7.988 6.682 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.105 -7.540 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.838 -11.713 7.274 1.00 0.00 H new ATOM 0 HE2 MET A 12 -11.391 -11.336 5.593 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.796 -10.313 6.923 1.00 0.00 H new ATOM 157 N GLU A 13 -8.553 -8.181 4.759 1.00 0.00 N ATOM 158 CA GLU A 13 -7.299 -8.350 5.484 1.00 0.00 C ATOM 159 C GLU A 13 -6.405 -7.125 5.318 1.00 0.00 C ATOM 160 O GLU A 13 -6.029 -6.479 6.297 1.00 0.00 O ATOM 161 CB GLU A 13 -6.566 -9.601 4.996 1.00 0.00 C ATOM 162 CG GLU A 13 -6.176 -10.553 6.113 1.00 0.00 C ATOM 163 CD GLU A 13 -5.043 -11.481 5.720 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.250 -11.104 4.831 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.947 -12.582 6.301 1.00 0.00 O ATOM 0 H GLU A 13 -8.671 -8.813 3.967 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.534 -8.466 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.201 -10.130 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.668 -9.299 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.881 -9.977 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.044 -11.147 6.399 1.00 0.00 H new ATOM 170 N LEU A 14 -6.068 -6.811 4.071 1.00 0.00 N ATOM 171 CA LEU A 14 -5.218 -5.664 3.775 1.00 0.00 C ATOM 172 C LEU A 14 -5.699 -4.422 4.519 1.00 0.00 C ATOM 173 O LEU A 14 -4.913 -3.728 5.162 1.00 0.00 O ATOM 174 CB LEU A 14 -5.197 -5.395 2.269 1.00 0.00 C ATOM 175 CG LEU A 14 -5.181 -6.630 1.367 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.933 -6.230 -0.080 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.125 -7.619 1.837 1.00 0.00 C ATOM 0 H LEU A 14 -6.371 -7.335 3.250 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.207 -5.896 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.071 -4.795 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.319 -4.791 2.040 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.156 -7.114 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.925 -7.121 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.725 -5.559 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.971 -5.723 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.127 -8.492 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.144 -7.146 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.346 -7.929 2.858 1.00 0.00 H new ATOM 188 N ARG A 15 -6.996 -4.149 4.425 1.00 0.00 N ATOM 189 CA ARG A 15 -7.584 -2.992 5.089 1.00 0.00 C ATOM 190 C ARG A 15 -7.357 -3.058 6.598 1.00 0.00 C ATOM 191 O ARG A 15 -6.962 -2.072 7.219 1.00 0.00 O ATOM 192 CB ARG A 15 -9.082 -2.911 4.792 1.00 0.00 C ATOM 193 CG ARG A 15 -9.828 -1.930 5.681 1.00 0.00 C ATOM 194 CD ARG A 15 -10.927 -2.622 6.474 1.00 0.00 C ATOM 195 NE ARG A 15 -12.224 -1.975 6.290 1.00 0.00 N ATOM 196 CZ ARG A 15 -13.324 -2.338 6.939 1.00 0.00 C ATOM 197 NH1 ARG A 15 -13.285 -3.337 7.811 1.00 0.00 N ATOM 198 NH2 ARG A 15 -14.466 -1.701 6.718 1.00 0.00 N ATOM 0 H ARG A 15 -7.660 -4.714 3.895 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.096 -2.097 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.222 -2.623 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.521 -3.902 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.128 -1.454 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.262 -1.140 5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.995 -3.665 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.667 -2.619 7.533 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.288 -1.203 5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.408 -3.829 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.132 -3.613 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.500 -0.932 6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.311 -1.980 7.217 1.00 0.00 H new ATOM 209 N GLU A 16 -7.612 -4.225 7.179 1.00 0.00 N ATOM 210 CA GLU A 16 -7.436 -4.419 8.613 1.00 0.00 C ATOM 211 C GLU A 16 -6.067 -3.919 9.066 1.00 0.00 C ATOM 212 O GLU A 16 -5.967 -3.040 9.921 1.00 0.00 O ATOM 213 CB GLU A 16 -7.598 -5.897 8.975 1.00 0.00 C ATOM 214 CG GLU A 16 -8.871 -6.199 9.747 1.00 0.00 C ATOM 215 CD GLU A 16 -8.763 -5.834 11.215 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.133 -6.601 11.973 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.309 -4.781 11.606 1.00 0.00 O ATOM 0 H GLU A 16 -7.941 -5.051 6.679 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.203 -3.841 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.589 -6.489 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.740 -6.213 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.701 -5.651 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.104 -7.260 9.656 1.00 0.00 H new ATOM 222 N ALA A 17 -5.015 -4.489 8.487 1.00 0.00 N ATOM 223 CA ALA A 17 -3.652 -4.101 8.829 1.00 0.00 C ATOM 224 C ALA A 17 -3.418 -2.619 8.556 1.00 0.00 C ATOM 225 O ALA A 17 -3.014 -1.870 9.446 1.00 0.00 O ATOM 226 CB ALA A 17 -2.653 -4.947 8.055 1.00 0.00 C ATOM 0 H ALA A 17 -5.081 -5.221 7.779 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.508 -4.274 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.639 -4.647 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.797 -5.998 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.806 -4.803 6.985 1.00 0.00 H new ATOM 232 N PHE A 18 -3.673 -2.203 7.320 1.00 0.00 N ATOM 233 CA PHE A 18 -3.487 -0.810 6.929 1.00 0.00 C ATOM 234 C PHE A 18 -3.985 0.132 8.021 1.00 0.00 C ATOM 235 O PHE A 18 -3.244 0.990 8.501 1.00 0.00 O ATOM 236 CB PHE A 18 -4.223 -0.525 5.618 1.00 0.00 C ATOM 237 CG PHE A 18 -4.129 0.909 5.178 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.958 1.872 5.732 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.214 1.292 4.212 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.874 3.192 5.330 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.126 2.610 3.806 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.958 3.561 4.365 1.00 0.00 C ATOM 0 H PHE A 18 -4.009 -2.810 6.572 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.421 -0.637 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.815 -1.165 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.273 -0.793 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.677 1.588 6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.562 0.553 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.524 3.934 5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.407 2.896 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.892 4.591 4.048 1.00 0.00 H new ATOM 251 N ALA A 19 -5.246 -0.034 8.408 1.00 0.00 N ATOM 252 CA ALA A 19 -5.843 0.799 9.443 1.00 0.00 C ATOM 253 C ALA A 19 -4.963 0.844 10.688 1.00 0.00 C ATOM 254 O ALA A 19 -4.714 1.912 11.248 1.00 0.00 O ATOM 255 CB ALA A 19 -7.232 0.290 9.796 1.00 0.00 C ATOM 0 H ALA A 19 -5.873 -0.738 8.020 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.928 1.813 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.665 0.923 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.865 0.317 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.162 -0.735 10.161 1.00 0.00 H new ATOM 261 N LYS A 20 -4.494 -0.322 11.118 1.00 0.00 N ATOM 262 CA LYS A 20 -3.641 -0.418 12.295 1.00 0.00 C ATOM 263 C LYS A 20 -2.421 0.489 12.159 1.00 0.00 C ATOM 264 O LYS A 20 -1.876 0.966 13.155 1.00 0.00 O ATOM 265 CB LYS A 20 -3.191 -1.865 12.511 1.00 0.00 C ATOM 266 CG LYS A 20 -4.328 -2.871 12.444 1.00 0.00 C ATOM 267 CD LYS A 20 -4.341 -3.778 13.664 1.00 0.00 C ATOM 268 CE LYS A 20 -2.992 -4.448 13.874 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.573 -5.236 12.682 1.00 0.00 N ATOM 0 H LYS A 20 -4.691 -1.216 10.667 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.221 -0.092 13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.445 -2.121 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.703 -1.944 13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.279 -2.343 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.229 -3.474 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.601 -3.196 14.548 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.112 -4.539 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.240 -3.690 14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.043 -5.104 14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.730 -5.798 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.345 -5.872 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.351 -4.589 11.898 1.00 0.00 H new ATOM 279 N VAL A 21 -2.001 0.725 10.921 1.00 0.00 N ATOM 280 CA VAL A 21 -0.848 1.576 10.655 1.00 0.00 C ATOM 281 C VAL A 21 -1.278 2.913 10.061 1.00 0.00 C ATOM 282 O VAL A 21 -0.442 3.729 9.672 1.00 0.00 O ATOM 283 CB VAL A 21 0.145 0.895 9.693 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.474 0.643 10.388 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.441 -0.402 9.158 1.00 0.00 C ATOM 0 H VAL A 21 -2.442 0.339 10.086 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.355 1.747 11.612 1.00 0.00 H new ATOM 0 HB VAL A 21 0.325 1.562 8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.162 0.162 9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.897 1.591 10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.317 -0.005 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.272 -0.871 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.650 -1.077 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.366 -0.189 8.622 1.00 0.00 H new ATOM 295 N ASP A 22 -2.587 3.130 9.993 1.00 0.00 N ATOM 296 CA ASP A 22 -3.129 4.369 9.447 1.00 0.00 C ATOM 297 C ASP A 22 -3.737 5.228 10.550 1.00 0.00 C ATOM 298 O ASP A 22 -4.843 5.751 10.408 1.00 0.00 O ATOM 299 CB ASP A 22 -4.183 4.063 8.382 1.00 0.00 C ATOM 300 CG ASP A 22 -4.653 5.310 7.659 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.879 5.460 7.469 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.796 6.137 7.282 1.00 0.00 O ATOM 0 H ASP A 22 -3.292 2.464 10.309 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.311 4.924 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.771 3.360 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.037 3.574 8.850 1.00 0.00 H new ATOM 306 N THR A 23 -3.008 5.371 11.654 1.00 0.00 N ATOM 307 CA THR A 23 -3.475 6.165 12.782 1.00 0.00 C ATOM 308 C THR A 23 -3.180 7.645 12.573 1.00 0.00 C ATOM 309 O THR A 23 -3.377 8.460 13.474 1.00 0.00 O ATOM 310 CB THR A 23 -2.826 5.704 14.100 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.562 5.085 13.834 1.00 0.00 O ATOM 312 CG2 THR A 23 -3.729 4.726 14.837 1.00 0.00 C ATOM 0 H THR A 23 -2.091 4.946 11.789 1.00 0.00 H new ATOM 0 HA THR A 23 -4.553 6.019 12.846 1.00 0.00 H new ATOM 0 HB THR A 23 -2.676 6.581 14.730 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.155 4.796 14.678 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.248 4.415 15.765 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.679 5.209 15.065 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.907 3.852 14.210 1.00 0.00 H new ATOM 320 N ASP A 24 -2.707 7.986 11.380 1.00 0.00 N ATOM 321 CA ASP A 24 -2.386 9.371 11.052 1.00 0.00 C ATOM 322 C ASP A 24 -3.618 10.261 11.186 1.00 0.00 C ATOM 323 O ASP A 24 -3.504 11.476 11.339 1.00 0.00 O ATOM 324 CB ASP A 24 -1.827 9.464 9.631 1.00 0.00 C ATOM 325 CG ASP A 24 -0.720 8.460 9.377 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.020 7.249 9.315 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.445 8.885 9.239 1.00 0.00 O ATOM 0 H ASP A 24 -2.537 7.323 10.624 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.630 9.719 11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.633 9.301 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.447 10.471 9.459 1.00 0.00 H new ATOM 331 N GLY A 25 -4.796 9.646 11.128 1.00 0.00 N ATOM 332 CA GLY A 25 -6.031 10.398 11.245 1.00 0.00 C ATOM 333 C GLY A 25 -6.393 11.121 9.962 1.00 0.00 C ATOM 334 O GLY A 25 -7.289 11.964 9.949 1.00 0.00 O ATOM 0 H GLY A 25 -4.916 8.641 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.841 9.721 11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.936 11.123 12.053 1.00 0.00 H new ATOM 338 N ASN A 26 -5.694 10.790 8.881 1.00 0.00 N ATOM 339 CA ASN A 26 -5.945 11.416 7.588 1.00 0.00 C ATOM 340 C ASN A 26 -6.499 10.401 6.592 1.00 0.00 C ATOM 341 O ASN A 26 -7.101 10.769 5.584 1.00 0.00 O ATOM 342 CB ASN A 26 -4.659 12.037 7.040 1.00 0.00 C ATOM 343 CG ASN A 26 -3.460 11.123 7.205 1.00 0.00 C ATOM 344 OD1 ASN A 26 -3.546 9.918 6.966 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.333 11.693 7.616 1.00 0.00 N ATOM 0 H ASN A 26 -4.950 10.092 8.875 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.687 12.202 7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.793 12.270 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.467 12.980 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.494 11.128 7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.307 12.695 7.802 1.00 0.00 H new ATOM 351 N GLY A 27 -6.289 9.120 6.881 1.00 0.00 N ATOM 352 CA GLY A 27 -6.773 8.072 6.002 1.00 0.00 C ATOM 353 C GLY A 27 -5.649 7.354 5.283 1.00 0.00 C ATOM 354 O GLY A 27 -5.756 6.165 4.978 1.00 0.00 O ATOM 0 H GLY A 27 -5.792 8.790 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.347 7.351 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.453 8.503 5.267 1.00 0.00 H new ATOM 358 N TYR A 28 -4.567 8.075 5.009 1.00 0.00 N ATOM 359 CA TYR A 28 -3.420 7.501 4.317 1.00 0.00 C ATOM 360 C TYR A 28 -2.246 7.311 5.273 1.00 0.00 C ATOM 361 O TYR A 28 -2.039 8.112 6.185 1.00 0.00 O ATOM 362 CB TYR A 28 -3.002 8.395 3.149 1.00 0.00 C ATOM 363 CG TYR A 28 -3.057 9.873 3.467 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.095 10.466 4.275 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.074 10.674 2.961 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.143 11.815 4.568 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.129 12.024 3.249 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.162 12.590 4.053 1.00 0.00 C ATOM 369 OH TYR A 28 -3.214 13.934 4.343 1.00 0.00 O ATOM 0 H TYR A 28 -4.461 9.059 5.256 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.712 6.524 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.987 8.134 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.650 8.191 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.297 9.862 4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.834 10.234 2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.387 12.261 5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.925 12.633 2.847 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.992 14.334 3.902 1.00 0.00 H new ATOM 378 N ILE A 29 -1.481 6.246 5.056 1.00 0.00 N ATOM 379 CA ILE A 29 -0.327 5.952 5.897 1.00 0.00 C ATOM 380 C ILE A 29 0.952 6.520 5.292 1.00 0.00 C ATOM 381 O ILE A 29 0.935 7.097 4.205 1.00 0.00 O ATOM 382 CB ILE A 29 -0.154 4.436 6.105 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.179 3.752 4.777 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.414 3.838 6.713 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.205 2.242 4.865 1.00 0.00 C ATOM 0 H ILE A 29 -1.639 5.573 4.306 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.511 6.424 6.862 1.00 0.00 H new ATOM 0 HB ILE A 29 0.673 4.271 6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.555 4.052 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.150 4.104 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.276 2.766 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.612 4.308 7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.258 4.011 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.447 1.825 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.959 1.933 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.773 1.879 5.182 1.00 0.00 H new ATOM 396 N SER A 30 2.063 6.350 6.003 1.00 0.00 N ATOM 397 CA SER A 30 3.352 6.848 5.537 1.00 0.00 C ATOM 398 C SER A 30 4.163 5.731 4.888 1.00 0.00 C ATOM 399 O SER A 30 3.889 4.548 5.093 1.00 0.00 O ATOM 400 CB SER A 30 4.139 7.455 6.701 1.00 0.00 C ATOM 401 OG SER A 30 5.500 7.640 6.355 1.00 0.00 O ATOM 0 H SER A 30 2.096 5.872 6.903 1.00 0.00 H new ATOM 0 HA SER A 30 3.167 7.620 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.699 8.412 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.067 6.803 7.572 1.00 0.00 H new ATOM 0 HG SER A 30 5.980 8.030 7.115 1.00 0.00 H new ATOM 406 N PHE A 31 5.164 6.115 4.103 1.00 0.00 N ATOM 407 CA PHE A 31 6.015 5.147 3.421 1.00 0.00 C ATOM 408 C PHE A 31 6.429 4.024 4.369 1.00 0.00 C ATOM 409 O PHE A 31 6.209 2.847 4.087 1.00 0.00 O ATOM 410 CB PHE A 31 7.259 5.837 2.858 1.00 0.00 C ATOM 411 CG PHE A 31 7.066 6.379 1.470 1.00 0.00 C ATOM 412 CD1 PHE A 31 7.267 5.572 0.362 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.684 7.697 1.274 1.00 0.00 C ATOM 414 CE1 PHE A 31 7.090 6.068 -0.917 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.505 8.198 -0.001 1.00 0.00 C ATOM 416 CZ PHE A 31 6.709 7.383 -1.097 1.00 0.00 C ATOM 0 H PHE A 31 5.406 7.090 3.923 1.00 0.00 H new ATOM 0 HA PHE A 31 5.444 4.714 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.544 6.653 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.087 5.128 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.566 4.543 0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.525 8.339 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.249 5.428 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.206 9.226 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.571 7.774 -2.094 1.00 0.00 H new ATOM 425 N ASN A 32 7.031 4.399 5.494 1.00 0.00 N ATOM 426 CA ASN A 32 7.477 3.425 6.483 1.00 0.00 C ATOM 427 C ASN A 32 6.328 2.517 6.909 1.00 0.00 C ATOM 428 O ASN A 32 6.474 1.295 6.955 1.00 0.00 O ATOM 429 CB ASN A 32 8.057 4.138 7.706 1.00 0.00 C ATOM 430 CG ASN A 32 9.403 4.778 7.418 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.578 5.984 7.588 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.360 3.969 6.979 1.00 0.00 N ATOM 0 H ASN A 32 7.221 5.370 5.743 1.00 0.00 H new ATOM 0 HA ASN A 32 8.253 2.810 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.358 4.904 8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.164 3.424 8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.286 4.342 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.169 2.975 6.853 1.00 0.00 H new ATOM 438 N GLU A 33 5.185 3.121 7.217 1.00 0.00 N ATOM 439 CA GLU A 33 4.011 2.366 7.638 1.00 0.00 C ATOM 440 C GLU A 33 3.572 1.391 6.550 1.00 0.00 C ATOM 441 O GLU A 33 3.184 0.257 6.837 1.00 0.00 O ATOM 442 CB GLU A 33 2.861 3.316 7.980 1.00 0.00 C ATOM 443 CG GLU A 33 3.212 4.336 9.051 1.00 0.00 C ATOM 444 CD GLU A 33 4.368 3.889 9.925 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.502 4.359 9.695 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.139 3.070 10.839 1.00 0.00 O ATOM 0 H GLU A 33 5.047 4.131 7.183 1.00 0.00 H new ATOM 0 HA GLU A 33 4.278 1.795 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.554 3.842 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.004 2.731 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.466 5.284 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.337 4.517 9.676 1.00 0.00 H new ATOM 451 N LEU A 34 3.636 1.839 5.300 1.00 0.00 N ATOM 452 CA LEU A 34 3.244 1.006 4.169 1.00 0.00 C ATOM 453 C LEU A 34 4.039 -0.295 4.150 1.00 0.00 C ATOM 454 O LEU A 34 3.471 -1.382 4.253 1.00 0.00 O ATOM 455 CB LEU A 34 3.455 1.764 2.857 1.00 0.00 C ATOM 456 CG LEU A 34 3.625 0.903 1.604 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.299 0.278 1.203 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.193 1.732 0.460 1.00 0.00 C ATOM 0 H LEU A 34 3.955 2.774 5.045 1.00 0.00 H new ATOM 0 HA LEU A 34 2.187 0.763 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.605 2.429 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.338 2.394 2.963 1.00 0.00 H new ATOM 0 HG LEU A 34 4.328 0.101 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.439 -0.331 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.932 -0.349 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.574 1.065 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.307 1.103 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.514 2.554 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.165 2.132 0.748 1.00 0.00 H new ATOM 469 N ASN A 35 5.357 -0.177 4.020 1.00 0.00 N ATOM 470 CA ASN A 35 6.229 -1.345 3.989 1.00 0.00 C ATOM 471 C ASN A 35 5.931 -2.278 5.160 1.00 0.00 C ATOM 472 O ASN A 35 5.782 -3.487 4.982 1.00 0.00 O ATOM 473 CB ASN A 35 7.696 -0.913 4.028 1.00 0.00 C ATOM 474 CG ASN A 35 8.625 -2.052 4.401 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.645 -3.092 3.743 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.400 -1.859 5.462 1.00 0.00 N ATOM 0 H ASN A 35 5.844 0.715 3.935 1.00 0.00 H new ATOM 0 HA ASN A 35 6.040 -1.884 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.982 -0.519 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.814 -0.102 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.046 -2.590 5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.349 -0.980 5.977 1.00 0.00 H new ATOM 482 N ASP A 36 5.847 -1.707 6.356 1.00 0.00 N ATOM 483 CA ASP A 36 5.565 -2.486 7.557 1.00 0.00 C ATOM 484 C ASP A 36 4.198 -3.154 7.463 1.00 0.00 C ATOM 485 O ASP A 36 3.997 -4.258 7.973 1.00 0.00 O ATOM 486 CB ASP A 36 5.625 -1.592 8.797 1.00 0.00 C ATOM 487 CG ASP A 36 6.934 -0.836 8.902 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.918 0.318 9.381 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.977 -1.397 8.506 1.00 0.00 O ATOM 0 H ASP A 36 5.970 -0.708 6.520 1.00 0.00 H new ATOM 0 HA ASP A 36 6.324 -3.263 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.799 -0.881 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.489 -2.203 9.689 1.00 0.00 H new ATOM 493 N LEU A 37 3.259 -2.479 6.809 1.00 0.00 N ATOM 494 CA LEU A 37 1.908 -3.007 6.648 1.00 0.00 C ATOM 495 C LEU A 37 1.903 -4.218 5.721 1.00 0.00 C ATOM 496 O LEU A 37 1.166 -5.179 5.941 1.00 0.00 O ATOM 497 CB LEU A 37 0.978 -1.925 6.096 1.00 0.00 C ATOM 498 CG LEU A 37 -0.126 -2.405 5.154 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.046 -3.385 5.865 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.918 -1.223 4.614 1.00 0.00 C ATOM 0 H LEU A 37 3.408 -1.565 6.382 1.00 0.00 H new ATOM 0 HA LEU A 37 1.549 -3.321 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.512 -1.411 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.584 -1.188 5.568 1.00 0.00 H new ATOM 0 HG LEU A 37 0.339 -2.920 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.826 -3.716 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.469 -4.247 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.503 -2.896 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.700 -1.584 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.372 -0.680 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.251 -0.558 4.066 1.00 0.00 H new ATOM 511 N PHE A 38 2.733 -4.167 4.684 1.00 0.00 N ATOM 512 CA PHE A 38 2.827 -5.260 3.724 1.00 0.00 C ATOM 513 C PHE A 38 3.307 -6.539 4.402 1.00 0.00 C ATOM 514 O PHE A 38 2.677 -7.591 4.288 1.00 0.00 O ATOM 515 CB PHE A 38 3.776 -4.886 2.584 1.00 0.00 C ATOM 516 CG PHE A 38 3.083 -4.699 1.265 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.545 -3.470 0.917 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.969 -5.752 0.372 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.907 -3.294 -0.296 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.332 -5.582 -0.844 1.00 0.00 C ATOM 521 CZ PHE A 38 1.800 -4.352 -1.177 1.00 0.00 C ATOM 0 H PHE A 38 3.351 -3.379 4.487 1.00 0.00 H new ATOM 0 HA PHE A 38 1.832 -5.438 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.299 -3.966 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.532 -5.664 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.625 -2.639 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.382 -6.716 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.493 -2.331 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.251 -6.410 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.301 -4.218 -2.125 1.00 0.00 H new ATOM 530 N LYS A 39 4.430 -6.443 5.108 1.00 0.00 N ATOM 531 CA LYS A 39 4.997 -7.591 5.805 1.00 0.00 C ATOM 532 C LYS A 39 4.089 -8.036 6.947 1.00 0.00 C ATOM 533 O LYS A 39 3.869 -9.230 7.148 1.00 0.00 O ATOM 534 CB LYS A 39 6.386 -7.248 6.346 1.00 0.00 C ATOM 535 CG LYS A 39 7.261 -6.507 5.352 1.00 0.00 C ATOM 536 CD LYS A 39 8.720 -6.511 5.780 1.00 0.00 C ATOM 537 CE LYS A 39 9.321 -7.905 5.696 1.00 0.00 C ATOM 538 NZ LYS A 39 10.810 -7.867 5.673 1.00 0.00 N ATOM 0 H LYS A 39 4.965 -5.581 5.212 1.00 0.00 H new ATOM 0 HA LYS A 39 5.084 -8.412 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.277 -6.640 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.888 -8.169 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.168 -6.969 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.912 -5.479 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.288 -5.830 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.802 -6.139 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.986 -8.497 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.957 -8.404 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.181 -8.837 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.131 -7.324 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.159 -7.414 6.541 1.00 0.00 H new ATOM 548 N ALA A 40 3.565 -7.069 7.691 1.00 0.00 N ATOM 549 CA ALA A 40 2.679 -7.361 8.811 1.00 0.00 C ATOM 550 C ALA A 40 1.350 -7.930 8.326 1.00 0.00 C ATOM 551 O ALA A 40 0.628 -8.579 9.082 1.00 0.00 O ATOM 552 CB ALA A 40 2.447 -6.107 9.642 1.00 0.00 C ATOM 0 H ALA A 40 3.739 -6.075 7.539 1.00 0.00 H new ATOM 0 HA ALA A 40 3.160 -8.114 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.784 -6.340 10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.400 -5.745 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.991 -5.337 9.019 1.00 0.00 H new ATOM 558 N ALA A 41 1.033 -7.682 7.059 1.00 0.00 N ATOM 559 CA ALA A 41 -0.208 -8.170 6.473 1.00 0.00 C ATOM 560 C ALA A 41 -0.049 -9.597 5.959 1.00 0.00 C ATOM 561 O ALA A 41 -0.965 -10.156 5.355 1.00 0.00 O ATOM 562 CB ALA A 41 -0.660 -7.250 5.348 1.00 0.00 C ATOM 0 H ALA A 41 1.619 -7.146 6.419 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.970 -8.174 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.589 -7.628 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.824 -6.247 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.108 -7.216 4.575 1.00 0.00 H new ATOM 568 N CYS A 42 1.119 -10.180 6.201 1.00 0.00 N ATOM 569 CA CYS A 42 1.400 -11.543 5.761 1.00 0.00 C ATOM 570 C CYS A 42 1.220 -11.674 4.252 1.00 0.00 C ATOM 571 O CYS A 42 0.841 -12.735 3.752 1.00 0.00 O ATOM 572 CB CYS A 42 0.486 -12.533 6.485 1.00 0.00 C ATOM 573 SG CYS A 42 1.150 -14.211 6.588 1.00 0.00 S ATOM 0 H CYS A 42 1.887 -9.731 6.699 1.00 0.00 H new ATOM 0 HA CYS A 42 2.437 -11.772 6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.297 -12.166 7.494 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.475 -12.565 5.972 1.00 0.00 H new ATOM 0 HG CYS A 42 0.307 -14.973 7.219 1.00 0.00 H new ATOM 578 N LEU A 43 1.492 -10.591 3.533 1.00 0.00 N ATOM 579 CA LEU A 43 1.358 -10.585 2.080 1.00 0.00 C ATOM 580 C LEU A 43 2.425 -11.461 1.431 1.00 0.00 C ATOM 581 O LEU A 43 3.459 -11.766 2.027 1.00 0.00 O ATOM 582 CB LEU A 43 1.460 -9.156 1.545 1.00 0.00 C ATOM 583 CG LEU A 43 0.151 -8.368 1.480 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.881 -8.969 2.421 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.393 -6.903 1.817 1.00 0.00 C ATOM 0 H LEU A 43 1.806 -9.706 3.931 1.00 0.00 H new ATOM 0 HA LEU A 43 0.378 -10.992 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.162 -8.605 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.888 -9.194 0.543 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.236 -8.427 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.806 -8.395 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.076 -10.003 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.502 -8.941 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.549 -6.357 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.804 -6.824 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.098 -6.477 1.103 1.00 0.00 H new ATOM 596 N PRO A 44 2.173 -11.872 0.180 1.00 0.00 N ATOM 597 CA PRO A 44 3.102 -12.715 -0.578 1.00 0.00 C ATOM 598 C PRO A 44 4.371 -11.970 -0.975 1.00 0.00 C ATOM 599 O PRO A 44 5.482 -12.464 -0.778 1.00 0.00 O ATOM 600 CB PRO A 44 2.297 -13.100 -1.822 1.00 0.00 C ATOM 601 CG PRO A 44 1.301 -12.004 -1.983 1.00 0.00 C ATOM 602 CD PRO A 44 0.962 -11.545 -0.591 1.00 0.00 C ATOM 0 HA PRO A 44 3.446 -13.569 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.939 -13.183 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.807 -14.065 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.713 -11.186 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.412 -12.358 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.743 -10.478 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.085 -12.061 -0.200 1.00 0.00 H new ATOM 607 N LEU A 45 4.200 -10.777 -1.534 1.00 0.00 N ATOM 608 CA LEU A 45 5.333 -9.961 -1.959 1.00 0.00 C ATOM 609 C LEU A 45 6.366 -9.842 -0.843 1.00 0.00 C ATOM 610 O LEU A 45 6.033 -9.681 0.331 1.00 0.00 O ATOM 611 CB LEU A 45 4.856 -8.569 -2.378 1.00 0.00 C ATOM 612 CG LEU A 45 3.891 -8.519 -3.564 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.212 -7.336 -4.463 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.947 -9.820 -4.351 1.00 0.00 C ATOM 0 H LEU A 45 3.288 -10.353 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 45 5.802 -10.450 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.372 -8.100 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.730 -7.965 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 45 2.879 -8.393 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.515 -7.316 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.121 -6.411 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.230 -7.431 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.254 -9.767 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.959 -9.976 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.668 -10.650 -3.702 1.00 0.00 H new ATOM 625 N PRO A 46 7.651 -9.921 -1.217 1.00 0.00 N ATOM 626 CA PRO A 46 8.761 -9.822 -0.264 1.00 0.00 C ATOM 627 C PRO A 46 8.910 -8.415 0.307 1.00 0.00 C ATOM 628 O PRO A 46 8.048 -7.560 0.111 1.00 0.00 O ATOM 629 CB PRO A 46 9.986 -10.191 -1.104 1.00 0.00 C ATOM 630 CG PRO A 46 9.601 -9.854 -2.502 1.00 0.00 C ATOM 631 CD PRO A 46 8.122 -10.113 -2.599 1.00 0.00 C ATOM 0 HA PRO A 46 8.613 -10.467 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.866 -9.630 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.230 -11.249 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.831 -8.813 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.152 -10.466 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.637 -9.422 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.913 -11.121 -2.958 1.00 0.00 H new ATOM 636 N GLY A 47 10.012 -8.182 1.014 1.00 0.00 N ATOM 637 CA GLY A 47 10.256 -6.878 1.602 1.00 0.00 C ATOM 638 C GLY A 47 10.811 -5.885 0.600 1.00 0.00 C ATOM 639 O GLY A 47 10.425 -4.717 0.594 1.00 0.00 O ATOM 0 H GLY A 47 10.740 -8.874 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.326 -6.490 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.955 -6.982 2.431 1.00 0.00 H new ATOM 643 N TYR A 48 11.723 -6.351 -0.248 1.00 0.00 N ATOM 644 CA TYR A 48 12.336 -5.495 -1.256 1.00 0.00 C ATOM 645 C TYR A 48 11.317 -5.081 -2.313 1.00 0.00 C ATOM 646 O TYR A 48 11.350 -3.958 -2.818 1.00 0.00 O ATOM 647 CB TYR A 48 13.512 -6.214 -1.918 1.00 0.00 C ATOM 648 CG TYR A 48 13.102 -7.419 -2.736 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.107 -8.692 -2.181 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.712 -7.283 -4.061 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.735 -9.796 -2.923 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.336 -8.381 -4.812 1.00 0.00 C ATOM 653 CZ TYR A 48 12.349 -9.635 -4.238 1.00 0.00 C ATOM 654 OH TYR A 48 11.977 -10.731 -4.982 1.00 0.00 O ATOM 0 H TYR A 48 12.053 -7.316 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 48 12.701 -4.596 -0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.041 -5.511 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.214 -6.531 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.407 -8.821 -1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.702 -6.302 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.746 -10.779 -2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.034 -8.258 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 48 11.733 -10.445 -5.887 1.00 0.00 H new ATOM 663 N ARG A 49 10.412 -5.996 -2.643 1.00 0.00 N ATOM 664 CA ARG A 49 9.383 -5.728 -3.640 1.00 0.00 C ATOM 665 C ARG A 49 8.565 -4.497 -3.261 1.00 0.00 C ATOM 666 O ARG A 49 8.387 -3.584 -4.068 1.00 0.00 O ATOM 667 CB ARG A 49 8.460 -6.940 -3.790 1.00 0.00 C ATOM 668 CG ARG A 49 8.822 -7.839 -4.960 1.00 0.00 C ATOM 669 CD ARG A 49 7.752 -7.806 -6.041 1.00 0.00 C ATOM 670 NE ARG A 49 7.285 -9.144 -6.390 1.00 0.00 N ATOM 671 CZ ARG A 49 6.298 -9.377 -7.247 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.675 -8.367 -7.838 1.00 0.00 N ATOM 673 NH2 ARG A 49 5.930 -10.625 -7.514 1.00 0.00 N ATOM 0 H ARG A 49 10.370 -6.930 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 49 9.877 -5.535 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.490 -7.525 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.434 -6.592 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.776 -7.523 -5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.953 -8.862 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.909 -7.206 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.150 -7.318 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 49 7.742 -9.944 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.953 -7.407 -7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.917 -8.550 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.406 -11.405 -7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.172 -10.803 -8.172 1.00 0.00 H new ATOM 684 N VAL A 50 8.070 -4.479 -2.027 1.00 0.00 N ATOM 685 CA VAL A 50 7.272 -3.359 -1.541 1.00 0.00 C ATOM 686 C VAL A 50 8.089 -2.072 -1.516 1.00 0.00 C ATOM 687 O VAL A 50 7.719 -1.078 -2.141 1.00 0.00 O ATOM 688 CB VAL A 50 6.725 -3.634 -0.127 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.778 -2.523 0.304 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.029 -4.986 -0.079 1.00 0.00 C ATOM 0 H VAL A 50 8.207 -5.226 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 50 6.436 -3.242 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 50 7.563 -3.657 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.401 -2.734 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.311 -1.572 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.942 -2.466 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.649 -5.164 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.200 -4.994 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.739 -5.770 -0.343 1.00 0.00 H new ATOM 700 N ARG A 51 9.202 -2.097 -0.789 1.00 0.00 N ATOM 701 CA ARG A 51 10.070 -0.931 -0.682 1.00 0.00 C ATOM 702 C ARG A 51 10.446 -0.405 -2.064 1.00 0.00 C ATOM 703 O ARG A 51 10.393 0.799 -2.315 1.00 0.00 O ATOM 704 CB ARG A 51 11.336 -1.283 0.103 1.00 0.00 C ATOM 705 CG ARG A 51 12.337 -0.142 0.185 1.00 0.00 C ATOM 706 CD ARG A 51 12.288 0.546 1.540 1.00 0.00 C ATOM 707 NE ARG A 51 13.623 0.853 2.047 1.00 0.00 N ATOM 708 CZ ARG A 51 13.852 1.365 3.251 1.00 0.00 C ATOM 709 NH1 ARG A 51 12.841 1.625 4.068 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.095 1.618 3.640 1.00 0.00 N ATOM 0 H ARG A 51 9.523 -2.912 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 51 9.525 -0.150 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.056 -1.583 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.816 -2.143 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.342 -0.525 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.128 0.584 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.711 1.467 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.768 -0.094 2.253 1.00 0.00 H new ATOM 0 HE ARG A 51 14.423 0.664 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.884 1.432 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.020 2.018 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.876 1.419 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.270 2.011 4.565 1.00 0.00 H new ATOM 721 N GLU A 52 10.826 -1.315 -2.956 1.00 0.00 N ATOM 722 CA GLU A 52 11.212 -0.941 -4.311 1.00 0.00 C ATOM 723 C GLU A 52 10.030 -0.340 -5.067 1.00 0.00 C ATOM 724 O GLU A 52 10.143 0.730 -5.666 1.00 0.00 O ATOM 725 CB GLU A 52 11.748 -2.159 -5.066 1.00 0.00 C ATOM 726 CG GLU A 52 12.363 -1.817 -6.414 1.00 0.00 C ATOM 727 CD GLU A 52 11.326 -1.705 -7.515 1.00 0.00 C ATOM 728 OE1 GLU A 52 10.204 -2.221 -7.329 1.00 0.00 O ATOM 729 OE2 GLU A 52 11.638 -1.101 -8.564 1.00 0.00 O ATOM 0 H GLU A 52 10.875 -2.316 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 52 11.998 -0.189 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.497 -2.657 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.935 -2.869 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.906 -0.875 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.091 -2.582 -6.682 1.00 0.00 H new ATOM 734 N ILE A 53 8.898 -1.036 -5.033 1.00 0.00 N ATOM 735 CA ILE A 53 7.697 -0.570 -5.715 1.00 0.00 C ATOM 736 C ILE A 53 7.403 0.887 -5.377 1.00 0.00 C ATOM 737 O ILE A 53 7.009 1.671 -6.242 1.00 0.00 O ATOM 738 CB ILE A 53 6.472 -1.429 -5.345 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.539 -2.783 -6.055 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.186 -0.699 -5.703 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.799 -3.884 -5.327 1.00 0.00 C ATOM 0 H ILE A 53 8.788 -1.923 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 53 7.885 -0.661 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 53 6.480 -1.604 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.125 -2.679 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.583 -3.073 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.330 -1.318 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.138 0.243 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.168 -0.498 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.889 -4.815 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.228 -4.015 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.746 -3.616 -5.235 1.00 0.00 H new ATOM 752 N THR A 54 7.597 1.246 -4.111 1.00 0.00 N ATOM 753 CA THR A 54 7.353 2.610 -3.658 1.00 0.00 C ATOM 754 C THR A 54 8.414 3.564 -4.193 1.00 0.00 C ATOM 755 O THR A 54 8.094 4.572 -4.824 1.00 0.00 O ATOM 756 CB THR A 54 7.331 2.695 -2.120 1.00 0.00 C ATOM 757 OG1 THR A 54 7.631 1.415 -1.554 1.00 0.00 O ATOM 758 CG2 THR A 54 5.973 3.169 -1.625 1.00 0.00 C ATOM 0 H THR A 54 7.922 0.611 -3.382 1.00 0.00 H new ATOM 0 HA THR A 54 6.377 2.902 -4.045 1.00 0.00 H new ATOM 0 HB THR A 54 8.087 3.415 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.584 1.220 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.981 3.221 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.761 4.157 -2.034 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.203 2.469 -1.949 1.00 0.00 H new ATOM 766 N GLU A 55 9.678 3.241 -3.937 1.00 0.00 N ATOM 767 CA GLU A 55 10.786 4.072 -4.394 1.00 0.00 C ATOM 768 C GLU A 55 10.652 4.388 -5.882 1.00 0.00 C ATOM 769 O GLU A 55 11.017 5.473 -6.332 1.00 0.00 O ATOM 770 CB GLU A 55 12.121 3.374 -4.128 1.00 0.00 C ATOM 771 CG GLU A 55 13.021 4.128 -3.166 1.00 0.00 C ATOM 772 CD GLU A 55 14.387 4.423 -3.754 1.00 0.00 C ATOM 773 OE1 GLU A 55 15.377 3.822 -3.285 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.468 5.254 -4.682 1.00 0.00 O ATOM 0 H GLU A 55 9.960 2.411 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 55 10.757 5.008 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.927 2.379 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.646 3.240 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.541 5.065 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.141 3.544 -2.253 1.00 0.00 H new ATOM 779 N ASN A 56 10.127 3.430 -6.638 1.00 0.00 N ATOM 780 CA ASN A 56 9.946 3.605 -8.075 1.00 0.00 C ATOM 781 C ASN A 56 8.626 4.308 -8.376 1.00 0.00 C ATOM 782 O ASN A 56 8.500 5.015 -9.377 1.00 0.00 O ATOM 783 CB ASN A 56 9.987 2.249 -8.784 1.00 0.00 C ATOM 784 CG ASN A 56 11.317 1.992 -9.465 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.368 2.011 -8.825 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.276 1.752 -10.770 1.00 0.00 N ATOM 0 H ASN A 56 9.820 2.525 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 56 10.761 4.227 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.794 1.458 -8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.188 2.205 -9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.139 1.573 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.381 1.746 -11.260 1.00 0.00 H new ATOM 792 N LEU A 57 7.645 4.111 -7.502 1.00 0.00 N ATOM 793 CA LEU A 57 6.333 4.727 -7.673 1.00 0.00 C ATOM 794 C LEU A 57 6.440 6.249 -7.655 1.00 0.00 C ATOM 795 O LEU A 57 6.161 6.911 -8.654 1.00 0.00 O ATOM 796 CB LEU A 57 5.381 4.259 -6.571 1.00 0.00 C ATOM 797 CG LEU A 57 4.374 3.179 -6.968 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.408 2.904 -5.826 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.618 3.590 -8.223 1.00 0.00 C ATOM 0 H LEU A 57 7.733 3.530 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 57 5.938 4.420 -8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.977 3.884 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.829 5.124 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 57 4.921 2.261 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.699 2.133 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.965 2.564 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.867 3.818 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.906 2.809 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.083 4.521 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.323 3.734 -9.042 1.00 0.00 H new ATOM 810 N MET A 58 6.848 6.796 -6.515 1.00 0.00 N ATOM 811 CA MET A 58 6.996 8.239 -6.369 1.00 0.00 C ATOM 812 C MET A 58 8.100 8.767 -7.278 1.00 0.00 C ATOM 813 O MET A 58 8.224 9.974 -7.484 1.00 0.00 O ATOM 814 CB MET A 58 7.301 8.597 -4.914 1.00 0.00 C ATOM 815 CG MET A 58 8.278 7.644 -4.245 1.00 0.00 C ATOM 816 SD MET A 58 9.698 8.494 -3.529 1.00 0.00 S ATOM 817 CE MET A 58 9.728 7.778 -1.887 1.00 0.00 C ATOM 0 H MET A 58 7.082 6.261 -5.678 1.00 0.00 H new ATOM 0 HA MET A 58 6.056 8.707 -6.661 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.708 9.608 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.370 8.606 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.760 7.089 -3.463 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.627 6.915 -4.976 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.739 7.835 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.047 8.328 -1.238 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.416 6.735 -1.939 1.00 0.00 H new ATOM 825 N ALA A 59 8.901 7.855 -7.820 1.00 0.00 N ATOM 826 CA ALA A 59 9.994 8.230 -8.709 1.00 0.00 C ATOM 827 C ALA A 59 9.524 9.213 -9.775 1.00 0.00 C ATOM 828 O ALA A 59 10.313 9.991 -10.311 1.00 0.00 O ATOM 829 CB ALA A 59 10.595 6.991 -9.358 1.00 0.00 C ATOM 0 H ALA A 59 8.813 6.852 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 59 10.761 8.723 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.410 7.286 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.978 6.325 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.828 6.474 -9.935 1.00 0.00 H new ATOM 835 N THR A 60 8.230 9.173 -10.079 1.00 0.00 N ATOM 836 CA THR A 60 7.654 10.060 -11.082 1.00 0.00 C ATOM 837 C THR A 60 6.530 10.903 -10.492 1.00 0.00 C ATOM 838 O THR A 60 5.435 10.975 -11.049 1.00 0.00 O ATOM 839 CB THR A 60 7.106 9.267 -12.285 1.00 0.00 C ATOM 840 OG1 THR A 60 6.488 8.058 -11.833 1.00 0.00 O ATOM 841 CG2 THR A 60 8.221 8.937 -13.266 1.00 0.00 C ATOM 0 H THR A 60 7.562 8.536 -9.645 1.00 0.00 H new ATOM 0 HA THR A 60 8.456 10.715 -11.421 1.00 0.00 H new ATOM 0 HB THR A 60 6.366 9.884 -12.794 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.693 8.275 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.812 8.377 -14.107 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.671 9.861 -13.629 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.980 8.336 -12.765 1.00 0.00 H new ATOM 849 N GLY A 61 6.808 11.541 -9.359 1.00 0.00 N ATOM 850 CA GLY A 61 5.810 12.373 -8.711 1.00 0.00 C ATOM 851 C GLY A 61 4.493 11.649 -8.512 1.00 0.00 C ATOM 852 O GLY A 61 3.432 12.173 -8.851 1.00 0.00 O ATOM 0 H GLY A 61 7.706 11.497 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.189 12.704 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.642 13.268 -9.310 1.00 0.00 H new ATOM 856 N ASP A 62 4.561 10.441 -7.964 1.00 0.00 N ATOM 857 CA ASP A 62 3.364 9.642 -7.722 1.00 0.00 C ATOM 858 C ASP A 62 2.880 9.811 -6.285 1.00 0.00 C ATOM 859 O ASP A 62 1.719 10.143 -6.044 1.00 0.00 O ATOM 860 CB ASP A 62 3.643 8.166 -8.010 1.00 0.00 C ATOM 861 CG ASP A 62 3.679 7.864 -9.495 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.183 6.790 -9.894 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.203 8.702 -10.258 1.00 0.00 O ATOM 0 H ASP A 62 5.432 9.993 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 62 2.581 9.993 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.596 7.885 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.875 7.555 -7.536 1.00 0.00 H new ATOM 867 N LEU A 63 3.778 9.579 -5.334 1.00 0.00 N ATOM 868 CA LEU A 63 3.443 9.704 -3.919 1.00 0.00 C ATOM 869 C LEU A 63 3.871 11.063 -3.376 1.00 0.00 C ATOM 870 O LEU A 63 3.898 11.279 -2.164 1.00 0.00 O ATOM 871 CB LEU A 63 4.112 8.587 -3.116 1.00 0.00 C ATOM 872 CG LEU A 63 3.795 7.158 -3.560 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.444 7.125 -5.040 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.969 6.236 -3.268 1.00 0.00 C ATOM 0 H LEU A 63 4.743 9.304 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 63 2.361 9.618 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.192 8.730 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.822 8.694 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 63 2.933 6.805 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.221 6.101 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.572 7.753 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.287 7.497 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.726 5.224 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.850 6.586 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.174 6.236 -2.198 1.00 0.00 H new ATOM 885 N ASP A 64 4.204 11.978 -4.280 1.00 0.00 N ATOM 886 CA ASP A 64 4.628 13.318 -3.892 1.00 0.00 C ATOM 887 C ASP A 64 3.438 14.270 -3.837 1.00 0.00 C ATOM 888 O ASP A 64 3.540 15.376 -3.307 1.00 0.00 O ATOM 889 CB ASP A 64 5.677 13.848 -4.872 1.00 0.00 C ATOM 890 CG ASP A 64 6.588 14.882 -4.241 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.623 16.027 -4.740 1.00 0.00 O ATOM 892 OD2 ASP A 64 7.266 14.547 -3.247 1.00 0.00 O ATOM 0 H ASP A 64 4.188 11.816 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 64 5.069 13.259 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.277 13.017 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.175 14.288 -5.734 1.00 0.00 H new ATOM 896 N GLN A 65 2.311 13.833 -4.392 1.00 0.00 N ATOM 897 CA GLN A 65 1.102 14.648 -4.406 1.00 0.00 C ATOM 898 C GLN A 65 0.799 15.200 -3.017 1.00 0.00 C ATOM 899 O GLN A 65 0.246 16.291 -2.879 1.00 0.00 O ATOM 900 CB GLN A 65 -0.086 13.826 -4.912 1.00 0.00 C ATOM 901 CG GLN A 65 -0.677 12.903 -3.860 1.00 0.00 C ATOM 902 CD GLN A 65 0.216 11.714 -3.559 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.223 11.843 -2.862 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.150 10.550 -4.082 1.00 0.00 N ATOM 0 H GLN A 65 2.211 12.921 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 65 1.269 15.488 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.862 14.504 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.232 13.231 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.848 13.466 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.649 12.546 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.993 10.490 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.411 9.716 -3.912 1.00 0.00 H new ATOM 911 N ASP A 66 1.166 14.439 -1.992 1.00 0.00 N ATOM 912 CA ASP A 66 0.934 14.852 -0.613 1.00 0.00 C ATOM 913 C ASP A 66 2.111 14.462 0.276 1.00 0.00 C ATOM 914 O ASP A 66 2.464 15.183 1.207 1.00 0.00 O ATOM 915 CB ASP A 66 -0.355 14.224 -0.079 1.00 0.00 C ATOM 916 CG ASP A 66 -1.250 15.237 0.607 1.00 0.00 C ATOM 917 OD1 ASP A 66 -1.188 15.339 1.851 1.00 0.00 O ATOM 918 OD2 ASP A 66 -2.015 15.927 -0.099 1.00 0.00 O ATOM 0 H ASP A 66 1.625 13.533 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 66 0.833 15.937 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.899 13.761 -0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.105 13.429 0.624 1.00 0.00 H new ATOM 922 N GLY A 67 2.712 13.313 -0.017 1.00 0.00 N ATOM 923 CA GLY A 67 3.842 12.846 0.766 1.00 0.00 C ATOM 924 C GLY A 67 3.512 11.612 1.581 1.00 0.00 C ATOM 925 O GLY A 67 4.301 11.188 2.425 1.00 0.00 O ATOM 0 H GLY A 67 2.437 12.697 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.676 12.625 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.171 13.642 1.434 1.00 0.00 H new ATOM 929 N ARG A 68 2.340 11.035 1.331 1.00 0.00 N ATOM 930 CA ARG A 68 1.906 9.844 2.051 1.00 0.00 C ATOM 931 C ARG A 68 1.415 8.773 1.082 1.00 0.00 C ATOM 932 O ARG A 68 1.653 8.855 -0.123 1.00 0.00 O ATOM 933 CB ARG A 68 0.797 10.199 3.042 1.00 0.00 C ATOM 934 CG ARG A 68 1.115 11.407 3.906 1.00 0.00 C ATOM 935 CD ARG A 68 1.176 11.038 5.380 1.00 0.00 C ATOM 936 NE ARG A 68 2.252 11.739 6.076 1.00 0.00 N ATOM 937 CZ ARG A 68 2.183 13.016 6.437 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.096 13.726 6.171 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.203 13.584 7.068 1.00 0.00 N ATOM 0 H ARG A 68 1.675 11.373 0.636 1.00 0.00 H new ATOM 0 HA ARG A 68 2.761 9.448 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.124 10.390 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.610 9.341 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.069 11.835 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.356 12.175 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.223 11.276 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.321 9.962 5.479 1.00 0.00 H new ATOM 0 HE ARG A 68 3.102 11.220 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.309 13.292 5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.046 14.706 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.041 13.040 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.149 14.564 7.345 1.00 0.00 H new ATOM 950 N ILE A 69 0.727 7.769 1.617 1.00 0.00 N ATOM 951 CA ILE A 69 0.202 6.682 0.800 1.00 0.00 C ATOM 952 C ILE A 69 -1.149 6.205 1.323 1.00 0.00 C ATOM 953 O ILE A 69 -1.236 5.614 2.399 1.00 0.00 O ATOM 954 CB ILE A 69 1.175 5.488 0.758 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.596 5.971 0.460 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.724 4.474 -0.282 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.640 4.882 0.575 1.00 0.00 C ATOM 0 H ILE A 69 0.520 7.686 2.612 1.00 0.00 H new ATOM 0 HA ILE A 69 0.080 7.076 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 69 1.174 5.002 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.626 6.387 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.848 6.779 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.421 3.636 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.272 4.111 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.699 4.946 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.623 5.295 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.638 4.481 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.412 4.084 -0.131 1.00 0.00 H new ATOM 968 N SER A 70 -2.200 6.464 0.552 1.00 0.00 N ATOM 969 CA SER A 70 -3.548 6.063 0.937 1.00 0.00 C ATOM 970 C SER A 70 -3.798 4.598 0.595 1.00 0.00 C ATOM 971 O SER A 70 -3.128 4.027 -0.268 1.00 0.00 O ATOM 972 CB SER A 70 -4.585 6.946 0.240 1.00 0.00 C ATOM 973 OG SER A 70 -5.221 6.247 -0.816 1.00 0.00 O ATOM 0 H SER A 70 -2.144 6.950 -0.343 1.00 0.00 H new ATOM 0 HA SER A 70 -3.643 6.187 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.331 7.277 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.101 7.841 -0.151 1.00 0.00 H new ATOM 0 HG SER A 70 -5.880 6.832 -1.245 1.00 0.00 H new ATOM 978 N PHE A 71 -4.765 3.993 1.276 1.00 0.00 N ATOM 979 CA PHE A 71 -5.104 2.594 1.045 1.00 0.00 C ATOM 980 C PHE A 71 -5.228 2.303 -0.447 1.00 0.00 C ATOM 981 O PHE A 71 -4.874 1.218 -0.911 1.00 0.00 O ATOM 982 CB PHE A 71 -6.412 2.240 1.756 1.00 0.00 C ATOM 983 CG PHE A 71 -6.653 0.761 1.867 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.601 -0.111 2.096 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.933 0.243 1.741 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.819 -1.472 2.199 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.156 -1.117 1.843 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.099 -1.975 2.070 1.00 0.00 C ATOM 0 H PHE A 71 -5.328 4.450 1.993 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.300 1.980 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.402 2.674 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.243 2.696 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.598 0.278 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.764 0.909 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.990 -2.141 2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.158 -1.509 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.272 -3.038 2.147 1.00 0.00 H new ATOM 997 N ASP A 72 -5.733 3.279 -1.194 1.00 0.00 N ATOM 998 CA ASP A 72 -5.903 3.129 -2.634 1.00 0.00 C ATOM 999 C ASP A 72 -4.593 2.715 -3.296 1.00 0.00 C ATOM 1000 O ASP A 72 -4.532 1.702 -3.992 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.408 4.436 -3.247 1.00 0.00 C ATOM 1002 CG ASP A 72 -7.843 4.739 -2.864 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.149 5.920 -2.593 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.662 3.796 -2.835 1.00 0.00 O ATOM 0 H ASP A 72 -6.032 4.182 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.640 2.345 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.768 5.257 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.329 4.379 -4.333 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.548 3.506 -3.076 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.239 3.222 -3.653 1.00 0.00 C ATOM 1010 C GLU A 73 -1.762 1.827 -3.258 1.00 0.00 C ATOM 1011 O GLU A 73 -1.265 1.070 -4.092 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.219 4.269 -3.202 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.903 5.308 -4.265 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.676 6.598 -4.068 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -1.877 6.996 -2.902 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.080 7.209 -5.080 1.00 0.00 O ATOM 0 H GLU A 73 -3.582 4.349 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.333 3.262 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.598 4.774 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.297 3.765 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.165 5.523 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.133 4.898 -5.248 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.916 1.495 -1.981 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.499 0.194 -1.472 1.00 0.00 C ATOM 1023 C PHE A 74 -2.113 -0.934 -2.298 1.00 0.00 C ATOM 1024 O PHE A 74 -1.405 -1.813 -2.788 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.902 0.043 -0.004 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.729 -1.352 0.525 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.628 -1.682 1.299 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.666 -2.335 0.246 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.465 -2.965 1.787 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.508 -3.619 0.732 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.406 -3.935 1.503 1.00 0.00 C ATOM 0 H PHE A 74 -2.327 2.110 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.414 0.131 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.307 0.728 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.945 0.340 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.112 -0.928 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.529 -2.095 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.397 -3.209 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.246 -4.375 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.281 -4.938 1.883 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.433 -0.899 -2.446 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.141 -1.917 -3.212 1.00 0.00 C ATOM 1042 C ILE A 75 -3.586 -2.025 -4.629 1.00 0.00 C ATOM 1043 O ILE A 75 -3.123 -3.086 -5.047 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.650 -1.618 -3.285 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.261 -1.617 -1.882 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.351 -2.637 -4.172 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.057 -2.916 -1.133 1.00 0.00 C ATOM 0 H ILE A 75 -4.033 -0.178 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.991 -2.864 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.787 -0.629 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.824 -0.802 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.329 -1.416 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.417 -2.412 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.932 -2.594 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.207 -3.637 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.516 -2.843 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.518 -3.733 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.990 -3.109 -1.023 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.637 -0.918 -5.363 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.137 -0.886 -6.732 1.00 0.00 C ATOM 1060 C LYS A 76 -1.704 -1.405 -6.801 1.00 0.00 C ATOM 1061 O LYS A 76 -1.285 -1.964 -7.815 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.202 0.539 -7.286 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.277 0.600 -8.802 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.575 1.833 -9.347 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.112 1.552 -9.655 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.281 2.784 -9.573 1.00 0.00 N ATOM 0 H LYS A 76 -4.019 -0.032 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.769 -1.535 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.073 1.043 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.323 1.090 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.822 -0.295 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.321 0.606 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.080 2.170 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.646 2.644 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.730 0.809 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.027 1.123 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.709 2.550 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.629 3.484 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.341 3.180 -8.613 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.959 -1.217 -5.717 1.00 0.00 N ATOM 1077 CA ILE A 77 0.425 -1.668 -5.655 1.00 0.00 C ATOM 1078 C ILE A 77 0.503 -3.175 -5.435 1.00 0.00 C ATOM 1079 O ILE A 77 1.276 -3.871 -6.094 1.00 0.00 O ATOM 1080 CB ILE A 77 1.200 -0.957 -4.530 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.455 0.505 -4.903 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.512 -1.675 -4.253 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.577 1.422 -3.706 1.00 0.00 C ATOM 0 H ILE A 77 -1.291 -0.756 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 77 0.880 -1.418 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 77 0.597 -0.982 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.370 0.567 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.642 0.856 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.047 -1.160 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.308 -2.702 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.122 -1.679 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.757 2.442 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.654 1.390 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.408 1.096 -3.081 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.307 -3.674 -4.507 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.331 -5.100 -4.201 1.00 0.00 C ATOM 1096 C PHE A 78 -0.718 -5.914 -5.432 1.00 0.00 C ATOM 1097 O PHE A 78 -0.110 -6.945 -5.725 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.312 -5.381 -3.060 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.366 -6.828 -2.660 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.219 -7.603 -2.659 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.566 -7.411 -2.285 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.265 -8.935 -2.289 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.618 -8.742 -1.914 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.466 -9.505 -1.918 1.00 0.00 C ATOM 0 H PHE A 78 -0.955 -3.113 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 78 0.671 -5.397 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.030 -4.783 -2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.309 -5.058 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.723 -7.162 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.470 -6.820 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.638 -9.528 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.558 -9.185 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.505 -10.546 -1.631 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.734 -5.445 -6.149 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.202 -6.129 -7.349 1.00 0.00 C ATOM 1115 C HIS A 79 -1.283 -5.840 -8.532 1.00 0.00 C ATOM 1116 O HIS A 79 -1.065 -6.701 -9.386 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.631 -5.699 -7.681 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.653 -6.762 -7.418 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.434 -7.318 -8.408 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.020 -7.370 -6.266 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.237 -8.223 -7.878 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.006 -8.274 -6.578 1.00 0.00 N ATOM 0 H HIS A 79 -2.249 -4.595 -5.920 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.189 -7.202 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.881 -4.814 -7.096 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.680 -5.411 -8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.613 -7.180 -5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.959 -8.820 -8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.482 -8.885 -5.914 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.748 -4.625 -8.578 1.00 0.00 N ATOM 1130 CA GLY A 80 0.140 -4.245 -9.661 1.00 0.00 C ATOM 1131 C GLY A 80 -0.495 -4.431 -11.025 1.00 0.00 C ATOM 1132 O GLY A 80 0.093 -5.049 -11.913 1.00 0.00 O ATOM 0 H GLY A 80 -0.914 -3.896 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.431 -3.202 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.052 -4.839 -9.604 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.701 -3.898 -11.190 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.419 -4.010 -12.456 1.00 0.00 C ATOM 1138 C LEU A 81 -3.150 -2.712 -12.784 1.00 0.00 C ATOM 1139 O LEU A 81 -3.889 -2.176 -11.957 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.415 -5.169 -12.399 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.815 -6.574 -12.456 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.572 -7.516 -11.534 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -2.824 -7.100 -13.885 1.00 0.00 C ATOM 0 H LEU A 81 -2.202 -3.385 -10.465 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.690 -4.204 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.993 -5.080 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.115 -5.061 -13.227 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.781 -6.521 -12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.130 -8.511 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.513 -7.148 -10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.616 -7.565 -11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.393 -8.101 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.850 -7.138 -14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.235 -6.438 -14.520 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.940 -2.210 -13.996 1.00 0.00 N ATOM 1155 CA LYS A 82 -3.581 -0.977 -14.437 1.00 0.00 C ATOM 1156 C LYS A 82 -5.090 -1.044 -14.228 1.00 0.00 C ATOM 1157 O LYS A 82 -5.633 -0.391 -13.336 1.00 0.00 O ATOM 1158 CB LYS A 82 -3.270 -0.715 -15.913 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.904 -0.093 -16.145 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.867 0.703 -17.439 1.00 0.00 C ATOM 1161 CE LYS A 82 -2.291 2.146 -17.218 1.00 0.00 C ATOM 1162 NZ LYS A 82 -1.327 2.882 -16.353 1.00 0.00 N ATOM 0 H LYS A 82 -2.330 -2.639 -14.692 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.185 -0.157 -13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.330 -1.655 -16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.035 -0.057 -16.326 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.653 0.559 -15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.147 -0.877 -16.177 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.859 0.678 -17.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.525 0.238 -18.173 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.374 2.651 -18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.280 2.168 -16.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.386 3.900 -16.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.559 2.714 -15.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.362 2.547 -16.546 1.00 0.00 H new TER 1172 LYS A 82