USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 SER OG : rot 180:sc= -1.18 USER MOD Set 1.2: A 8 LYS NZ :NH3+ 159:sc= -1.31 (180deg=-0.725) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.2!) USER MOD Single : A 10 MET CE :methyl -175:sc= -0.942 (180deg=-1.04) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00371 X(o=-0.0037,f=-0.0037) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0035) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.0853 (180deg=-0.793) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -4.41! C(o=-5!,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.258 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0061) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 100:sc= -5.5! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0783 K(o=-0.078,f=-2.2) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.195 -9.171 -3.029 1.00 0.00 N ATOM 2 CA MET A 1 -11.867 -9.626 -3.401 1.00 0.00 C ATOM 3 C MET A 1 -10.794 -8.937 -2.554 1.00 0.00 C ATOM 4 O MET A 1 -10.094 -8.049 -3.035 1.00 0.00 O ATOM 5 CB MET A 1 -11.619 -9.326 -4.881 1.00 0.00 C ATOM 6 CG MET A 1 -12.069 -10.494 -5.759 1.00 0.00 C ATOM 7 SD MET A 1 -10.652 -11.441 -6.288 1.00 0.00 S ATOM 8 CE MET A 1 -11.409 -13.045 -6.494 1.00 0.00 C ATOM 0 H1 MET A 1 -13.904 -9.653 -3.617 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.369 -9.390 -2.027 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.264 -8.144 -3.175 1.00 0.00 H new ATOM 0 HA MET A 1 -11.809 -10.700 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.157 -8.422 -5.168 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.559 -9.131 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.757 -11.132 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.611 -10.119 -6.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.658 -13.762 -6.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.831 -13.373 -5.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.201 -12.980 -7.240 1.00 0.00 H new ATOM 16 N ALA A 2 -10.701 -9.374 -1.306 1.00 0.00 N ATOM 17 CA ALA A 2 -9.727 -8.810 -0.387 1.00 0.00 C ATOM 18 C ALA A 2 -9.795 -9.558 0.945 1.00 0.00 C ATOM 19 O ALA A 2 -10.868 -9.998 1.359 1.00 0.00 O ATOM 20 CB ALA A 2 -9.983 -7.309 -0.227 1.00 0.00 C ATOM 0 H ALA A 2 -11.284 -10.112 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.717 -8.928 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.252 -6.887 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.893 -6.819 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.987 -7.151 0.167 1.00 0.00 H new ATOM 26 N ASP A 3 -8.639 -9.681 1.579 1.00 0.00 N ATOM 27 CA ASP A 3 -8.554 -10.370 2.856 1.00 0.00 C ATOM 28 C ASP A 3 -7.197 -10.078 3.499 1.00 0.00 C ATOM 29 O ASP A 3 -7.118 -9.821 4.699 1.00 0.00 O ATOM 30 CB ASP A 3 -8.675 -11.884 2.675 1.00 0.00 C ATOM 31 CG ASP A 3 -8.735 -12.689 3.974 1.00 0.00 C ATOM 32 OD1 ASP A 3 -9.532 -12.290 4.852 1.00 0.00 O ATOM 33 OD2 ASP A 3 -7.984 -13.684 4.062 1.00 0.00 O ATOM 0 H ASP A 3 -7.752 -9.315 1.232 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.371 -10.016 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.573 -12.094 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.826 -12.233 2.088 1.00 0.00 H new ATOM 37 N SER A 4 -6.163 -10.127 2.672 1.00 0.00 N ATOM 38 CA SER A 4 -4.814 -9.871 3.145 1.00 0.00 C ATOM 39 C SER A 4 -3.799 -10.273 2.073 1.00 0.00 C ATOM 40 O SER A 4 -2.952 -9.470 1.683 1.00 0.00 O ATOM 41 CB SER A 4 -4.535 -10.622 4.449 1.00 0.00 C ATOM 42 OG SER A 4 -3.145 -10.877 4.631 1.00 0.00 O ATOM 0 H SER A 4 -6.233 -10.340 1.677 1.00 0.00 H new ATOM 0 HA SER A 4 -4.718 -8.804 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.910 -10.039 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.080 -11.566 4.447 1.00 0.00 H new ATOM 0 HG SER A 4 -3.008 -11.356 5.475 1.00 0.00 H new ATOM 47 N ALA A 5 -3.917 -11.514 1.628 1.00 0.00 N ATOM 48 CA ALA A 5 -3.020 -12.032 0.608 1.00 0.00 C ATOM 49 C ALA A 5 -3.205 -11.232 -0.682 1.00 0.00 C ATOM 50 O ALA A 5 -2.249 -11.013 -1.424 1.00 0.00 O ATOM 51 CB ALA A 5 -3.281 -13.527 0.410 1.00 0.00 C ATOM 0 H ALA A 5 -4.620 -12.177 1.954 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.981 -11.921 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.609 -13.916 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.107 -14.054 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.314 -13.678 0.095 1.00 0.00 H new ATOM 57 N GLU A 6 -4.442 -10.816 -0.911 1.00 0.00 N ATOM 58 CA GLU A 6 -4.765 -10.044 -2.099 1.00 0.00 C ATOM 59 C GLU A 6 -4.219 -8.620 -1.972 1.00 0.00 C ATOM 60 O GLU A 6 -3.728 -8.051 -2.944 1.00 0.00 O ATOM 61 CB GLU A 6 -6.273 -10.033 -2.352 1.00 0.00 C ATOM 62 CG GLU A 6 -6.663 -8.886 -3.287 1.00 0.00 C ATOM 63 CD GLU A 6 -7.819 -9.294 -4.203 1.00 0.00 C ATOM 64 OE1 GLU A 6 -8.497 -10.285 -3.855 1.00 0.00 O ATOM 65 OE2 GLU A 6 -7.998 -8.607 -5.231 1.00 0.00 O ATOM 0 H GLU A 6 -5.233 -10.999 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.290 -10.519 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.579 -10.983 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.804 -9.932 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.951 -8.014 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.803 -8.594 -3.889 1.00 0.00 H new ATOM 70 N LEU A 7 -4.324 -8.086 -0.764 1.00 0.00 N ATOM 71 CA LEU A 7 -3.848 -6.740 -0.496 1.00 0.00 C ATOM 72 C LEU A 7 -2.343 -6.675 -0.762 1.00 0.00 C ATOM 73 O LEU A 7 -1.848 -5.690 -1.310 1.00 0.00 O ATOM 74 CB LEU A 7 -4.242 -6.302 0.915 1.00 0.00 C ATOM 75 CG LEU A 7 -5.423 -5.335 1.013 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.730 -6.089 1.266 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.167 -4.260 2.071 1.00 0.00 C ATOM 0 H LEU A 7 -4.732 -8.562 0.041 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.323 -6.027 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.478 -7.193 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.376 -5.835 1.384 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.526 -4.825 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.553 -5.378 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.914 -6.783 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.655 -6.644 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.022 -3.586 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.022 -4.733 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.274 -3.694 1.806 1.00 0.00 H new ATOM 88 N LYS A 8 -1.656 -7.735 -0.363 1.00 0.00 N ATOM 89 CA LYS A 8 -0.218 -7.811 -0.551 1.00 0.00 C ATOM 90 C LYS A 8 0.097 -7.817 -2.048 1.00 0.00 C ATOM 91 O LYS A 8 1.041 -7.164 -2.491 1.00 0.00 O ATOM 92 CB LYS A 8 0.360 -9.009 0.204 1.00 0.00 C ATOM 93 CG LYS A 8 1.403 -8.561 1.230 1.00 0.00 C ATOM 94 CD LYS A 8 1.050 -9.070 2.629 1.00 0.00 C ATOM 95 CE LYS A 8 -0.276 -8.477 3.109 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.159 -9.543 3.634 1.00 0.00 N ATOM 0 H LYS A 8 -2.070 -8.550 0.090 1.00 0.00 H new ATOM 0 HA LYS A 8 0.268 -6.933 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.443 -9.547 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.815 -9.703 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.386 -8.933 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.465 -7.473 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.983 -10.158 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.844 -8.806 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.090 -7.735 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.769 -7.960 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.873 -9.124 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.634 -10.022 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.591 -10.233 4.166 1.00 0.00 H new ATOM 106 N GLN A 9 -0.712 -8.563 -2.787 1.00 0.00 N ATOM 107 CA GLN A 9 -0.533 -8.663 -4.226 1.00 0.00 C ATOM 108 C GLN A 9 -0.863 -7.327 -4.896 1.00 0.00 C ATOM 109 O GLN A 9 -0.129 -6.870 -5.770 1.00 0.00 O ATOM 110 CB GLN A 9 -1.383 -9.794 -4.806 1.00 0.00 C ATOM 111 CG GLN A 9 -0.507 -10.970 -5.244 1.00 0.00 C ATOM 112 CD GLN A 9 0.219 -10.656 -6.554 1.00 0.00 C ATOM 113 OE1 GLN A 9 1.069 -9.784 -6.628 1.00 0.00 O ATOM 114 NE2 GLN A 9 -0.163 -11.413 -7.578 1.00 0.00 N ATOM 0 H GLN A 9 -1.493 -9.104 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 9 0.512 -8.899 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.104 -10.131 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.954 -9.424 -5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.222 -11.195 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.124 -11.860 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.881 -12.125 -7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.262 -11.281 -8.496 1.00 0.00 H new ATOM 121 N MET A 10 -1.968 -6.742 -4.461 1.00 0.00 N ATOM 122 CA MET A 10 -2.405 -5.469 -5.009 1.00 0.00 C ATOM 123 C MET A 10 -1.454 -4.342 -4.604 1.00 0.00 C ATOM 124 O MET A 10 -1.071 -3.518 -5.434 1.00 0.00 O ATOM 125 CB MET A 10 -3.815 -5.152 -4.503 1.00 0.00 C ATOM 126 CG MET A 10 -4.829 -6.165 -5.039 1.00 0.00 C ATOM 127 SD MET A 10 -6.062 -5.332 -6.024 1.00 0.00 S ATOM 128 CE MET A 10 -6.806 -4.293 -4.778 1.00 0.00 C ATOM 0 H MET A 10 -2.574 -7.125 -3.736 1.00 0.00 H new ATOM 0 HA MET A 10 -2.407 -5.545 -6.096 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.825 -5.163 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.100 -4.147 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.320 -6.918 -5.640 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.306 -6.688 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.659 -3.766 -5.205 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.141 -4.909 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.073 -3.568 -4.423 1.00 0.00 H new ATOM 136 N VAL A 11 -1.097 -4.340 -3.327 1.00 0.00 N ATOM 137 CA VAL A 11 -0.197 -3.329 -2.802 1.00 0.00 C ATOM 138 C VAL A 11 1.156 -3.440 -3.508 1.00 0.00 C ATOM 139 O VAL A 11 1.808 -2.431 -3.773 1.00 0.00 O ATOM 140 CB VAL A 11 -0.090 -3.461 -1.281 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.164 -2.758 -0.757 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.348 -2.925 -0.595 1.00 0.00 C ATOM 0 H VAL A 11 -1.416 -5.024 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.587 -2.331 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.004 -4.521 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.216 -2.867 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.048 -3.206 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.122 -1.700 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.246 -3.030 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.479 -1.872 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.216 -3.490 -0.935 1.00 0.00 H new ATOM 152 N MET A 12 1.540 -4.676 -3.793 1.00 0.00 N ATOM 153 CA MET A 12 2.803 -4.932 -4.462 1.00 0.00 C ATOM 154 C MET A 12 2.830 -4.284 -5.848 1.00 0.00 C ATOM 155 O MET A 12 3.886 -4.188 -6.472 1.00 0.00 O ATOM 156 CB MET A 12 3.011 -6.442 -4.602 1.00 0.00 C ATOM 157 CG MET A 12 3.895 -6.980 -3.474 1.00 0.00 C ATOM 158 SD MET A 12 5.421 -7.614 -4.147 1.00 0.00 S ATOM 159 CE MET A 12 4.907 -9.269 -4.576 1.00 0.00 C ATOM 0 H MET A 12 0.998 -5.511 -3.572 1.00 0.00 H new ATOM 0 HA MET A 12 3.604 -4.500 -3.862 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.046 -6.949 -4.586 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.471 -6.662 -5.566 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.106 -6.187 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.371 -7.768 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.747 -9.809 -5.013 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.569 -9.789 -3.680 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.091 -9.221 -5.297 1.00 0.00 H new ATOM 167 N SER A 13 1.657 -3.854 -6.289 1.00 0.00 N ATOM 168 CA SER A 13 1.533 -3.218 -7.588 1.00 0.00 C ATOM 169 C SER A 13 1.517 -1.696 -7.427 1.00 0.00 C ATOM 170 O SER A 13 1.505 -0.964 -8.415 1.00 0.00 O ATOM 171 CB SER A 13 0.270 -3.688 -8.314 1.00 0.00 C ATOM 172 OG SER A 13 0.425 -3.654 -9.731 1.00 0.00 O ATOM 0 H SER A 13 0.783 -3.934 -5.769 1.00 0.00 H new ATOM 0 HA SER A 13 2.394 -3.504 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.028 -4.703 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.570 -3.056 -8.026 1.00 0.00 H new ATOM 0 HG SER A 13 -0.401 -3.962 -10.158 1.00 0.00 H new ATOM 177 N LEU A 14 1.516 -1.267 -6.174 1.00 0.00 N ATOM 178 CA LEU A 14 1.502 0.154 -5.870 1.00 0.00 C ATOM 179 C LEU A 14 2.893 0.740 -6.121 1.00 0.00 C ATOM 180 O LEU A 14 3.895 0.036 -6.008 1.00 0.00 O ATOM 181 CB LEU A 14 0.981 0.393 -4.451 1.00 0.00 C ATOM 182 CG LEU A 14 -0.485 0.033 -4.205 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.834 0.139 -2.719 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.413 0.883 -5.074 1.00 0.00 C ATOM 0 H LEU A 14 1.525 -1.878 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 14 0.812 0.678 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.596 -0.181 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.122 1.446 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.634 -1.006 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.882 -0.122 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.206 -0.545 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.663 1.160 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.449 0.606 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.268 1.937 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.184 0.712 -6.126 1.00 0.00 H new ATOM 195 N ARG A 15 2.908 2.020 -6.458 1.00 0.00 N ATOM 196 CA ARG A 15 4.159 2.709 -6.726 1.00 0.00 C ATOM 197 C ARG A 15 4.762 3.242 -5.425 1.00 0.00 C ATOM 198 O ARG A 15 4.098 3.258 -4.389 1.00 0.00 O ATOM 199 CB ARG A 15 3.951 3.872 -7.697 1.00 0.00 C ATOM 200 CG ARG A 15 3.496 3.367 -9.069 1.00 0.00 C ATOM 201 CD ARG A 15 4.671 3.299 -10.045 1.00 0.00 C ATOM 202 NE ARG A 15 4.414 4.177 -11.209 1.00 0.00 N ATOM 203 CZ ARG A 15 5.291 4.385 -12.201 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.486 3.781 -12.176 1.00 0.00 N ATOM 205 NH2 ARG A 15 4.971 5.199 -13.217 1.00 0.00 N ATOM 0 H ARG A 15 2.074 2.599 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 15 4.842 1.990 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.207 4.559 -7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.879 4.433 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.046 2.379 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.726 4.028 -9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.589 3.605 -9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.818 2.272 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 15 3.513 4.653 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.729 3.163 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.153 3.939 -12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.061 5.659 -13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.638 5.358 -13.972 1.00 0.00 H new ATOM 216 N VAL A 16 6.015 3.665 -5.519 1.00 0.00 N ATOM 217 CA VAL A 16 6.714 4.197 -4.362 1.00 0.00 C ATOM 218 C VAL A 16 5.876 5.313 -3.734 1.00 0.00 C ATOM 219 O VAL A 16 5.684 5.340 -2.520 1.00 0.00 O ATOM 220 CB VAL A 16 8.117 4.657 -4.765 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.631 5.741 -3.817 1.00 0.00 C ATOM 222 CG2 VAL A 16 9.086 3.474 -4.824 1.00 0.00 C ATOM 0 H VAL A 16 6.563 3.650 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 16 6.845 3.424 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 16 8.055 5.088 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.630 6.050 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.960 6.599 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.671 5.347 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.076 3.828 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.142 3.000 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.732 2.750 -5.558 1.00 0.00 H new ATOM 232 N SER A 17 5.401 6.205 -4.590 1.00 0.00 N ATOM 233 CA SER A 17 4.587 7.320 -4.133 1.00 0.00 C ATOM 234 C SER A 17 3.326 6.799 -3.441 1.00 0.00 C ATOM 235 O SER A 17 2.925 7.320 -2.402 1.00 0.00 O ATOM 236 CB SER A 17 4.213 8.241 -5.297 1.00 0.00 C ATOM 237 OG SER A 17 4.546 9.600 -5.029 1.00 0.00 O ATOM 0 H SER A 17 5.563 6.179 -5.597 1.00 0.00 H new ATOM 0 HA SER A 17 5.171 7.900 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.728 7.912 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.144 8.161 -5.493 1.00 0.00 H new ATOM 0 HG SER A 17 4.294 10.156 -5.796 1.00 0.00 H new ATOM 242 N GLU A 18 2.736 5.779 -4.046 1.00 0.00 N ATOM 243 CA GLU A 18 1.529 5.182 -3.502 1.00 0.00 C ATOM 244 C GLU A 18 1.799 4.618 -2.105 1.00 0.00 C ATOM 245 O GLU A 18 0.992 4.793 -1.194 1.00 0.00 O ATOM 246 CB GLU A 18 0.983 4.099 -4.434 1.00 0.00 C ATOM 247 CG GLU A 18 0.109 4.711 -5.531 1.00 0.00 C ATOM 248 CD GLU A 18 0.119 3.839 -6.789 1.00 0.00 C ATOM 249 OE1 GLU A 18 -0.658 2.861 -6.809 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.905 4.174 -7.703 1.00 0.00 O ATOM 0 H GLU A 18 3.072 5.351 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 18 0.769 5.959 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.810 3.552 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.401 3.379 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.913 4.821 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.470 5.710 -5.774 1.00 0.00 H new ATOM 255 N LEU A 19 2.937 3.952 -1.982 1.00 0.00 N ATOM 256 CA LEU A 19 3.325 3.360 -0.712 1.00 0.00 C ATOM 257 C LEU A 19 3.357 4.449 0.364 1.00 0.00 C ATOM 258 O LEU A 19 2.921 4.224 1.492 1.00 0.00 O ATOM 259 CB LEU A 19 4.644 2.598 -0.855 1.00 0.00 C ATOM 260 CG LEU A 19 4.536 1.163 -1.376 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.672 0.307 -0.448 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.026 1.140 -2.818 1.00 0.00 C ATOM 0 H LEU A 19 3.604 3.809 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 19 2.590 2.620 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.294 3.159 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.135 2.574 0.118 1.00 0.00 H new ATOM 0 HG LEU A 19 5.534 0.725 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.611 -0.708 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.118 0.285 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.671 0.733 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.959 0.108 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.040 1.603 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.715 1.692 -3.457 1.00 0.00 H new ATOM 273 N GLN A 20 3.878 5.603 -0.024 1.00 0.00 N ATOM 274 CA GLN A 20 3.973 6.726 0.893 1.00 0.00 C ATOM 275 C GLN A 20 2.586 7.101 1.419 1.00 0.00 C ATOM 276 O GLN A 20 2.413 7.328 2.616 1.00 0.00 O ATOM 277 CB GLN A 20 4.648 7.925 0.224 1.00 0.00 C ATOM 278 CG GLN A 20 6.078 7.584 -0.199 1.00 0.00 C ATOM 279 CD GLN A 20 6.988 8.809 -0.093 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.601 9.929 -0.384 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.215 8.535 0.340 1.00 0.00 N ATOM 0 H GLN A 20 4.239 5.785 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 20 4.592 6.427 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.071 8.232 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.660 8.770 0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.466 6.783 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.079 7.213 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.473 7.575 0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.898 9.285 0.446 1.00 0.00 H new ATOM 288 N VAL A 21 1.634 7.154 0.500 1.00 0.00 N ATOM 289 CA VAL A 21 0.267 7.498 0.856 1.00 0.00 C ATOM 290 C VAL A 21 -0.257 6.488 1.879 1.00 0.00 C ATOM 291 O VAL A 21 -0.952 6.860 2.823 1.00 0.00 O ATOM 292 CB VAL A 21 -0.597 7.576 -0.404 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.555 6.385 -0.486 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.363 8.899 -0.461 1.00 0.00 C ATOM 0 H VAL A 21 1.782 6.965 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 21 0.229 8.483 1.322 1.00 0.00 H new ATOM 0 HB VAL A 21 0.066 7.534 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.158 6.464 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.982 5.458 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.209 6.383 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.970 8.930 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.010 8.983 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.656 9.729 -0.470 1.00 0.00 H new ATOM 304 N LEU A 22 0.096 5.231 1.658 1.00 0.00 N ATOM 305 CA LEU A 22 -0.330 4.166 2.549 1.00 0.00 C ATOM 306 C LEU A 22 0.161 4.465 3.966 1.00 0.00 C ATOM 307 O LEU A 22 -0.600 4.357 4.927 1.00 0.00 O ATOM 308 CB LEU A 22 0.125 2.806 2.015 1.00 0.00 C ATOM 309 CG LEU A 22 -0.368 2.436 0.614 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.101 0.961 0.311 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.843 2.801 0.438 1.00 0.00 C ATOM 0 H LEU A 22 0.673 4.926 0.874 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.418 4.118 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.215 2.785 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.207 2.035 2.711 1.00 0.00 H new ATOM 0 HG LEU A 22 0.196 3.020 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.461 0.724 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.970 0.766 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.622 0.340 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.168 2.528 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.441 2.262 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.972 3.874 0.582 1.00 0.00 H new ATOM 322 N LEU A 23 1.431 4.836 4.053 1.00 0.00 N ATOM 323 CA LEU A 23 2.032 5.152 5.337 1.00 0.00 C ATOM 324 C LEU A 23 1.516 6.509 5.817 1.00 0.00 C ATOM 325 O LEU A 23 1.295 6.706 7.011 1.00 0.00 O ATOM 326 CB LEU A 23 3.558 5.071 5.248 1.00 0.00 C ATOM 327 CG LEU A 23 4.140 3.688 4.943 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.143 2.584 5.297 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.603 3.597 3.488 1.00 0.00 C ATOM 0 H LEU A 23 2.060 4.925 3.255 1.00 0.00 H new ATOM 0 HA LEU A 23 1.739 4.416 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.894 5.763 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.976 5.419 6.192 1.00 0.00 H new ATOM 0 HG LEU A 23 5.019 3.541 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.581 1.612 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.904 2.636 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.232 2.716 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.012 2.605 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.756 3.774 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.371 4.348 3.303 1.00 0.00 H new ATOM 340 N GLY A 24 1.339 7.410 4.862 1.00 0.00 N ATOM 341 CA GLY A 24 0.853 8.744 5.172 1.00 0.00 C ATOM 342 C GLY A 24 -0.558 8.689 5.764 1.00 0.00 C ATOM 343 O GLY A 24 -0.950 9.572 6.525 1.00 0.00 O ATOM 0 H GLY A 24 1.523 7.243 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.529 9.226 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.849 9.353 4.268 1.00 0.00 H new ATOM 347 N TYR A 25 -1.281 7.644 5.390 1.00 0.00 N ATOM 348 CA TYR A 25 -2.640 7.462 5.874 1.00 0.00 C ATOM 349 C TYR A 25 -2.644 6.935 7.310 1.00 0.00 C ATOM 350 O TYR A 25 -3.473 7.343 8.123 1.00 0.00 O ATOM 351 CB TYR A 25 -3.277 6.416 4.958 1.00 0.00 C ATOM 352 CG TYR A 25 -4.700 6.763 4.513 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.026 8.067 4.200 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.655 5.771 4.425 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.364 8.393 3.782 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.994 6.098 4.006 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.283 7.392 3.705 1.00 0.00 C ATOM 358 OH TYR A 25 -8.547 7.700 3.310 1.00 0.00 O ATOM 0 H TYR A 25 -0.952 6.914 4.758 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.180 8.409 5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.651 6.292 4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.293 5.456 5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.277 8.842 4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.399 4.751 4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.633 9.409 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.752 5.332 3.933 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.094 6.887 3.300 1.00 0.00 H new ATOM 367 N ALA A 26 -1.709 6.036 7.580 1.00 0.00 N ATOM 368 CA ALA A 26 -1.595 5.449 8.905 1.00 0.00 C ATOM 369 C ALA A 26 -0.615 6.274 9.740 1.00 0.00 C ATOM 370 O ALA A 26 -0.153 5.822 10.788 1.00 0.00 O ATOM 371 CB ALA A 26 -1.166 3.986 8.778 1.00 0.00 C ATOM 0 H ALA A 26 -1.023 5.700 6.904 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.557 5.464 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.080 3.545 9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.910 3.438 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.202 3.932 8.272 1.00 0.00 H new ATOM 377 N GLY A 27 -0.325 7.469 9.247 1.00 0.00 N ATOM 378 CA GLY A 27 0.593 8.360 9.935 1.00 0.00 C ATOM 379 C GLY A 27 1.904 7.646 10.271 1.00 0.00 C ATOM 380 O GLY A 27 2.285 7.554 11.436 1.00 0.00 O ATOM 0 H GLY A 27 -0.710 7.841 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.798 9.229 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.130 8.728 10.851 1.00 0.00 H new ATOM 384 N ARG A 28 2.559 7.160 9.226 1.00 0.00 N ATOM 385 CA ARG A 28 3.820 6.458 9.395 1.00 0.00 C ATOM 386 C ARG A 28 4.909 7.110 8.542 1.00 0.00 C ATOM 387 O ARG A 28 4.612 7.901 7.648 1.00 0.00 O ATOM 388 CB ARG A 28 3.686 4.985 9.002 1.00 0.00 C ATOM 389 CG ARG A 28 2.780 4.236 9.980 1.00 0.00 C ATOM 390 CD ARG A 28 3.562 3.783 11.215 1.00 0.00 C ATOM 391 NE ARG A 28 2.727 2.883 12.041 1.00 0.00 N ATOM 392 CZ ARG A 28 1.825 3.307 12.937 1.00 0.00 C ATOM 393 NH1 ARG A 28 1.637 4.619 13.128 1.00 0.00 N ATOM 394 NH2 ARG A 28 1.113 2.418 13.643 1.00 0.00 N ATOM 0 H ARG A 28 2.240 7.239 8.260 1.00 0.00 H new ATOM 0 HA ARG A 28 4.095 6.518 10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.279 4.910 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.671 4.519 8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.955 4.881 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.342 3.370 9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.473 3.269 10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.866 4.650 11.801 1.00 0.00 H new ATOM 0 HE ARG A 28 2.845 1.877 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.180 5.295 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.951 4.942 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.258 1.419 13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.427 2.741 14.325 1.00 0.00 H new ATOM 405 N ASN A 29 6.149 6.753 8.847 1.00 0.00 N ATOM 406 CA ASN A 29 7.284 7.294 8.120 1.00 0.00 C ATOM 407 C ASN A 29 7.316 6.692 6.714 1.00 0.00 C ATOM 408 O ASN A 29 7.119 5.490 6.545 1.00 0.00 O ATOM 409 CB ASN A 29 8.601 6.945 8.815 1.00 0.00 C ATOM 410 CG ASN A 29 9.799 7.415 7.988 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.534 6.631 7.411 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.954 8.736 7.963 1.00 0.00 N ATOM 0 H ASN A 29 6.392 6.095 9.588 1.00 0.00 H new ATOM 0 HA ASN A 29 7.174 8.378 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.630 7.410 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.661 5.868 8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.725 9.149 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.302 9.336 8.469 1.00 0.00 H new ATOM 418 N LYS A 30 7.569 7.555 5.741 1.00 0.00 N ATOM 419 CA LYS A 30 7.629 7.122 4.354 1.00 0.00 C ATOM 420 C LYS A 30 8.840 7.768 3.676 1.00 0.00 C ATOM 421 O LYS A 30 8.875 8.983 3.489 1.00 0.00 O ATOM 422 CB LYS A 30 6.304 7.405 3.646 1.00 0.00 C ATOM 423 CG LYS A 30 6.138 8.901 3.370 1.00 0.00 C ATOM 424 CD LYS A 30 4.690 9.342 3.589 1.00 0.00 C ATOM 425 CE LYS A 30 4.547 10.121 4.898 1.00 0.00 C ATOM 426 NZ LYS A 30 4.289 11.552 4.624 1.00 0.00 N ATOM 0 H LYS A 30 7.735 8.551 5.885 1.00 0.00 H new ATOM 0 HA LYS A 30 7.769 6.042 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.264 6.852 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.476 7.051 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.798 9.470 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.438 9.121 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.365 9.963 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.039 8.468 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.731 9.705 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.455 10.016 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.195 12.066 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.081 11.949 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.410 11.648 4.077 1.00 0.00 H new ATOM 436 N HIS A 31 9.801 6.926 3.328 1.00 0.00 N ATOM 437 CA HIS A 31 11.010 7.399 2.675 1.00 0.00 C ATOM 438 C HIS A 31 11.975 6.230 2.469 1.00 0.00 C ATOM 439 O HIS A 31 12.393 5.590 3.433 1.00 0.00 O ATOM 440 CB HIS A 31 11.636 8.554 3.460 1.00 0.00 C ATOM 441 CG HIS A 31 11.985 9.755 2.614 1.00 0.00 C ATOM 442 ND1 HIS A 31 11.834 11.056 3.060 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.481 9.837 1.345 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.223 11.877 2.095 1.00 0.00 C ATOM 445 NE2 HIS A 31 12.623 11.119 1.034 1.00 0.00 N ATOM 0 H HIS A 31 9.767 5.919 3.486 1.00 0.00 H new ATOM 0 HA HIS A 31 10.763 7.797 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.945 8.863 4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.539 8.196 3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.718 9.001 0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.223 12.956 2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.974 11.479 0.146 1.00 0.00 H new ATOM 452 N GLY A 32 12.299 5.987 1.208 1.00 0.00 N ATOM 453 CA GLY A 32 13.207 4.905 0.865 1.00 0.00 C ATOM 454 C GLY A 32 12.822 4.271 -0.474 1.00 0.00 C ATOM 455 O GLY A 32 11.993 4.810 -1.204 1.00 0.00 O ATOM 0 H GLY A 32 11.950 6.520 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.227 5.285 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.189 4.148 1.649 1.00 0.00 H new ATOM 459 N ARG A 33 13.444 3.135 -0.754 1.00 0.00 N ATOM 460 CA ARG A 33 13.177 2.421 -1.991 1.00 0.00 C ATOM 461 C ARG A 33 11.792 1.771 -1.941 1.00 0.00 C ATOM 462 O ARG A 33 11.164 1.721 -0.885 1.00 0.00 O ATOM 463 CB ARG A 33 14.230 1.341 -2.243 1.00 0.00 C ATOM 464 CG ARG A 33 15.466 1.929 -2.927 1.00 0.00 C ATOM 465 CD ARG A 33 16.436 0.825 -3.353 1.00 0.00 C ATOM 466 NE ARG A 33 16.247 0.510 -4.787 1.00 0.00 N ATOM 467 CZ ARG A 33 17.155 -0.121 -5.543 1.00 0.00 C ATOM 468 NH1 ARG A 33 18.321 -0.508 -5.007 1.00 0.00 N ATOM 469 NH2 ARG A 33 16.897 -0.364 -6.835 1.00 0.00 N ATOM 0 H ARG A 33 14.132 2.691 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 33 13.214 3.145 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.518 0.881 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.806 0.553 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.162 2.507 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.969 2.617 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.463 1.143 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.270 -0.068 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 33 15.371 0.791 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.517 -0.322 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.012 -0.989 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.010 -0.069 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.588 -0.844 -7.411 1.00 0.00 H new ATOM 480 N LYS A 34 11.358 1.289 -3.096 1.00 0.00 N ATOM 481 CA LYS A 34 10.061 0.644 -3.197 1.00 0.00 C ATOM 482 C LYS A 34 10.030 -0.578 -2.279 1.00 0.00 C ATOM 483 O LYS A 34 9.058 -0.791 -1.554 1.00 0.00 O ATOM 484 CB LYS A 34 9.733 0.325 -4.658 1.00 0.00 C ATOM 485 CG LYS A 34 8.223 0.180 -4.862 1.00 0.00 C ATOM 486 CD LYS A 34 7.912 -0.898 -5.902 1.00 0.00 C ATOM 487 CE LYS A 34 8.017 -0.338 -7.321 1.00 0.00 C ATOM 488 NZ LYS A 34 9.432 -0.262 -7.745 1.00 0.00 N ATOM 0 H LYS A 34 11.882 1.332 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 34 9.274 1.317 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.116 1.117 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.234 -0.597 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.747 -0.075 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.803 1.133 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.604 -1.732 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.909 -1.290 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.458 -0.971 -8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.565 0.653 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.486 -0.298 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.848 0.629 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.958 -1.064 -7.343 1.00 0.00 H new ATOM 498 N HIS A 35 11.105 -1.351 -2.339 1.00 0.00 N ATOM 499 CA HIS A 35 11.214 -2.547 -1.521 1.00 0.00 C ATOM 500 C HIS A 35 11.077 -2.173 -0.044 1.00 0.00 C ATOM 501 O HIS A 35 10.370 -2.844 0.707 1.00 0.00 O ATOM 502 CB HIS A 35 12.512 -3.297 -1.825 1.00 0.00 C ATOM 503 CG HIS A 35 13.604 -3.071 -0.807 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.751 -3.545 0.464 1.00 0.00 N flip ATOM 505 CD2 HIS A 35 14.708 -2.274 -1.057 1.00 0.00 C flip ATOM 506 CE1 HIS A 35 14.882 -3.065 0.962 1.00 0.00 C flip ATOM 507 NE2 HIS A 35 15.478 -2.276 0.022 1.00 0.00 N flip ATOM 0 H HIS A 35 11.908 -1.172 -2.942 1.00 0.00 H new ATOM 0 HA HIS A 35 10.402 -3.232 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.298 -4.364 -1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.875 -2.991 -2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.908 -1.741 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.268 -3.266 1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.360 -1.776 0.130 1.00 0.00 H new ATOM 514 N GLU A 36 11.765 -1.103 0.329 1.00 0.00 N ATOM 515 CA GLU A 36 11.729 -0.632 1.702 1.00 0.00 C ATOM 516 C GLU A 36 10.337 -0.097 2.044 1.00 0.00 C ATOM 517 O GLU A 36 9.821 -0.349 3.133 1.00 0.00 O ATOM 518 CB GLU A 36 12.800 0.433 1.945 1.00 0.00 C ATOM 519 CG GLU A 36 14.204 -0.160 1.809 1.00 0.00 C ATOM 520 CD GLU A 36 15.213 0.620 2.655 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.893 0.863 3.839 1.00 0.00 O ATOM 522 OE2 GLU A 36 16.280 0.955 2.099 1.00 0.00 O ATOM 0 H GLU A 36 12.350 -0.549 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 36 11.945 -1.474 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.675 1.248 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.676 0.858 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.193 -1.204 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.510 -0.142 0.763 1.00 0.00 H new ATOM 527 N LEU A 37 9.767 0.630 1.095 1.00 0.00 N ATOM 528 CA LEU A 37 8.445 1.202 1.282 1.00 0.00 C ATOM 529 C LEU A 37 7.408 0.078 1.322 1.00 0.00 C ATOM 530 O LEU A 37 6.470 0.121 2.116 1.00 0.00 O ATOM 531 CB LEU A 37 8.164 2.260 0.214 1.00 0.00 C ATOM 532 CG LEU A 37 8.715 3.660 0.494 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.602 4.551 -0.745 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.035 4.284 1.713 1.00 0.00 C ATOM 0 H LEU A 37 10.197 0.836 0.193 1.00 0.00 H new ATOM 0 HA LEU A 37 8.387 1.723 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.578 1.911 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.085 2.336 0.081 1.00 0.00 H new ATOM 0 HG LEU A 37 9.775 3.569 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.000 5.540 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.170 4.109 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.555 4.639 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.445 5.278 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.963 4.361 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.211 3.658 2.588 1.00 0.00 H new ATOM 545 N LEU A 38 7.613 -0.903 0.455 1.00 0.00 N ATOM 546 CA LEU A 38 6.708 -2.038 0.382 1.00 0.00 C ATOM 547 C LEU A 38 6.652 -2.729 1.746 1.00 0.00 C ATOM 548 O LEU A 38 5.585 -3.152 2.187 1.00 0.00 O ATOM 549 CB LEU A 38 7.108 -2.970 -0.764 1.00 0.00 C ATOM 550 CG LEU A 38 6.175 -2.980 -1.977 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.712 -3.068 -1.542 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.434 -1.770 -2.878 1.00 0.00 C ATOM 0 H LEU A 38 8.392 -0.935 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 38 5.696 -1.704 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.107 -2.691 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.175 -3.985 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 38 6.390 -3.872 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.070 -3.073 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.556 -3.985 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.465 -2.208 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.758 -1.801 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.264 -0.853 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.465 -1.793 -3.230 1.00 0.00 H new ATOM 563 N THR A 39 7.814 -2.822 2.375 1.00 0.00 N ATOM 564 CA THR A 39 7.910 -3.454 3.679 1.00 0.00 C ATOM 565 C THR A 39 7.020 -2.730 4.691 1.00 0.00 C ATOM 566 O THR A 39 6.361 -3.366 5.511 1.00 0.00 O ATOM 567 CB THR A 39 9.386 -3.486 4.082 1.00 0.00 C ATOM 568 OG1 THR A 39 9.949 -4.506 3.261 1.00 0.00 O ATOM 569 CG2 THR A 39 9.594 -3.998 5.508 1.00 0.00 C ATOM 0 H THR A 39 8.697 -2.470 2.005 1.00 0.00 H new ATOM 0 HA THR A 39 7.544 -4.480 3.648 1.00 0.00 H new ATOM 0 HB THR A 39 9.808 -2.485 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.151 -4.139 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.659 -4.000 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.070 -3.348 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.202 -5.012 5.591 1.00 0.00 H new ATOM 577 N LYS A 40 7.030 -1.408 4.598 1.00 0.00 N ATOM 578 CA LYS A 40 6.230 -0.590 5.495 1.00 0.00 C ATOM 579 C LYS A 40 4.747 -0.870 5.249 1.00 0.00 C ATOM 580 O LYS A 40 3.972 -1.007 6.194 1.00 0.00 O ATOM 581 CB LYS A 40 6.610 0.885 5.355 1.00 0.00 C ATOM 582 CG LYS A 40 7.457 1.349 6.542 1.00 0.00 C ATOM 583 CD LYS A 40 8.576 2.286 6.084 1.00 0.00 C ATOM 584 CE LYS A 40 9.792 1.493 5.601 1.00 0.00 C ATOM 585 NZ LYS A 40 11.043 2.106 6.101 1.00 0.00 N ATOM 0 H LYS A 40 7.578 -0.883 3.916 1.00 0.00 H new ATOM 0 HA LYS A 40 6.434 -0.851 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.164 1.035 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.707 1.492 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.824 1.860 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.886 0.484 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.213 2.927 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.867 2.940 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.722 0.462 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.805 1.463 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.858 1.555 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.116 3.082 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.035 2.112 7.141 1.00 0.00 H new ATOM 595 N ALA A 41 4.396 -0.947 3.973 1.00 0.00 N ATOM 596 CA ALA A 41 3.019 -1.208 3.590 1.00 0.00 C ATOM 597 C ALA A 41 2.664 -2.655 3.937 1.00 0.00 C ATOM 598 O ALA A 41 1.556 -2.933 4.393 1.00 0.00 O ATOM 599 CB ALA A 41 2.836 -0.902 2.102 1.00 0.00 C ATOM 0 H ALA A 41 5.042 -0.833 3.192 1.00 0.00 H new ATOM 0 HA ALA A 41 2.337 -0.560 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.803 -1.098 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.073 0.145 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.502 -1.535 1.516 1.00 0.00 H new ATOM 605 N LEU A 42 3.623 -3.538 3.706 1.00 0.00 N ATOM 606 CA LEU A 42 3.426 -4.950 3.988 1.00 0.00 C ATOM 607 C LEU A 42 3.307 -5.151 5.500 1.00 0.00 C ATOM 608 O LEU A 42 2.415 -5.858 5.967 1.00 0.00 O ATOM 609 CB LEU A 42 4.532 -5.786 3.341 1.00 0.00 C ATOM 610 CG LEU A 42 4.537 -5.824 1.812 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.759 -7.248 1.300 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.259 -5.204 1.244 1.00 0.00 C ATOM 0 H LEU A 42 4.540 -3.303 3.326 1.00 0.00 H new ATOM 0 HA LEU A 42 2.494 -5.301 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.495 -5.402 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.450 -6.808 3.710 1.00 0.00 H new ATOM 0 HG LEU A 42 5.373 -5.220 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.758 -7.247 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.718 -7.619 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.959 -7.894 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.288 -5.244 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.394 -5.760 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.183 -4.166 1.567 1.00 0.00 H new ATOM 623 N HIS A 43 4.219 -4.519 6.223 1.00 0.00 N ATOM 624 CA HIS A 43 4.227 -4.620 7.672 1.00 0.00 C ATOM 625 C HIS A 43 2.961 -3.975 8.239 1.00 0.00 C ATOM 626 O HIS A 43 2.488 -4.362 9.307 1.00 0.00 O ATOM 627 CB HIS A 43 5.508 -4.018 8.252 1.00 0.00 C ATOM 628 CG HIS A 43 5.827 -4.483 9.653 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.501 -3.694 10.569 1.00 0.00 N ATOM 630 CD2 HIS A 43 5.557 -5.660 10.284 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.624 -4.377 11.698 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.040 -5.596 11.519 1.00 0.00 N ATOM 0 H HIS A 43 4.958 -3.935 5.832 1.00 0.00 H new ATOM 0 HA HIS A 43 4.222 -5.670 7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.343 -4.269 7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.419 -2.932 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.038 -6.503 9.852 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.103 -4.029 12.601 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.984 -6.336 12.218 1.00 0.00 H new ATOM 639 N LEU A 44 2.447 -3.005 7.499 1.00 0.00 N ATOM 640 CA LEU A 44 1.244 -2.303 7.914 1.00 0.00 C ATOM 641 C LEU A 44 0.111 -3.314 8.109 1.00 0.00 C ATOM 642 O LEU A 44 -0.630 -3.239 9.087 1.00 0.00 O ATOM 643 CB LEU A 44 0.908 -1.185 6.926 1.00 0.00 C ATOM 644 CG LEU A 44 1.318 0.228 7.345 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.688 1.278 6.428 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.987 0.480 8.818 1.00 0.00 C ATOM 0 H LEU A 44 2.842 -2.688 6.613 1.00 0.00 H new ATOM 0 HA LEU A 44 1.402 -1.811 8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.387 -1.413 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.168 -1.193 6.752 1.00 0.00 H new ATOM 0 HG LEU A 44 2.399 0.316 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.996 2.273 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.016 1.109 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.398 1.201 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.288 1.491 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.086 0.366 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.522 -0.238 9.439 1.00 0.00 H new ATOM 657 N LEU A 45 0.013 -4.235 7.162 1.00 0.00 N ATOM 658 CA LEU A 45 -1.016 -5.258 7.217 1.00 0.00 C ATOM 659 C LEU A 45 -0.821 -6.105 8.476 1.00 0.00 C ATOM 660 O LEU A 45 -1.762 -6.314 9.239 1.00 0.00 O ATOM 661 CB LEU A 45 -1.029 -6.076 5.923 1.00 0.00 C ATOM 662 CG LEU A 45 -1.470 -5.330 4.663 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.348 -5.299 3.623 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.761 -5.923 4.096 1.00 0.00 C ATOM 0 H LEU A 45 0.630 -4.294 6.352 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.003 -4.801 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.027 -6.470 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.689 -6.932 6.064 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.685 -4.297 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.688 -4.763 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.522 -4.793 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.078 -6.319 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.051 -5.373 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.599 -6.971 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.553 -5.848 4.841 1.00 0.00 H new ATOM 675 N LYS A 46 0.407 -6.568 8.655 1.00 0.00 N ATOM 676 CA LYS A 46 0.738 -7.386 9.809 1.00 0.00 C ATOM 677 C LYS A 46 0.592 -6.549 11.082 1.00 0.00 C ATOM 678 O LYS A 46 0.263 -7.077 12.143 1.00 0.00 O ATOM 679 CB LYS A 46 2.123 -8.014 9.642 1.00 0.00 C ATOM 680 CG LYS A 46 2.227 -9.330 10.417 1.00 0.00 C ATOM 681 CD LYS A 46 3.207 -10.289 9.740 1.00 0.00 C ATOM 682 CE LYS A 46 4.649 -9.980 10.151 1.00 0.00 C ATOM 683 NZ LYS A 46 5.194 -11.072 10.988 1.00 0.00 N ATOM 0 H LYS A 46 1.185 -6.392 8.020 1.00 0.00 H new ATOM 0 HA LYS A 46 0.043 -8.221 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.319 -8.194 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.886 -7.319 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.554 -9.130 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.244 -9.796 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.961 -11.316 10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.109 -10.211 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.267 -9.852 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.683 -9.040 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.173 -10.847 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.613 -11.176 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.179 -11.962 10.450 1.00 0.00 H new ATOM 693 N ALA A 47 0.845 -5.256 10.934 1.00 0.00 N ATOM 694 CA ALA A 47 0.746 -4.342 12.058 1.00 0.00 C ATOM 695 C ALA A 47 -0.712 -3.913 12.233 1.00 0.00 C ATOM 696 O ALA A 47 -1.026 -3.110 13.111 1.00 0.00 O ATOM 697 CB ALA A 47 1.681 -3.152 11.831 1.00 0.00 C ATOM 0 H ALA A 47 1.118 -4.821 10.053 1.00 0.00 H new ATOM 0 HA ALA A 47 1.059 -4.831 12.980 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.607 -2.465 12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.707 -3.508 11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.395 -2.634 10.915 1.00 0.00 H new ATOM 703 N GLY A 48 -1.566 -4.466 11.384 1.00 0.00 N ATOM 704 CA GLY A 48 -2.983 -4.152 11.435 1.00 0.00 C ATOM 705 C GLY A 48 -3.243 -2.718 10.969 1.00 0.00 C ATOM 706 O GLY A 48 -2.888 -1.763 11.658 1.00 0.00 O ATOM 0 H GLY A 48 -1.303 -5.130 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.537 -4.849 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.351 -4.280 12.453 1.00 0.00 H new ATOM 710 N CYS A 49 -3.860 -2.612 9.801 1.00 0.00 N ATOM 711 CA CYS A 49 -4.171 -1.310 9.234 1.00 0.00 C ATOM 712 C CYS A 49 -5.689 -1.209 9.071 1.00 0.00 C ATOM 713 O CYS A 49 -6.338 -2.167 8.657 1.00 0.00 O ATOM 714 CB CYS A 49 -3.438 -1.079 7.911 1.00 0.00 C ATOM 715 SG CYS A 49 -3.235 0.715 7.613 1.00 0.00 S ATOM 0 H CYS A 49 -4.153 -3.406 9.232 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.825 -0.525 9.906 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.462 -1.564 7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.997 -1.531 7.092 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.031 1.076 7.943 1.00 0.00 H new ATOM 720 N SER A 50 -6.210 -0.037 9.404 1.00 0.00 N ATOM 721 CA SER A 50 -7.639 0.203 9.299 1.00 0.00 C ATOM 722 C SER A 50 -8.129 -0.154 7.895 1.00 0.00 C ATOM 723 O SER A 50 -7.324 -0.381 6.992 1.00 0.00 O ATOM 724 CB SER A 50 -7.979 1.659 9.625 1.00 0.00 C ATOM 725 OG SER A 50 -8.520 1.801 10.936 1.00 0.00 O ATOM 0 H SER A 50 -5.668 0.756 9.747 1.00 0.00 H new ATOM 0 HA SER A 50 -8.146 -0.432 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.081 2.270 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.695 2.036 8.895 1.00 0.00 H new ATOM 0 HG SER A 50 -8.722 2.745 11.106 1.00 0.00 H new ATOM 730 N PRO A 51 -9.480 -0.196 7.749 1.00 0.00 N ATOM 731 CA PRO A 51 -10.086 -0.521 6.469 1.00 0.00 C ATOM 732 C PRO A 51 -9.983 0.656 5.498 1.00 0.00 C ATOM 733 O PRO A 51 -10.111 0.479 4.288 1.00 0.00 O ATOM 734 CB PRO A 51 -11.522 -0.896 6.798 1.00 0.00 C ATOM 735 CG PRO A 51 -11.798 -0.322 8.179 1.00 0.00 C ATOM 736 CD PRO A 51 -10.464 0.067 8.796 1.00 0.00 C ATOM 0 HA PRO A 51 -9.580 -1.342 5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.211 -0.486 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.654 -1.978 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.453 0.546 8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.308 -1.056 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.456 1.116 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.256 -0.519 9.691 1.00 0.00 H new ATOM 741 N ALA A 52 -9.752 1.831 6.065 1.00 0.00 N ATOM 742 CA ALA A 52 -9.631 3.037 5.264 1.00 0.00 C ATOM 743 C ALA A 52 -8.399 2.924 4.363 1.00 0.00 C ATOM 744 O ALA A 52 -8.430 3.345 3.207 1.00 0.00 O ATOM 745 CB ALA A 52 -9.567 4.257 6.185 1.00 0.00 C ATOM 0 H ALA A 52 -9.645 1.973 7.069 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.502 3.159 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.476 5.162 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.476 4.309 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.703 4.171 6.844 1.00 0.00 H new ATOM 751 N VAL A 53 -7.345 2.351 4.925 1.00 0.00 N ATOM 752 CA VAL A 53 -6.106 2.176 4.186 1.00 0.00 C ATOM 753 C VAL A 53 -6.266 1.021 3.196 1.00 0.00 C ATOM 754 O VAL A 53 -5.764 1.087 2.074 1.00 0.00 O ATOM 755 CB VAL A 53 -4.942 1.973 5.158 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.599 2.190 4.457 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.079 2.889 6.376 1.00 0.00 C ATOM 0 H VAL A 53 -7.323 2.002 5.883 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.877 3.071 3.607 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.974 0.942 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.788 2.040 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.498 1.479 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.553 3.206 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.239 2.725 7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.085 3.929 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.011 2.666 6.896 1.00 0.00 H new ATOM 767 N GLN A 54 -6.967 -0.009 3.646 1.00 0.00 N ATOM 768 CA GLN A 54 -7.199 -1.176 2.813 1.00 0.00 C ATOM 769 C GLN A 54 -7.948 -0.779 1.539 1.00 0.00 C ATOM 770 O GLN A 54 -7.695 -1.330 0.468 1.00 0.00 O ATOM 771 CB GLN A 54 -7.963 -2.256 3.582 1.00 0.00 C ATOM 772 CG GLN A 54 -7.068 -2.914 4.635 1.00 0.00 C ATOM 773 CD GLN A 54 -7.506 -4.356 4.903 1.00 0.00 C ATOM 774 OE1 GLN A 54 -7.796 -5.122 3.997 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.538 -4.682 6.191 1.00 0.00 N ATOM 0 H GLN A 54 -7.382 -0.060 4.577 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.232 -1.592 2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.836 -1.816 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.330 -3.012 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.032 -2.902 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.107 -2.340 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.283 -3.993 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.818 -5.622 6.472 1.00 0.00 H new ATOM 782 N MET A 55 -8.856 0.173 1.696 1.00 0.00 N ATOM 783 CA MET A 55 -9.642 0.650 0.572 1.00 0.00 C ATOM 784 C MET A 55 -8.793 1.511 -0.366 1.00 0.00 C ATOM 785 O MET A 55 -8.974 1.474 -1.582 1.00 0.00 O ATOM 786 CB MET A 55 -10.825 1.472 1.089 1.00 0.00 C ATOM 787 CG MET A 55 -11.767 0.608 1.930 1.00 0.00 C ATOM 788 SD MET A 55 -12.966 -0.190 0.877 1.00 0.00 S ATOM 789 CE MET A 55 -14.224 -0.583 2.082 1.00 0.00 C ATOM 0 H MET A 55 -9.065 0.627 2.585 1.00 0.00 H new ATOM 0 HA MET A 55 -10.004 -0.213 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.459 2.306 1.688 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.371 1.899 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.195 -0.142 2.477 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.275 1.225 2.671 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.054 -1.090 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.803 -1.235 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.584 0.336 2.545 1.00 0.00 H new ATOM 797 N LYS A 56 -7.885 2.266 0.236 1.00 0.00 N ATOM 798 CA LYS A 56 -7.008 3.133 -0.531 1.00 0.00 C ATOM 799 C LYS A 56 -6.151 2.284 -1.471 1.00 0.00 C ATOM 800 O LYS A 56 -5.758 2.743 -2.543 1.00 0.00 O ATOM 801 CB LYS A 56 -6.192 4.030 0.403 1.00 0.00 C ATOM 802 CG LYS A 56 -5.693 5.277 -0.330 1.00 0.00 C ATOM 803 CD LYS A 56 -6.863 6.145 -0.796 1.00 0.00 C ATOM 804 CE LYS A 56 -6.870 6.284 -2.319 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.348 7.610 -2.721 1.00 0.00 N ATOM 0 H LYS A 56 -7.738 2.295 1.245 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.592 3.808 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.804 4.326 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.343 3.472 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.046 5.856 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.090 4.981 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.803 5.704 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.794 7.131 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.262 5.497 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.884 6.156 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.360 7.688 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.945 8.357 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.373 7.718 -2.377 1.00 0.00 H new ATOM 815 N ILE A 57 -5.887 1.061 -1.037 1.00 0.00 N ATOM 816 CA ILE A 57 -5.083 0.144 -1.826 1.00 0.00 C ATOM 817 C ILE A 57 -5.812 -0.167 -3.135 1.00 0.00 C ATOM 818 O ILE A 57 -5.190 -0.234 -4.195 1.00 0.00 O ATOM 819 CB ILE A 57 -4.730 -1.100 -1.008 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.858 -0.736 0.195 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.078 -2.169 -1.888 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.655 -1.945 1.110 1.00 0.00 C ATOM 0 H ILE A 57 -6.216 0.683 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.130 0.603 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.654 -1.526 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.891 -0.370 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.325 0.074 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.837 -3.042 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.767 -2.457 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.164 -1.770 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.032 -1.659 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.622 -2.294 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.166 -2.745 0.553 1.00 0.00 H new ATOM 833 N LYS A 58 -7.118 -0.350 -3.019 1.00 0.00 N ATOM 834 CA LYS A 58 -7.938 -0.653 -4.181 1.00 0.00 C ATOM 835 C LYS A 58 -8.028 0.587 -5.072 1.00 0.00 C ATOM 836 O LYS A 58 -8.035 0.476 -6.297 1.00 0.00 O ATOM 837 CB LYS A 58 -9.299 -1.199 -3.748 1.00 0.00 C ATOM 838 CG LYS A 58 -9.167 -2.616 -3.184 1.00 0.00 C ATOM 839 CD LYS A 58 -10.102 -2.819 -1.989 1.00 0.00 C ATOM 840 CE LYS A 58 -11.063 -3.984 -2.237 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.372 -3.721 -1.598 1.00 0.00 N ATOM 0 H LYS A 58 -7.630 -0.295 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.479 -1.442 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.735 -0.543 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.980 -1.204 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.400 -3.344 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.136 -2.795 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.514 -3.012 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.670 -1.906 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.198 -4.130 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.637 -4.906 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.012 -4.521 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.241 -3.604 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.784 -2.853 -1.996 1.00 0.00 H new ATOM 851 N GLU A 59 -8.097 1.740 -4.423 1.00 0.00 N ATOM 852 CA GLU A 59 -8.186 2.999 -5.142 1.00 0.00 C ATOM 853 C GLU A 59 -6.879 3.281 -5.887 1.00 0.00 C ATOM 854 O GLU A 59 -6.892 3.586 -7.079 1.00 0.00 O ATOM 855 CB GLU A 59 -8.535 4.148 -4.194 1.00 0.00 C ATOM 856 CG GLU A 59 -9.797 3.832 -3.390 1.00 0.00 C ATOM 857 CD GLU A 59 -10.921 4.816 -3.723 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.585 5.988 -4.001 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.089 4.375 -3.691 1.00 0.00 O ATOM 0 H GLU A 59 -8.093 1.828 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.988 2.919 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.702 4.329 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.684 5.064 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.124 2.815 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.574 3.877 -2.324 1.00 0.00 H new ATOM 864 N LEU A 60 -5.781 3.167 -5.153 1.00 0.00 N ATOM 865 CA LEU A 60 -4.469 3.405 -5.729 1.00 0.00 C ATOM 866 C LEU A 60 -4.239 2.429 -6.884 1.00 0.00 C ATOM 867 O LEU A 60 -3.806 2.830 -7.964 1.00 0.00 O ATOM 868 CB LEU A 60 -3.390 3.341 -4.646 1.00 0.00 C ATOM 869 CG LEU A 60 -3.540 4.329 -3.489 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.892 3.786 -2.215 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.990 5.706 -3.869 1.00 0.00 C ATOM 0 H LEU A 60 -5.774 2.913 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.412 4.411 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.375 2.331 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.421 3.508 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.603 4.452 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.014 4.509 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.370 2.847 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.830 3.615 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.109 6.390 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.933 5.619 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.536 6.091 -4.730 1.00 0.00 H new ATOM 882 N TYR A 61 -4.541 1.166 -6.621 1.00 0.00 N ATOM 883 CA TYR A 61 -4.373 0.130 -7.625 1.00 0.00 C ATOM 884 C TYR A 61 -5.331 0.344 -8.798 1.00 0.00 C ATOM 885 O TYR A 61 -5.019 -0.013 -9.934 1.00 0.00 O ATOM 886 CB TYR A 61 -4.720 -1.189 -6.933 1.00 0.00 C ATOM 887 CG TYR A 61 -4.535 -2.423 -7.818 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.545 -2.817 -8.671 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.359 -3.142 -7.762 1.00 0.00 C ATOM 890 CE1 TYR A 61 -5.372 -3.979 -9.504 1.00 0.00 C ATOM 891 CE2 TYR A 61 -3.185 -4.304 -8.595 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.200 -4.665 -9.425 1.00 0.00 C ATOM 893 OH TYR A 61 -4.036 -5.762 -10.211 1.00 0.00 O ATOM 0 H TYR A 61 -4.902 0.837 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.357 0.140 -8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.098 -1.296 -6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.755 -1.149 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.466 -2.254 -8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.569 -2.834 -7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.155 -4.298 -10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.269 -4.876 -8.561 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.151 -6.151 -10.050 1.00 0.00 H new ATOM 902 N ARG A 62 -6.480 0.926 -8.484 1.00 0.00 N ATOM 903 CA ARG A 62 -7.486 1.191 -9.499 1.00 0.00 C ATOM 904 C ARG A 62 -7.082 2.402 -10.343 1.00 0.00 C ATOM 905 O ARG A 62 -7.072 2.330 -11.571 1.00 0.00 O ATOM 906 CB ARG A 62 -8.853 1.455 -8.863 1.00 0.00 C ATOM 907 CG ARG A 62 -9.637 0.153 -8.689 1.00 0.00 C ATOM 908 CD ARG A 62 -11.020 0.256 -9.336 1.00 0.00 C ATOM 909 NE ARG A 62 -10.885 0.583 -10.773 1.00 0.00 N ATOM 910 CZ ARG A 62 -11.911 0.634 -11.632 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.156 0.380 -11.205 1.00 0.00 N ATOM 912 NH2 ARG A 62 -11.694 0.939 -12.919 1.00 0.00 N ATOM 0 H ARG A 62 -6.736 1.221 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.557 0.308 -10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.720 1.936 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.421 2.145 -9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.083 -0.672 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.744 -0.073 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.557 -0.685 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.609 1.024 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.951 0.782 -11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.322 0.148 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.937 0.419 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.747 1.132 -13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.476 0.978 -13.573 1.00 0.00 H new ATOM 923 N ARG A 63 -6.760 3.485 -9.652 1.00 0.00 N ATOM 924 CA ARG A 63 -6.357 4.709 -10.323 1.00 0.00 C ATOM 925 C ARG A 63 -5.200 4.430 -11.284 1.00 0.00 C ATOM 926 O ARG A 63 -4.996 5.169 -12.247 1.00 0.00 O ATOM 927 CB ARG A 63 -5.926 5.774 -9.313 1.00 0.00 C ATOM 928 CG ARG A 63 -7.141 6.440 -8.666 1.00 0.00 C ATOM 929 CD ARG A 63 -6.720 7.629 -7.800 1.00 0.00 C ATOM 930 NE ARG A 63 -7.916 8.362 -7.329 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.870 9.492 -6.609 1.00 0.00 C ATOM 932 NH1 ARG A 63 -6.688 10.024 -6.272 1.00 0.00 N ATOM 933 NH2 ARG A 63 -9.007 10.088 -6.225 1.00 0.00 N ATOM 0 H ARG A 63 -6.770 3.541 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.217 5.080 -10.881 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.303 5.319 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.316 6.528 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.831 6.776 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.676 5.713 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.138 7.280 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.077 8.297 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.833 7.984 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.823 9.569 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.653 10.884 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.907 9.682 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.972 10.948 -5.677 1.00 0.00 H new ATOM 944 N ARG A 64 -4.473 3.362 -10.991 1.00 0.00 N ATOM 945 CA ARG A 64 -3.342 2.976 -11.818 1.00 0.00 C ATOM 946 C ARG A 64 -3.821 2.545 -13.206 1.00 0.00 C ATOM 947 O ARG A 64 -3.063 2.596 -14.173 1.00 0.00 O ATOM 948 CB ARG A 64 -2.557 1.830 -11.178 1.00 0.00 C ATOM 949 CG ARG A 64 -1.597 2.353 -10.109 1.00 0.00 C ATOM 950 CD ARG A 64 -0.233 1.669 -10.214 1.00 0.00 C ATOM 951 NE ARG A 64 0.496 2.176 -11.399 1.00 0.00 N ATOM 952 CZ ARG A 64 0.553 1.538 -12.575 1.00 0.00 C ATOM 953 NH1 ARG A 64 -0.075 0.366 -12.733 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.239 2.073 -13.595 1.00 0.00 N ATOM 0 H ARG A 64 -4.645 2.752 -10.192 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.687 3.843 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.249 1.115 -10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.997 1.296 -11.945 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.477 3.431 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.020 2.179 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.348 1.857 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.363 0.589 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 64 0.985 3.067 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.597 -0.041 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.031 -0.119 -13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.717 2.966 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.283 1.587 -14.491 1.00 0.00 H new ATOM 965 N PHE A 65 -5.079 2.131 -13.259 1.00 0.00 N ATOM 966 CA PHE A 65 -5.669 1.691 -14.513 1.00 0.00 C ATOM 967 C PHE A 65 -5.712 2.834 -15.529 1.00 0.00 C ATOM 968 O PHE A 65 -5.495 2.619 -16.721 1.00 0.00 O ATOM 969 CB PHE A 65 -7.099 1.247 -14.202 1.00 0.00 C ATOM 970 CG PHE A 65 -8.119 2.388 -14.195 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.786 3.593 -13.662 1.00 0.00 C ATOM 972 CD2 PHE A 65 -9.357 2.196 -14.722 1.00 0.00 C ATOM 973 CE1 PHE A 65 -8.731 4.652 -13.656 1.00 0.00 C ATOM 974 CE2 PHE A 65 -10.303 3.255 -14.717 1.00 0.00 C ATOM 975 CZ PHE A 65 -9.970 4.461 -14.184 1.00 0.00 C ATOM 0 H PHE A 65 -5.705 2.091 -12.455 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.076 0.883 -14.941 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.406 0.504 -14.938 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.112 0.756 -13.229 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.802 3.745 -13.243 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.621 1.238 -15.145 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.466 5.609 -13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.287 3.103 -15.136 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.689 5.267 -14.180 1.00 0.00 H new TER 984 PHE A 65