USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 1.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 8 MET CE :methyl -107:sc= -7.35! (180deg=-10.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -99:sc= -0.197 (180deg=-0.762) USER MOD Single : A 16 TYR OH : rot 120:sc= 0 USER MOD Single : A 19 SER OG : rot 63:sc= -1.36 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.29) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -7.59! C(o=-7.6!,f=-9.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 77:sc= 0.672 USER MOD Single : A 54 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8!) USER MOD Single : A 55 SER OG : rot 68:sc= 0.418 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -13.8! C(o=-17!,f=-14!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.501 -13.065 -1.258 1.00 0.00 N ATOM 2 CA ARG A 1 6.399 -12.026 -0.784 1.00 0.00 C ATOM 3 C ARG A 1 6.736 -11.057 -1.921 1.00 0.00 C ATOM 4 O ARG A 1 6.370 -9.884 -1.870 1.00 0.00 O ATOM 5 CB ARG A 1 7.694 -12.625 -0.234 1.00 0.00 C ATOM 6 CG ARG A 1 8.660 -11.527 0.213 1.00 0.00 C ATOM 7 CD ARG A 1 8.191 -10.883 1.519 1.00 0.00 C ATOM 8 NE ARG A 1 8.743 -11.625 2.675 1.00 0.00 N ATOM 9 CZ ARG A 1 8.647 -11.213 3.947 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.019 -10.064 4.233 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.177 -11.950 4.932 1.00 0.00 N ATOM 0 H1 ARG A 1 5.280 -13.716 -0.477 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.622 -12.632 -1.607 1.00 0.00 H new ATOM 0 H3 ARG A 1 5.957 -13.592 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 1 5.891 -11.490 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.467 -13.279 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.167 -13.241 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.657 -11.947 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.737 -10.767 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.513 -9.842 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.102 -10.882 1.563 1.00 0.00 H new ATOM 0 HE ARG A 1 9.226 -12.504 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.614 -9.504 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.946 -9.750 5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.654 -12.825 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.104 -11.636 5.900 1.00 0.00 H new ATOM 25 N SER A 2 7.430 -11.585 -2.918 1.00 0.00 N ATOM 26 CA SER A 2 7.820 -10.782 -4.065 1.00 0.00 C ATOM 27 C SER A 2 6.734 -10.844 -5.141 1.00 0.00 C ATOM 28 O SER A 2 7.035 -11.004 -6.323 1.00 0.00 O ATOM 29 CB SER A 2 9.160 -11.250 -4.635 1.00 0.00 C ATOM 30 OG SER A 2 9.426 -10.677 -5.912 1.00 0.00 O ATOM 0 H SER A 2 7.732 -12.558 -2.956 1.00 0.00 H new ATOM 0 HA SER A 2 7.937 -9.750 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.960 -10.984 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.159 -12.337 -4.718 1.00 0.00 H new ATOM 0 HG SER A 2 8.694 -10.893 -6.527 1.00 0.00 H new ATOM 36 N ALA A 3 5.494 -10.715 -4.694 1.00 0.00 N ATOM 37 CA ALA A 3 4.362 -10.754 -5.605 1.00 0.00 C ATOM 38 C ALA A 3 3.204 -9.952 -5.008 1.00 0.00 C ATOM 39 O ALA A 3 2.598 -10.369 -4.021 1.00 0.00 O ATOM 40 CB ALA A 3 3.981 -12.210 -5.882 1.00 0.00 C ATOM 0 H ALA A 3 5.248 -10.583 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 3 4.621 -10.297 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.132 -12.240 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.828 -12.728 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.711 -12.700 -4.946 1.00 0.00 H new ATOM 46 N LEU A 4 2.932 -8.814 -5.630 1.00 0.00 N ATOM 47 CA LEU A 4 1.858 -7.949 -5.173 1.00 0.00 C ATOM 48 C LEU A 4 2.308 -7.206 -3.914 1.00 0.00 C ATOM 49 O LEU A 4 2.318 -5.975 -3.886 1.00 0.00 O ATOM 50 CB LEU A 4 0.568 -8.750 -4.985 1.00 0.00 C ATOM 51 CG LEU A 4 -0.580 -8.406 -5.936 1.00 0.00 C ATOM 52 CD1 LEU A 4 -1.577 -9.562 -6.031 1.00 0.00 C ATOM 53 CD2 LEU A 4 -1.257 -7.097 -5.527 1.00 0.00 C ATOM 0 H LEU A 4 3.437 -8.471 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 4 1.631 -7.194 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.802 -9.809 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.221 -8.607 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.165 -8.256 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.383 -9.292 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.069 -10.451 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.991 -9.768 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.069 -6.876 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.657 -7.194 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.528 -6.287 -5.552 1.00 0.00 H new ATOM 65 N SER A 5 2.672 -7.982 -2.904 1.00 0.00 N ATOM 66 CA SER A 5 3.123 -7.413 -1.646 1.00 0.00 C ATOM 67 C SER A 5 3.877 -6.106 -1.904 1.00 0.00 C ATOM 68 O SER A 5 3.532 -5.066 -1.346 1.00 0.00 O ATOM 69 CB SER A 5 4.012 -8.396 -0.883 1.00 0.00 C ATOM 70 OG SER A 5 3.860 -8.270 0.529 1.00 0.00 O ATOM 0 H SER A 5 2.664 -9.002 -2.932 1.00 0.00 H new ATOM 0 HA SER A 5 2.247 -7.206 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.768 -9.415 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.054 -8.226 -1.152 1.00 0.00 H new ATOM 0 HG SER A 5 4.443 -8.916 0.980 1.00 0.00 H new ATOM 76 N CYS A 6 4.892 -6.203 -2.750 1.00 0.00 N ATOM 77 CA CYS A 6 5.697 -5.042 -3.088 1.00 0.00 C ATOM 78 C CYS A 6 4.776 -3.976 -3.686 1.00 0.00 C ATOM 79 O CYS A 6 4.549 -2.933 -3.075 1.00 0.00 O ATOM 80 CB CYS A 6 6.842 -5.404 -4.035 1.00 0.00 C ATOM 81 SG CYS A 6 8.038 -4.054 -4.346 1.00 0.00 S ATOM 0 H CYS A 6 5.175 -7.068 -3.211 1.00 0.00 H new ATOM 0 HA CYS A 6 6.169 -4.649 -2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.379 -6.258 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.420 -5.723 -4.988 1.00 0.00 H new ATOM 86 N GLN A 7 4.272 -4.275 -4.874 1.00 0.00 N ATOM 87 CA GLN A 7 3.381 -3.356 -5.562 1.00 0.00 C ATOM 88 C GLN A 7 2.449 -2.671 -4.561 1.00 0.00 C ATOM 89 O GLN A 7 2.353 -1.446 -4.535 1.00 0.00 O ATOM 90 CB GLN A 7 2.584 -4.077 -6.650 1.00 0.00 C ATOM 91 CG GLN A 7 2.648 -3.313 -7.975 1.00 0.00 C ATOM 92 CD GLN A 7 3.901 -3.695 -8.767 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.006 -3.272 -8.472 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.666 -4.517 -9.785 1.00 0.00 N ATOM 0 H GLN A 7 4.464 -5.141 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 7 3.985 -2.590 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.978 -5.084 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.545 -4.181 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.759 -3.529 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.649 -2.240 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.715 -4.833 -9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.436 -4.832 -10.375 1.00 0.00 H new ATOM 103 N MET A 8 1.786 -3.493 -3.760 1.00 0.00 N ATOM 104 CA MET A 8 0.864 -2.983 -2.760 1.00 0.00 C ATOM 105 C MET A 8 1.487 -1.819 -1.984 1.00 0.00 C ATOM 106 O MET A 8 0.805 -0.849 -1.659 1.00 0.00 O ATOM 107 CB MET A 8 0.493 -4.104 -1.788 1.00 0.00 C ATOM 108 CG MET A 8 -0.247 -5.232 -2.510 1.00 0.00 C ATOM 109 SD MET A 8 -1.540 -5.880 -1.465 1.00 0.00 S ATOM 110 CE MET A 8 -1.931 -7.381 -2.349 1.00 0.00 C ATOM 0 H MET A 8 1.870 -4.509 -3.784 1.00 0.00 H new ATOM 0 HA MET A 8 -0.030 -2.621 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.395 -4.497 -1.319 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.133 -3.706 -0.990 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.673 -4.860 -3.442 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.452 -6.026 -2.773 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.891 -7.267 -2.853 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.155 -7.581 -3.088 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.986 -8.213 -1.647 1.00 0.00 H new ATOM 120 N CYS A 9 2.776 -1.957 -1.709 1.00 0.00 N ATOM 121 CA CYS A 9 3.498 -0.930 -0.977 1.00 0.00 C ATOM 122 C CYS A 9 3.610 0.307 -1.870 1.00 0.00 C ATOM 123 O CYS A 9 3.536 1.435 -1.386 1.00 0.00 O ATOM 124 CB CYS A 9 4.870 -1.424 -0.514 1.00 0.00 C ATOM 125 SG CYS A 9 6.224 -1.173 -1.718 1.00 0.00 S ATOM 0 H CYS A 9 3.339 -2.764 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 9 2.951 -0.675 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.129 -0.915 0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.799 -2.487 -0.285 1.00 0.00 H new ATOM 130 N GLU A 10 3.786 0.054 -3.159 1.00 0.00 N ATOM 131 CA GLU A 10 3.909 1.133 -4.124 1.00 0.00 C ATOM 132 C GLU A 10 2.542 1.769 -4.386 1.00 0.00 C ATOM 133 O GLU A 10 2.440 2.750 -5.122 1.00 0.00 O ATOM 134 CB GLU A 10 4.540 0.637 -5.426 1.00 0.00 C ATOM 135 CG GLU A 10 6.039 0.947 -5.461 1.00 0.00 C ATOM 136 CD GLU A 10 6.422 1.646 -6.768 1.00 0.00 C ATOM 137 OE1 GLU A 10 5.991 1.143 -7.828 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.138 2.667 -6.676 1.00 0.00 O ATOM 0 H GLU A 10 3.846 -0.883 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 10 4.569 1.893 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.385 -0.437 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.047 1.109 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.303 1.580 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.608 0.023 -5.358 1.00 0.00 H new ATOM 146 N LEU A 11 1.525 1.185 -3.769 1.00 0.00 N ATOM 147 CA LEU A 11 0.169 1.682 -3.926 1.00 0.00 C ATOM 148 C LEU A 11 -0.157 2.635 -2.774 1.00 0.00 C ATOM 149 O LEU A 11 -0.764 3.685 -2.984 1.00 0.00 O ATOM 150 CB LEU A 11 -0.816 0.519 -4.059 1.00 0.00 C ATOM 151 CG LEU A 11 -2.300 0.890 -4.027 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.637 1.897 -5.127 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.179 -0.360 -4.105 1.00 0.00 C ATOM 0 H LEU A 11 1.613 0.372 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 11 0.078 2.254 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.611 0.001 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.622 -0.190 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.511 1.373 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.698 2.144 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.047 2.803 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.406 1.464 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.229 -0.069 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.972 -0.893 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.963 -1.010 -3.257 1.00 0.00 H new ATOM 165 N VAL A 12 0.261 2.236 -1.582 1.00 0.00 N ATOM 166 CA VAL A 12 0.020 3.041 -0.396 1.00 0.00 C ATOM 167 C VAL A 12 0.890 4.298 -0.453 1.00 0.00 C ATOM 168 O VAL A 12 0.427 5.393 -0.141 1.00 0.00 O ATOM 169 CB VAL A 12 0.261 2.204 0.862 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.562 0.915 0.828 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.750 1.901 1.043 1.00 0.00 C ATOM 0 H VAL A 12 0.765 1.366 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.020 3.366 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.068 2.788 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.373 0.338 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.622 1.162 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.279 0.325 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.893 1.305 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.116 1.346 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.303 2.836 1.135 1.00 0.00 H new ATOM 181 N VAL A 13 2.137 4.097 -0.856 1.00 0.00 N ATOM 182 CA VAL A 13 3.077 5.201 -0.957 1.00 0.00 C ATOM 183 C VAL A 13 2.610 6.162 -2.053 1.00 0.00 C ATOM 184 O VAL A 13 2.355 7.336 -1.786 1.00 0.00 O ATOM 185 CB VAL A 13 4.491 4.664 -1.196 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.949 3.792 -0.027 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.570 3.899 -2.517 1.00 0.00 C ATOM 0 H VAL A 13 2.518 3.187 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 13 3.110 5.762 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 13 5.168 5.516 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.956 3.423 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.949 4.383 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.269 2.948 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.585 3.528 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.876 3.058 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.305 4.564 -3.339 1.00 0.00 H new ATOM 197 N LYS A 14 2.513 5.630 -3.262 1.00 0.00 N ATOM 198 CA LYS A 14 2.081 6.425 -4.398 1.00 0.00 C ATOM 199 C LYS A 14 0.843 7.235 -4.008 1.00 0.00 C ATOM 200 O LYS A 14 0.609 8.316 -4.545 1.00 0.00 O ATOM 201 CB LYS A 14 1.873 5.538 -5.627 1.00 0.00 C ATOM 202 CG LYS A 14 0.523 4.819 -5.562 1.00 0.00 C ATOM 203 CD LYS A 14 0.268 4.017 -6.839 1.00 0.00 C ATOM 204 CE LYS A 14 -1.191 4.143 -7.282 1.00 0.00 C ATOM 205 NZ LYS A 14 -1.268 4.556 -8.702 1.00 0.00 N ATOM 0 H LYS A 14 2.727 4.657 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 14 2.855 7.140 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.923 6.145 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.677 4.805 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.503 4.153 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.275 5.548 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.925 4.372 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.511 2.968 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.702 3.190 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.705 4.873 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.265 4.637 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.798 5.476 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.795 3.846 -9.296 1.00 0.00 H new ATOM 219 N LYS A 15 0.083 6.680 -3.075 1.00 0.00 N ATOM 220 CA LYS A 15 -1.126 7.336 -2.606 1.00 0.00 C ATOM 221 C LYS A 15 -0.757 8.382 -1.551 1.00 0.00 C ATOM 222 O LYS A 15 -1.328 9.471 -1.525 1.00 0.00 O ATOM 223 CB LYS A 15 -2.143 6.302 -2.118 1.00 0.00 C ATOM 224 CG LYS A 15 -2.807 5.589 -3.297 1.00 0.00 C ATOM 225 CD LYS A 15 -3.683 6.553 -4.099 1.00 0.00 C ATOM 226 CE LYS A 15 -3.006 6.946 -5.413 1.00 0.00 C ATOM 227 NZ LYS A 15 -2.971 8.418 -5.558 1.00 0.00 N ATOM 0 H LYS A 15 0.281 5.783 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.614 7.866 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.647 5.572 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.903 6.793 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.042 5.162 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.413 4.760 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.646 6.087 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.883 7.446 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.992 6.548 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.544 6.505 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.749 8.725 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.076 8.862 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.063 8.704 -5.977 1.00 0.00 H new ATOM 241 N TYR A 16 0.195 8.013 -0.707 1.00 0.00 N ATOM 242 CA TYR A 16 0.648 8.905 0.347 1.00 0.00 C ATOM 243 C TYR A 16 1.546 10.008 -0.216 1.00 0.00 C ATOM 244 O TYR A 16 1.186 11.184 -0.181 1.00 0.00 O ATOM 245 CB TYR A 16 1.464 8.040 1.309 1.00 0.00 C ATOM 246 CG TYR A 16 2.003 8.799 2.524 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.647 10.118 2.726 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.843 8.167 3.417 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.154 10.833 3.870 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.350 8.882 4.560 1.00 0.00 C ATOM 251 CZ TYR A 16 2.980 10.179 4.730 1.00 0.00 C ATOM 252 OH TYR A 16 3.459 10.853 5.809 1.00 0.00 O ATOM 0 H TYR A 16 0.665 7.108 -0.731 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.200 9.386 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.842 7.215 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.302 7.602 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.989 10.613 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.121 7.135 3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.884 11.865 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.009 8.399 5.266 1.00 0.00 H new ATOM 0 HH TYR A 16 3.171 10.402 6.630 1.00 0.00 H new ATOM 262 N GLU A 17 2.696 9.591 -0.722 1.00 0.00 N ATOM 263 CA GLU A 17 3.648 10.529 -1.291 1.00 0.00 C ATOM 264 C GLU A 17 2.932 11.515 -2.216 1.00 0.00 C ATOM 265 O GLU A 17 3.239 12.706 -2.217 1.00 0.00 O ATOM 266 CB GLU A 17 4.765 9.794 -2.034 1.00 0.00 C ATOM 267 CG GLU A 17 5.679 9.052 -1.055 1.00 0.00 C ATOM 268 CD GLU A 17 6.406 10.034 -0.133 1.00 0.00 C ATOM 269 OE1 GLU A 17 7.505 10.478 -0.531 1.00 0.00 O ATOM 270 OE2 GLU A 17 5.846 10.319 0.948 1.00 0.00 O ATOM 0 H GLU A 17 2.991 8.615 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 17 4.106 11.090 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.332 9.086 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.350 10.507 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.090 8.355 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.408 8.460 -1.609 1.00 0.00 H new ATOM 278 N GLY A 18 1.991 10.983 -2.983 1.00 0.00 N ATOM 279 CA GLY A 18 1.230 11.801 -3.911 1.00 0.00 C ATOM 280 C GLY A 18 -0.248 11.841 -3.521 1.00 0.00 C ATOM 281 O GLY A 18 -1.120 11.591 -4.351 1.00 0.00 O ATOM 0 H GLY A 18 1.739 9.995 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.634 12.813 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.333 11.403 -4.921 1.00 0.00 H new ATOM 285 N SER A 19 -0.485 12.158 -2.256 1.00 0.00 N ATOM 286 CA SER A 19 -1.843 12.234 -1.746 1.00 0.00 C ATOM 287 C SER A 19 -2.336 13.681 -1.782 1.00 0.00 C ATOM 288 O SER A 19 -3.431 13.957 -2.271 1.00 0.00 O ATOM 289 CB SER A 19 -1.929 11.680 -0.322 1.00 0.00 C ATOM 290 OG SER A 19 -3.063 10.837 -0.144 1.00 0.00 O ATOM 0 H SER A 19 0.241 12.365 -1.570 1.00 0.00 H new ATOM 0 HA SER A 19 -2.482 11.623 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.022 11.120 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.978 12.507 0.386 1.00 0.00 H new ATOM 0 HG SER A 19 -2.987 10.058 -0.733 1.00 0.00 H new ATOM 296 N ALA A 20 -1.505 14.569 -1.257 1.00 0.00 N ATOM 297 CA ALA A 20 -1.841 15.982 -1.223 1.00 0.00 C ATOM 298 C ALA A 20 -2.904 16.223 -0.149 1.00 0.00 C ATOM 299 O ALA A 20 -3.403 17.338 -0.004 1.00 0.00 O ATOM 300 CB ALA A 20 -2.303 16.431 -2.611 1.00 0.00 C ATOM 0 H ALA A 20 -0.598 14.337 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.967 16.578 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.555 17.491 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.502 16.266 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.181 15.856 -2.906 1.00 0.00 H new ATOM 306 N ASP A 21 -3.220 15.159 0.574 1.00 0.00 N ATOM 307 CA ASP A 21 -4.215 15.241 1.630 1.00 0.00 C ATOM 308 C ASP A 21 -3.535 15.025 2.983 1.00 0.00 C ATOM 309 O ASP A 21 -4.130 15.280 4.029 1.00 0.00 O ATOM 310 CB ASP A 21 -5.287 14.161 1.462 1.00 0.00 C ATOM 311 CG ASP A 21 -6.711 14.607 1.797 1.00 0.00 C ATOM 312 OD1 ASP A 21 -7.128 15.643 1.236 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.351 13.902 2.606 1.00 0.00 O ATOM 0 H ASP A 21 -2.805 14.236 0.450 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.682 16.224 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.266 13.807 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.029 13.313 2.096 1.00 0.00 H new ATOM 319 N LYS A 22 -2.298 14.556 2.920 1.00 0.00 N ATOM 320 CA LYS A 22 -1.531 14.302 4.127 1.00 0.00 C ATOM 321 C LYS A 22 -2.399 13.537 5.127 1.00 0.00 C ATOM 322 O LYS A 22 -2.365 13.815 6.325 1.00 0.00 O ATOM 323 CB LYS A 22 -0.959 15.609 4.683 1.00 0.00 C ATOM 324 CG LYS A 22 -0.378 16.474 3.563 1.00 0.00 C ATOM 325 CD LYS A 22 0.854 15.812 2.942 1.00 0.00 C ATOM 326 CE LYS A 22 2.132 16.552 3.340 1.00 0.00 C ATOM 327 NZ LYS A 22 3.231 15.591 3.591 1.00 0.00 N ATOM 0 H LYS A 22 -1.807 14.345 2.051 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.670 13.672 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.742 16.160 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.183 15.388 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.134 16.637 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.109 17.454 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.915 14.773 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.758 15.802 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.420 17.244 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.951 17.148 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.091 16.110 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.960 14.947 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.415 15.040 2.728 1.00 0.00 H new ATOM 341 N ASP A 23 -3.157 12.587 4.598 1.00 0.00 N ATOM 342 CA ASP A 23 -4.033 11.780 5.429 1.00 0.00 C ATOM 343 C ASP A 23 -3.766 10.298 5.156 1.00 0.00 C ATOM 344 O ASP A 23 -4.016 9.812 4.054 1.00 0.00 O ATOM 345 CB ASP A 23 -5.504 12.060 5.116 1.00 0.00 C ATOM 346 CG ASP A 23 -6.206 13.003 6.095 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.673 13.157 7.215 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.259 13.549 5.702 1.00 0.00 O ATOM 0 H ASP A 23 -3.182 12.359 3.604 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.832 12.030 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.572 12.484 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.043 11.113 5.098 1.00 0.00 H new ATOM 354 N ALA A 24 -3.262 9.622 6.177 1.00 0.00 N ATOM 355 CA ALA A 24 -2.958 8.206 6.060 1.00 0.00 C ATOM 356 C ALA A 24 -4.264 7.410 6.015 1.00 0.00 C ATOM 357 O ALA A 24 -4.249 6.196 5.818 1.00 0.00 O ATOM 358 CB ALA A 24 -2.055 7.780 7.219 1.00 0.00 C ATOM 0 H ALA A 24 -3.056 10.028 7.090 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.418 8.005 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.827 6.718 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.129 8.354 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.565 7.965 8.164 1.00 0.00 H new ATOM 364 N ASN A 25 -5.362 8.126 6.203 1.00 0.00 N ATOM 365 CA ASN A 25 -6.675 7.503 6.185 1.00 0.00 C ATOM 366 C ASN A 25 -7.184 7.433 4.745 1.00 0.00 C ATOM 367 O ASN A 25 -7.591 6.370 4.278 1.00 0.00 O ATOM 368 CB ASN A 25 -7.681 8.315 7.003 1.00 0.00 C ATOM 369 CG ASN A 25 -8.424 7.424 8.001 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.842 6.607 8.695 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.738 7.627 8.034 1.00 0.00 N ATOM 0 H ASN A 25 -5.370 9.132 6.369 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.580 6.506 6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.162 9.111 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.397 8.793 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.322 7.082 8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.161 8.328 7.425 1.00 0.00 H new ATOM 378 N VAL A 26 -7.143 8.579 4.080 1.00 0.00 N ATOM 379 CA VAL A 26 -7.595 8.661 2.701 1.00 0.00 C ATOM 380 C VAL A 26 -6.532 8.055 1.785 1.00 0.00 C ATOM 381 O VAL A 26 -6.784 7.824 0.603 1.00 0.00 O ATOM 382 CB VAL A 26 -7.935 10.110 2.348 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.960 10.171 1.213 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.433 10.872 3.578 1.00 0.00 C ATOM 0 H VAL A 26 -6.804 9.458 4.471 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.510 8.084 2.563 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.022 10.594 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.185 11.212 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.553 9.682 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.874 9.662 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.668 11.899 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.329 10.388 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.658 10.872 4.344 1.00 0.00 H new ATOM 394 N ILE A 27 -5.364 7.815 2.362 1.00 0.00 N ATOM 395 CA ILE A 27 -4.260 7.240 1.611 1.00 0.00 C ATOM 396 C ILE A 27 -4.477 5.733 1.468 1.00 0.00 C ATOM 397 O ILE A 27 -4.623 5.226 0.358 1.00 0.00 O ATOM 398 CB ILE A 27 -2.923 7.612 2.256 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.513 9.039 1.884 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.840 6.593 1.895 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.385 9.537 2.789 1.00 0.00 C ATOM 0 H ILE A 27 -5.157 8.008 3.342 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.227 7.654 0.603 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.046 7.584 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.190 9.069 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.373 9.703 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.899 6.880 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.137 5.606 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.711 6.567 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.112 10.553 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.720 9.528 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.518 8.885 2.682 1.00 0.00 H new ATOM 413 N LYS A 28 -4.490 5.059 2.609 1.00 0.00 N ATOM 414 CA LYS A 28 -4.687 3.619 2.625 1.00 0.00 C ATOM 415 C LYS A 28 -6.030 3.285 1.973 1.00 0.00 C ATOM 416 O LYS A 28 -6.173 2.242 1.337 1.00 0.00 O ATOM 417 CB LYS A 28 -4.541 3.074 4.047 1.00 0.00 C ATOM 418 CG LYS A 28 -5.910 2.801 4.673 1.00 0.00 C ATOM 419 CD LYS A 28 -5.763 2.260 6.097 1.00 0.00 C ATOM 420 CE LYS A 28 -4.930 3.208 6.961 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.592 3.435 8.266 1.00 0.00 N ATOM 0 H LYS A 28 -4.367 5.483 3.528 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.915 3.122 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.955 2.155 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.993 3.790 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.497 3.719 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.457 2.083 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.749 2.128 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.291 1.278 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.937 2.788 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.796 4.158 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.014 4.081 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.530 3.856 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.697 2.528 8.764 1.00 0.00 H new ATOM 435 N LYS A 29 -6.981 4.189 2.154 1.00 0.00 N ATOM 436 CA LYS A 29 -8.308 4.002 1.593 1.00 0.00 C ATOM 437 C LYS A 29 -8.216 4.012 0.066 1.00 0.00 C ATOM 438 O LYS A 29 -8.930 3.271 -0.608 1.00 0.00 O ATOM 439 CB LYS A 29 -9.280 5.041 2.156 1.00 0.00 C ATOM 440 CG LYS A 29 -10.057 4.475 3.346 1.00 0.00 C ATOM 441 CD LYS A 29 -10.573 5.599 4.249 1.00 0.00 C ATOM 442 CE LYS A 29 -11.529 6.519 3.486 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.882 5.924 3.425 1.00 0.00 N ATOM 0 H LYS A 29 -6.859 5.053 2.681 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.711 3.032 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.729 5.929 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.976 5.353 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.895 3.878 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.414 3.808 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.084 5.172 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.733 6.178 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.575 7.492 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.153 6.687 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.518 6.561 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.836 5.006 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.244 5.786 4.390 1.00 0.00 H new ATOM 457 N ASP A 30 -7.330 4.860 -0.437 1.00 0.00 N ATOM 458 CA ASP A 30 -7.135 4.975 -1.872 1.00 0.00 C ATOM 459 C ASP A 30 -6.514 3.682 -2.404 1.00 0.00 C ATOM 460 O ASP A 30 -6.936 3.167 -3.438 1.00 0.00 O ATOM 461 CB ASP A 30 -6.186 6.128 -2.208 1.00 0.00 C ATOM 462 CG ASP A 30 -6.636 7.017 -3.369 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.532 6.567 -4.115 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.073 8.127 -3.484 1.00 0.00 O ATOM 0 H ASP A 30 -6.739 5.474 0.124 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.106 5.161 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.064 6.749 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.206 5.715 -2.445 1.00 0.00 H new ATOM 470 N PHE A 31 -5.523 3.195 -1.673 1.00 0.00 N ATOM 471 CA PHE A 31 -4.839 1.971 -2.058 1.00 0.00 C ATOM 472 C PHE A 31 -5.840 0.849 -2.337 1.00 0.00 C ATOM 473 O PHE A 31 -5.744 0.166 -3.356 1.00 0.00 O ATOM 474 CB PHE A 31 -3.951 1.566 -0.881 1.00 0.00 C ATOM 475 CG PHE A 31 -3.585 0.080 -0.860 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.495 -0.839 -0.436 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.352 -0.323 -1.267 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.156 -2.218 -0.417 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.013 -1.702 -1.248 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.922 -2.620 -0.823 1.00 0.00 C ATOM 0 H PHE A 31 -5.176 3.625 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.259 2.138 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.034 2.155 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.461 1.817 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.475 -0.519 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.630 0.406 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.878 -2.947 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.033 -2.022 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.664 -3.669 -0.808 1.00 0.00 H new ATOM 490 N ASP A 32 -6.779 0.694 -1.415 1.00 0.00 N ATOM 491 CA ASP A 32 -7.797 -0.335 -1.549 1.00 0.00 C ATOM 492 C ASP A 32 -8.833 0.112 -2.582 1.00 0.00 C ATOM 493 O ASP A 32 -9.614 -0.701 -3.076 1.00 0.00 O ATOM 494 CB ASP A 32 -8.522 -0.568 -0.222 1.00 0.00 C ATOM 495 CG ASP A 32 -9.605 -1.648 -0.258 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.377 -2.656 -0.963 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.635 -1.443 0.420 1.00 0.00 O ATOM 0 H ASP A 32 -6.856 1.263 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.306 -1.258 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.785 -0.838 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.976 0.370 0.096 1.00 0.00 H new ATOM 503 N ALA A 33 -8.808 1.404 -2.879 1.00 0.00 N ATOM 504 CA ALA A 33 -9.736 1.968 -3.844 1.00 0.00 C ATOM 505 C ALA A 33 -9.365 1.479 -5.246 1.00 0.00 C ATOM 506 O ALA A 33 -10.066 0.650 -5.824 1.00 0.00 O ATOM 507 CB ALA A 33 -9.721 3.493 -3.735 1.00 0.00 C ATOM 0 H ALA A 33 -8.160 2.076 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.754 1.637 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.417 3.916 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.019 3.789 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.716 3.862 -3.939 1.00 0.00 H new ATOM 513 N GLU A 34 -8.264 2.015 -5.753 1.00 0.00 N ATOM 514 CA GLU A 34 -7.793 1.645 -7.076 1.00 0.00 C ATOM 515 C GLU A 34 -7.611 0.129 -7.170 1.00 0.00 C ATOM 516 O GLU A 34 -8.147 -0.509 -8.075 1.00 0.00 O ATOM 517 CB GLU A 34 -6.492 2.376 -7.418 1.00 0.00 C ATOM 518 CG GLU A 34 -5.548 2.408 -6.214 1.00 0.00 C ATOM 519 CD GLU A 34 -5.193 3.848 -5.837 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.081 4.523 -5.274 1.00 0.00 O ATOM 521 OE2 GLU A 34 -4.041 4.241 -6.120 1.00 0.00 O ATOM 0 H GLU A 34 -7.685 2.703 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.544 1.947 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.002 1.880 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.716 3.394 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.018 1.911 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.638 1.853 -6.445 1.00 0.00 H new ATOM 529 N CYS A 35 -6.854 -0.404 -6.223 1.00 0.00 N ATOM 530 CA CYS A 35 -6.595 -1.833 -6.187 1.00 0.00 C ATOM 531 C CYS A 35 -7.903 -2.566 -6.493 1.00 0.00 C ATOM 532 O CYS A 35 -7.949 -3.421 -7.375 1.00 0.00 O ATOM 533 CB CYS A 35 -5.998 -2.267 -4.847 1.00 0.00 C ATOM 534 SG CYS A 35 -5.914 -4.078 -4.594 1.00 0.00 S ATOM 0 H CYS A 35 -6.411 0.128 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.851 -2.089 -6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.992 -1.856 -4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.589 -1.829 -4.043 1.00 0.00 H new ATOM 539 N LYS A 36 -8.935 -2.203 -5.745 1.00 0.00 N ATOM 540 CA LYS A 36 -10.241 -2.815 -5.925 1.00 0.00 C ATOM 541 C LYS A 36 -10.552 -2.915 -7.420 1.00 0.00 C ATOM 542 O LYS A 36 -11.061 -3.933 -7.886 1.00 0.00 O ATOM 543 CB LYS A 36 -11.303 -2.058 -5.125 1.00 0.00 C ATOM 544 CG LYS A 36 -11.723 -2.850 -3.884 1.00 0.00 C ATOM 545 CD LYS A 36 -13.145 -3.392 -4.036 1.00 0.00 C ATOM 546 CE LYS A 36 -13.262 -4.290 -5.270 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.558 -4.072 -5.949 1.00 0.00 N ATOM 0 H LYS A 36 -8.893 -1.493 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.242 -3.831 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.913 -1.085 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.174 -1.872 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.030 -3.676 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.666 -2.210 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.420 -3.956 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.847 -2.562 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.444 -4.080 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.170 -5.336 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.621 -4.689 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.335 -4.295 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.631 -3.078 -6.247 1.00 0.00 H new ATOM 561 N LYS A 37 -10.232 -1.842 -8.130 1.00 0.00 N ATOM 562 CA LYS A 37 -10.471 -1.795 -9.563 1.00 0.00 C ATOM 563 C LYS A 37 -9.184 -2.164 -10.302 1.00 0.00 C ATOM 564 O LYS A 37 -9.083 -3.247 -10.878 1.00 0.00 O ATOM 565 CB LYS A 37 -11.044 -0.436 -9.966 1.00 0.00 C ATOM 566 CG LYS A 37 -11.138 -0.310 -11.488 1.00 0.00 C ATOM 567 CD LYS A 37 -11.025 1.152 -11.925 1.00 0.00 C ATOM 568 CE LYS A 37 -9.561 1.566 -12.082 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.061 1.204 -13.427 1.00 0.00 N ATOM 0 H LYS A 37 -9.810 -0.999 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.224 -2.529 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.033 -0.309 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.414 0.360 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.345 -0.895 -11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.085 -0.724 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.550 1.295 -12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.511 1.794 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.462 2.641 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.955 1.078 -11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.066 1.492 -13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.137 0.175 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.628 1.690 -14.151 1.00 0.00 H new ATOM 583 N LEU A 38 -8.231 -1.244 -10.262 1.00 0.00 N ATOM 584 CA LEU A 38 -6.955 -1.459 -10.921 1.00 0.00 C ATOM 585 C LEU A 38 -6.535 -2.920 -10.747 1.00 0.00 C ATOM 586 O LEU A 38 -6.011 -3.534 -11.675 1.00 0.00 O ATOM 587 CB LEU A 38 -5.916 -0.456 -10.417 1.00 0.00 C ATOM 588 CG LEU A 38 -4.787 -1.032 -9.561 1.00 0.00 C ATOM 589 CD1 LEU A 38 -3.580 -1.406 -10.424 1.00 0.00 C ATOM 590 CD2 LEU A 38 -4.409 -0.070 -8.433 1.00 0.00 C ATOM 0 H LEU A 38 -8.318 -0.348 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.045 -1.279 -11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.473 0.042 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.431 0.309 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.146 -1.950 -9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.792 -1.813 -9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.876 -2.154 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.211 -0.518 -10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.604 -0.504 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.077 0.877 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.277 0.103 -7.796 1.00 0.00 H new ATOM 602 N PHE A 39 -6.780 -3.433 -9.550 1.00 0.00 N ATOM 603 CA PHE A 39 -6.434 -4.810 -9.241 1.00 0.00 C ATOM 604 C PHE A 39 -7.682 -5.626 -8.902 1.00 0.00 C ATOM 605 O PHE A 39 -7.669 -6.431 -7.971 1.00 0.00 O ATOM 606 CB PHE A 39 -5.514 -4.776 -8.018 1.00 0.00 C ATOM 607 CG PHE A 39 -4.037 -4.563 -8.357 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.672 -4.211 -9.619 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.089 -4.725 -7.395 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.301 -4.013 -9.933 1.00 0.00 C ATOM 611 CE2 PHE A 39 -1.718 -4.527 -7.710 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.354 -4.175 -8.972 1.00 0.00 C ATOM 0 H PHE A 39 -7.214 -2.920 -8.783 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.952 -5.274 -10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.842 -3.978 -7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.619 -5.713 -7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.425 -4.082 -10.383 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.378 -5.004 -6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.011 -3.734 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.965 -4.656 -6.947 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.312 -4.024 -9.211 1.00 0.00 H new ATOM 622 N HIS A 40 -8.731 -5.392 -9.678 1.00 0.00 N ATOM 623 CA HIS A 40 -9.986 -6.096 -9.471 1.00 0.00 C ATOM 624 C HIS A 40 -9.844 -7.546 -9.941 1.00 0.00 C ATOM 625 O HIS A 40 -10.145 -8.476 -9.194 1.00 0.00 O ATOM 626 CB HIS A 40 -11.140 -5.362 -10.156 1.00 0.00 C ATOM 627 CG HIS A 40 -11.679 -6.066 -11.377 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.310 -7.297 -11.315 1.00 0.00 N ATOM 629 CD2 HIS A 40 -11.674 -5.701 -12.692 1.00 0.00 C ATOM 630 CE1 HIS A 40 -12.664 -7.646 -12.543 1.00 0.00 C ATOM 631 NE2 HIS A 40 -12.269 -6.657 -13.394 1.00 0.00 N ATOM 0 H HIS A 40 -8.738 -4.726 -10.450 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.225 -6.116 -8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.950 -5.231 -9.438 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.804 -4.366 -10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.257 -4.789 -13.093 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.176 -8.555 -12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.408 -6.653 -14.404 1.00 0.00 H new ATOM 640 N THR A 41 -9.385 -7.691 -11.175 1.00 0.00 N ATOM 641 CA THR A 41 -9.201 -9.011 -11.753 1.00 0.00 C ATOM 642 C THR A 41 -8.152 -9.798 -10.963 1.00 0.00 C ATOM 643 O THR A 41 -8.185 -11.027 -10.933 1.00 0.00 O ATOM 644 CB THR A 41 -8.841 -8.835 -13.230 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.812 -7.850 -13.221 1.00 0.00 O ATOM 646 CG2 THR A 41 -9.970 -8.188 -14.034 1.00 0.00 C ATOM 0 H THR A 41 -9.135 -6.917 -11.790 1.00 0.00 H new ATOM 0 HA THR A 41 -10.117 -9.599 -11.694 1.00 0.00 H new ATOM 0 HB THR A 41 -8.597 -9.805 -13.663 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.518 -7.676 -14.139 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.663 -8.086 -15.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.861 -8.813 -13.978 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.191 -7.203 -13.623 1.00 0.00 H new ATOM 654 N ILE A 42 -7.247 -9.056 -10.342 1.00 0.00 N ATOM 655 CA ILE A 42 -6.191 -9.668 -9.553 1.00 0.00 C ATOM 656 C ILE A 42 -6.799 -10.723 -8.627 1.00 0.00 C ATOM 657 O ILE A 42 -7.882 -10.523 -8.079 1.00 0.00 O ATOM 658 CB ILE A 42 -5.381 -8.598 -8.819 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.738 -7.623 -9.807 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.348 -9.234 -7.887 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.417 -8.179 -10.344 1.00 0.00 C ATOM 0 H ILE A 42 -7.223 -8.037 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.481 -10.183 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.064 -8.021 -8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.421 -7.435 -10.635 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.561 -6.666 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.786 -8.451 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.857 -9.854 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.664 -9.851 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.980 -7.467 -11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.728 -8.343 -9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.601 -9.124 -10.855 1.00 0.00 H new ATOM 673 N PRO A 43 -6.056 -11.852 -8.476 1.00 0.00 N ATOM 674 CA PRO A 43 -6.510 -12.939 -7.625 1.00 0.00 C ATOM 675 C PRO A 43 -6.337 -12.585 -6.146 1.00 0.00 C ATOM 676 O PRO A 43 -5.242 -12.703 -5.600 1.00 0.00 O ATOM 677 CB PRO A 43 -5.683 -14.143 -8.049 1.00 0.00 C ATOM 678 CG PRO A 43 -4.481 -13.581 -8.791 1.00 0.00 C ATOM 679 CD PRO A 43 -4.768 -12.123 -9.109 1.00 0.00 C ATOM 0 HA PRO A 43 -7.574 -13.145 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.370 -14.727 -7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.262 -14.809 -8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.581 -13.669 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.301 -14.143 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.988 -11.471 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.812 -11.954 -10.185 1.00 0.00 H new ATOM 687 N PHE A 44 -7.436 -12.161 -5.540 1.00 0.00 N ATOM 688 CA PHE A 44 -7.421 -11.790 -4.136 1.00 0.00 C ATOM 689 C PHE A 44 -6.734 -10.438 -3.932 1.00 0.00 C ATOM 690 O PHE A 44 -6.546 -9.997 -2.800 1.00 0.00 O ATOM 691 CB PHE A 44 -6.624 -12.869 -3.397 1.00 0.00 C ATOM 692 CG PHE A 44 -6.793 -14.274 -3.979 1.00 0.00 C ATOM 693 CD1 PHE A 44 -8.038 -14.771 -4.206 1.00 0.00 C ATOM 694 CD2 PHE A 44 -5.697 -15.025 -4.269 1.00 0.00 C ATOM 695 CE1 PHE A 44 -8.194 -16.075 -4.746 1.00 0.00 C ATOM 696 CE2 PHE A 44 -5.853 -16.329 -4.808 1.00 0.00 C ATOM 697 CZ PHE A 44 -7.098 -16.827 -5.035 1.00 0.00 C ATOM 0 H PHE A 44 -8.343 -12.066 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.442 -11.709 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.567 -12.603 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.930 -12.881 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.908 -14.174 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.708 -14.630 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.183 -16.470 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.983 -16.926 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.216 -17.819 -5.445 1.00 0.00 H new ATOM 707 N GLY A 45 -6.378 -9.817 -5.048 1.00 0.00 N ATOM 708 CA GLY A 45 -5.717 -8.525 -5.008 1.00 0.00 C ATOM 709 C GLY A 45 -6.506 -7.531 -4.152 1.00 0.00 C ATOM 710 O GLY A 45 -5.930 -6.818 -3.334 1.00 0.00 O ATOM 0 H GLY A 45 -6.536 -10.186 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.711 -8.640 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.612 -8.135 -6.020 1.00 0.00 H new ATOM 714 N THR A 46 -7.813 -7.518 -4.372 1.00 0.00 N ATOM 715 CA THR A 46 -8.687 -6.625 -3.632 1.00 0.00 C ATOM 716 C THR A 46 -8.838 -7.103 -2.185 1.00 0.00 C ATOM 717 O THR A 46 -8.859 -6.293 -1.260 1.00 0.00 O ATOM 718 CB THR A 46 -10.017 -6.535 -4.383 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.668 -7.768 -4.087 1.00 0.00 O ATOM 720 CG2 THR A 46 -9.835 -6.565 -5.901 1.00 0.00 C ATOM 0 H THR A 46 -8.287 -8.112 -5.052 1.00 0.00 H new ATOM 0 HA THR A 46 -8.264 -5.622 -3.568 1.00 0.00 H new ATOM 0 HB THR A 46 -10.533 -5.619 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.540 -7.793 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.809 -6.498 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.217 -5.722 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.349 -7.496 -6.191 1.00 0.00 H new ATOM 728 N ARG A 47 -8.939 -8.416 -2.038 1.00 0.00 N ATOM 729 CA ARG A 47 -9.086 -9.010 -0.720 1.00 0.00 C ATOM 730 C ARG A 47 -7.851 -8.720 0.134 1.00 0.00 C ATOM 731 O ARG A 47 -7.957 -8.126 1.206 1.00 0.00 O ATOM 732 CB ARG A 47 -9.286 -10.524 -0.819 1.00 0.00 C ATOM 733 CG ARG A 47 -10.513 -10.861 -1.667 1.00 0.00 C ATOM 734 CD ARG A 47 -11.792 -10.324 -1.020 1.00 0.00 C ATOM 735 NE ARG A 47 -12.746 -11.432 -0.788 1.00 0.00 N ATOM 736 CZ ARG A 47 -13.999 -11.264 -0.347 1.00 0.00 C ATOM 737 NH1 ARG A 47 -14.459 -10.032 -0.087 1.00 0.00 N ATOM 738 NH2 ARG A 47 -14.794 -12.327 -0.164 1.00 0.00 N ATOM 0 H ARG A 47 -8.922 -9.084 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.966 -8.568 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.400 -10.983 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.403 -10.945 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.399 -10.435 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.589 -11.941 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.554 -9.835 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.246 -9.571 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.429 -12.383 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.854 -9.222 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.414 -9.904 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.445 -13.265 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.748 -12.198 0.172 1.00 0.00 H new ATOM 752 N GLU A 48 -6.705 -9.155 -0.371 1.00 0.00 N ATOM 753 CA GLU A 48 -5.451 -8.950 0.333 1.00 0.00 C ATOM 754 C GLU A 48 -5.198 -7.456 0.543 1.00 0.00 C ATOM 755 O GLU A 48 -4.654 -7.053 1.569 1.00 0.00 O ATOM 756 CB GLU A 48 -4.287 -9.603 -0.417 1.00 0.00 C ATOM 757 CG GLU A 48 -3.300 -10.248 0.557 1.00 0.00 C ATOM 758 CD GLU A 48 -2.756 -9.217 1.549 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.991 -8.340 1.093 1.00 0.00 O ATOM 760 OE2 GLU A 48 -3.117 -9.331 2.740 1.00 0.00 O ATOM 0 H GLU A 48 -6.619 -9.649 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.524 -9.427 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.670 -10.357 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.772 -8.854 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.793 -11.055 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.475 -10.695 0.002 1.00 0.00 H new ATOM 768 N CYS A 49 -5.606 -6.675 -0.447 1.00 0.00 N ATOM 769 CA CYS A 49 -5.430 -5.234 -0.384 1.00 0.00 C ATOM 770 C CYS A 49 -6.108 -4.722 0.888 1.00 0.00 C ATOM 771 O CYS A 49 -5.465 -4.094 1.729 1.00 0.00 O ATOM 772 CB CYS A 49 -5.972 -4.542 -1.637 1.00 0.00 C ATOM 773 SG CYS A 49 -4.746 -4.304 -2.974 1.00 0.00 S ATOM 0 H CYS A 49 -6.058 -7.013 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.367 -4.997 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.805 -5.128 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.372 -3.569 -1.353 1.00 0.00 H new ATOM 778 N ASP A 50 -7.397 -5.010 0.990 1.00 0.00 N ATOM 779 CA ASP A 50 -8.169 -4.588 2.147 1.00 0.00 C ATOM 780 C ASP A 50 -7.522 -5.141 3.418 1.00 0.00 C ATOM 781 O ASP A 50 -7.781 -4.651 4.514 1.00 0.00 O ATOM 782 CB ASP A 50 -9.603 -5.119 2.076 1.00 0.00 C ATOM 783 CG ASP A 50 -10.442 -4.885 3.334 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.064 -3.977 4.107 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.441 -5.618 3.494 1.00 0.00 O ATOM 0 H ASP A 50 -7.927 -5.530 0.291 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.188 -3.498 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.106 -4.651 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.568 -6.190 1.874 1.00 0.00 H new ATOM 791 N HIS A 51 -6.691 -6.156 3.226 1.00 0.00 N ATOM 792 CA HIS A 51 -6.004 -6.781 4.343 1.00 0.00 C ATOM 793 C HIS A 51 -4.570 -6.254 4.425 1.00 0.00 C ATOM 794 O HIS A 51 -3.781 -6.714 5.249 1.00 0.00 O ATOM 795 CB HIS A 51 -6.070 -8.306 4.235 1.00 0.00 C ATOM 796 CG HIS A 51 -6.991 -8.953 5.243 1.00 0.00 C ATOM 797 ND1 HIS A 51 -8.356 -8.730 5.261 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.729 -9.820 6.263 1.00 0.00 C ATOM 799 CE1 HIS A 51 -8.882 -9.434 6.253 1.00 0.00 C ATOM 800 NE2 HIS A 51 -7.871 -10.108 6.872 1.00 0.00 N ATOM 0 H HIS A 51 -6.479 -6.560 2.314 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.504 -6.518 5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.400 -8.575 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.067 -8.713 4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.756 -10.206 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.927 -9.468 6.523 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.976 -10.732 7.672 1.00 0.00 H new ATOM 809 N TYR A 52 -4.276 -5.295 3.559 1.00 0.00 N ATOM 810 CA TYR A 52 -2.951 -4.699 3.522 1.00 0.00 C ATOM 811 C TYR A 52 -2.946 -3.331 4.206 1.00 0.00 C ATOM 812 O TYR A 52 -2.005 -2.995 4.924 1.00 0.00 O ATOM 813 CB TYR A 52 -2.612 -4.518 2.042 1.00 0.00 C ATOM 814 CG TYR A 52 -1.129 -4.252 1.772 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.188 -5.213 2.079 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.734 -3.050 1.221 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.207 -4.962 1.826 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.662 -2.798 0.967 1.00 0.00 C ATOM 819 CZ TYR A 52 1.563 -3.767 1.282 1.00 0.00 C ATOM 820 OH TYR A 52 2.881 -3.530 1.042 1.00 0.00 O ATOM 0 H TYR A 52 -4.933 -4.916 2.877 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.231 -5.331 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.915 -5.413 1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.198 -3.689 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.498 -6.154 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.471 -2.298 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.954 -5.705 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.985 -1.862 0.537 1.00 0.00 H new ATOM 0 HH TYR A 52 3.158 -4.012 0.235 1.00 0.00 H new ATOM 830 N VAL A 53 -4.008 -2.578 3.960 1.00 0.00 N ATOM 831 CA VAL A 53 -4.138 -1.253 4.543 1.00 0.00 C ATOM 832 C VAL A 53 -4.528 -1.386 6.017 1.00 0.00 C ATOM 833 O VAL A 53 -5.553 -0.852 6.440 1.00 0.00 O ATOM 834 CB VAL A 53 -5.132 -0.420 3.733 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.830 -0.508 2.236 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.572 -0.845 4.027 1.00 0.00 C ATOM 0 H VAL A 53 -4.787 -2.860 3.365 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.186 -0.723 4.505 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.021 0.621 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.552 0.093 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.824 -0.134 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.899 -1.546 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.258 -0.237 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.702 -1.895 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.783 -0.706 5.087 1.00 0.00 H new ATOM 846 N ASN A 54 -3.692 -2.099 6.755 1.00 0.00 N ATOM 847 CA ASN A 54 -3.938 -2.308 8.172 1.00 0.00 C ATOM 848 C ASN A 54 -2.878 -3.258 8.735 1.00 0.00 C ATOM 849 O ASN A 54 -3.200 -4.178 9.485 1.00 0.00 O ATOM 850 CB ASN A 54 -5.312 -2.941 8.406 1.00 0.00 C ATOM 851 CG ASN A 54 -5.859 -2.571 9.786 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.245 -1.844 10.551 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.043 -3.109 10.062 1.00 0.00 N ATOM 0 H ASN A 54 -2.844 -2.540 6.399 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.899 -1.338 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.006 -2.607 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.236 -4.025 8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.492 -2.922 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.503 -3.709 9.377 1.00 0.00 H new ATOM 860 N SER A 55 -1.637 -3.002 8.350 1.00 0.00 N ATOM 861 CA SER A 55 -0.528 -3.823 8.806 1.00 0.00 C ATOM 862 C SER A 55 0.722 -3.522 7.977 1.00 0.00 C ATOM 863 O SER A 55 1.842 -3.647 8.469 1.00 0.00 O ATOM 864 CB SER A 55 -0.873 -5.311 8.724 1.00 0.00 C ATOM 865 OG SER A 55 -1.113 -5.876 10.010 1.00 0.00 O ATOM 0 H SER A 55 -1.374 -2.238 7.727 1.00 0.00 H new ATOM 0 HA SER A 55 -0.331 -3.581 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.756 -5.444 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.056 -5.846 8.240 1.00 0.00 H new ATOM 0 HG SER A 55 -1.941 -5.506 10.381 1.00 0.00 H new ATOM 871 N LYS A 56 0.488 -3.130 6.734 1.00 0.00 N ATOM 872 CA LYS A 56 1.581 -2.809 5.831 1.00 0.00 C ATOM 873 C LYS A 56 1.509 -1.328 5.455 1.00 0.00 C ATOM 874 O LYS A 56 2.398 -0.811 4.780 1.00 0.00 O ATOM 875 CB LYS A 56 1.575 -3.752 4.626 1.00 0.00 C ATOM 876 CG LYS A 56 1.824 -5.198 5.059 1.00 0.00 C ATOM 877 CD LYS A 56 0.595 -6.069 4.794 1.00 0.00 C ATOM 878 CE LYS A 56 0.268 -6.942 6.007 1.00 0.00 C ATOM 879 NZ LYS A 56 0.292 -8.374 5.637 1.00 0.00 N ATOM 0 H LYS A 56 -0.443 -3.027 6.330 1.00 0.00 H new ATOM 0 HA LYS A 56 2.541 -2.966 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.617 -3.683 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.342 -3.444 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.682 -5.600 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.072 -5.226 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.260 -5.435 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.774 -6.701 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.989 -6.754 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.715 -6.678 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.068 -8.952 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.413 -8.552 4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.238 -8.626 5.285 1.00 0.00 H new ATOM 893 N VAL A 57 0.441 -0.688 5.907 1.00 0.00 N ATOM 894 CA VAL A 57 0.241 0.724 5.626 1.00 0.00 C ATOM 895 C VAL A 57 0.760 1.552 6.803 1.00 0.00 C ATOM 896 O VAL A 57 1.525 2.497 6.612 1.00 0.00 O ATOM 897 CB VAL A 57 -1.232 0.991 5.311 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.663 2.365 5.826 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.505 0.858 3.811 1.00 0.00 C ATOM 0 H VAL A 57 -0.295 -1.120 6.466 1.00 0.00 H new ATOM 0 HA VAL A 57 0.808 1.022 4.744 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.826 0.238 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.714 2.529 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.524 2.409 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.059 3.138 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.559 1.053 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.895 1.578 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.255 -0.151 3.484 1.00 0.00 H new ATOM 909 N ASP A 58 0.323 1.169 7.994 1.00 0.00 N ATOM 910 CA ASP A 58 0.734 1.866 9.201 1.00 0.00 C ATOM 911 C ASP A 58 2.258 2.013 9.206 1.00 0.00 C ATOM 912 O ASP A 58 2.780 3.079 9.529 1.00 0.00 O ATOM 913 CB ASP A 58 0.332 1.082 10.452 1.00 0.00 C ATOM 914 CG ASP A 58 -0.407 1.897 11.516 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.715 3.072 11.218 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.647 1.327 12.602 1.00 0.00 O ATOM 0 H ASP A 58 -0.311 0.385 8.149 1.00 0.00 H new ATOM 0 HA ASP A 58 0.245 2.840 9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.300 0.247 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.230 0.657 10.900 1.00 0.00 H new ATOM 922 N PRO A 59 2.945 0.900 8.835 1.00 0.00 N ATOM 923 CA PRO A 59 4.397 0.896 8.794 1.00 0.00 C ATOM 924 C PRO A 59 4.912 1.663 7.574 1.00 0.00 C ATOM 925 O PRO A 59 5.683 2.612 7.713 1.00 0.00 O ATOM 926 CB PRO A 59 4.786 -0.574 8.779 1.00 0.00 C ATOM 927 CG PRO A 59 3.541 -1.330 8.345 1.00 0.00 C ATOM 928 CD PRO A 59 2.359 -0.380 8.446 1.00 0.00 C ATOM 0 HA PRO A 59 4.844 1.404 9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.611 -0.753 8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.117 -0.900 9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.652 -1.694 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.384 -2.203 8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.832 -0.302 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.635 -0.725 9.184 1.00 0.00 H new ATOM 936 N ILE A 60 4.467 1.223 6.406 1.00 0.00 N ATOM 937 CA ILE A 60 4.875 1.856 5.163 1.00 0.00 C ATOM 938 C ILE A 60 4.863 3.376 5.342 1.00 0.00 C ATOM 939 O ILE A 60 5.890 4.032 5.177 1.00 0.00 O ATOM 940 CB ILE A 60 4.006 1.367 4.003 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.487 0.008 3.493 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.944 2.411 2.886 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.589 -0.504 2.364 1.00 0.00 C ATOM 0 H ILE A 60 3.828 0.436 6.294 1.00 0.00 H new ATOM 0 HA ILE A 60 5.896 1.572 4.908 1.00 0.00 H new ATOM 0 HB ILE A 60 2.989 1.230 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.513 0.092 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.492 -0.711 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.320 2.038 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.518 3.336 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.949 2.604 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.953 -1.472 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.568 -0.610 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.605 0.205 1.536 1.00 0.00 H new ATOM 955 N ILE A 61 3.689 3.890 5.679 1.00 0.00 N ATOM 956 CA ILE A 61 3.531 5.320 5.883 1.00 0.00 C ATOM 957 C ILE A 61 4.504 5.788 6.966 1.00 0.00 C ATOM 958 O ILE A 61 4.887 6.957 6.999 1.00 0.00 O ATOM 959 CB ILE A 61 2.068 5.660 6.182 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.137 5.038 5.139 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.870 7.172 6.298 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.059 5.949 4.861 1.00 0.00 C ATOM 0 H ILE A 61 2.839 3.343 5.816 1.00 0.00 H new ATOM 0 HA ILE A 61 3.782 5.864 4.973 1.00 0.00 H new ATOM 0 HB ILE A 61 1.806 5.226 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.687 4.861 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.786 4.068 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.823 7.387 6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.491 7.559 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.155 7.649 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.705 5.484 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.620 6.104 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.295 6.909 4.486 1.00 0.00 H new ATOM 974 N HIS A 62 4.879 4.852 7.826 1.00 0.00 N ATOM 975 CA HIS A 62 5.800 5.153 8.907 1.00 0.00 C ATOM 976 C HIS A 62 7.183 5.465 8.331 1.00 0.00 C ATOM 977 O HIS A 62 8.001 6.111 8.984 1.00 0.00 O ATOM 978 CB HIS A 62 5.827 4.017 9.931 1.00 0.00 C ATOM 979 CG HIS A 62 7.048 3.135 9.838 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.846 2.827 8.775 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.567 2.456 10.926 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 8.802 2.004 9.192 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.630 1.773 10.525 1.00 0.00 N flip ATOM 0 H HIS A 62 4.561 3.883 7.795 1.00 0.00 H new ATOM 0 HA HIS A 62 5.459 6.039 9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.775 4.443 10.933 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.937 3.402 9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.173 2.479 11.931 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.586 1.587 8.577 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.217 1.179 11.111 1.00 0.00 H new ATOM 992 N GLU A 63 7.402 4.991 7.113 1.00 0.00 N ATOM 993 CA GLU A 63 8.671 5.210 6.441 1.00 0.00 C ATOM 994 C GLU A 63 8.642 6.530 5.668 1.00 0.00 C ATOM 995 O GLU A 63 9.585 7.315 5.736 1.00 0.00 O ATOM 996 CB GLU A 63 9.012 4.039 5.517 1.00 0.00 C ATOM 997 CG GLU A 63 9.740 2.931 6.280 1.00 0.00 C ATOM 998 CD GLU A 63 9.097 1.569 6.014 1.00 0.00 C ATOM 999 OE1 GLU A 63 8.077 1.283 6.678 1.00 0.00 O ATOM 1000 OE2 GLU A 63 9.638 0.844 5.151 1.00 0.00 O ATOM 0 H GLU A 63 6.721 4.456 6.574 1.00 0.00 H new ATOM 0 HA GLU A 63 9.454 5.272 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.098 3.641 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.636 4.390 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.788 2.907 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.718 3.145 7.349 1.00 0.00 H new ATOM 1008 N LEU A 64 7.548 6.733 4.949 1.00 0.00 N ATOM 1009 CA LEU A 64 7.383 7.943 4.164 1.00 0.00 C ATOM 1010 C LEU A 64 7.356 9.154 5.099 1.00 0.00 C ATOM 1011 O LEU A 64 7.969 10.181 4.809 1.00 0.00 O ATOM 1012 CB LEU A 64 6.149 7.834 3.263 1.00 0.00 C ATOM 1013 CG LEU A 64 6.156 6.687 2.251 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.768 6.485 1.642 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.226 6.908 1.180 1.00 0.00 C ATOM 0 H LEU A 64 6.767 6.079 4.894 1.00 0.00 H new ATOM 0 HA LEU A 64 8.230 8.078 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.269 7.727 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.037 8.772 2.719 1.00 0.00 H new ATOM 0 HG LEU A 64 6.413 5.768 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.801 5.664 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.055 6.249 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.458 7.398 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.210 6.078 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.024 7.839 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.207 6.964 1.652 1.00 0.00 H new ATOM 1027 N GLU A 65 6.640 8.994 6.202 1.00 0.00 N ATOM 1028 CA GLU A 65 6.526 10.060 7.182 1.00 0.00 C ATOM 1029 C GLU A 65 7.892 10.356 7.807 1.00 0.00 C ATOM 1030 O GLU A 65 8.225 11.512 8.059 1.00 0.00 O ATOM 1031 CB GLU A 65 5.496 9.709 8.257 1.00 0.00 C ATOM 1032 CG GLU A 65 6.094 8.767 9.303 1.00 0.00 C ATOM 1033 CD GLU A 65 6.936 9.540 10.321 1.00 0.00 C ATOM 1034 OE1 GLU A 65 6.492 10.645 10.700 1.00 0.00 O ATOM 1035 OE2 GLU A 65 8.002 9.009 10.696 1.00 0.00 O ATOM 0 H GLU A 65 6.133 8.141 6.439 1.00 0.00 H new ATOM 0 HA GLU A 65 6.179 10.959 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.146 10.620 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.628 9.240 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.294 8.234 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.712 8.016 8.810 1.00 0.00 H new ATOM 1043 N GLY A 66 8.644 9.290 8.038 1.00 0.00 N ATOM 1044 CA GLY A 66 9.964 9.420 8.628 1.00 0.00 C ATOM 1045 C GLY A 66 10.893 10.231 7.721 1.00 0.00 C ATOM 1046 O GLY A 66 11.646 11.079 8.196 1.00 0.00 O ATOM 0 H GLY A 66 8.364 8.332 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.885 9.905 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.389 8.431 8.799 1.00 0.00 H new ATOM 1050 N GLY A 67 10.808 9.940 6.431 1.00 0.00 N ATOM 1051 CA GLY A 67 11.631 10.632 5.453 1.00 0.00 C ATOM 1052 C GLY A 67 11.985 9.709 4.285 1.00 0.00 C ATOM 1053 O GLY A 67 12.411 10.174 3.228 1.00 0.00 O ATOM 0 H GLY A 67 10.183 9.235 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.101 11.509 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.544 10.990 5.928 1.00 0.00 H new ATOM 1057 N THR A 68 11.796 8.417 4.514 1.00 0.00 N ATOM 1058 CA THR A 68 12.091 7.426 3.494 1.00 0.00 C ATOM 1059 C THR A 68 11.350 7.759 2.197 1.00 0.00 C ATOM 1060 O THR A 68 10.446 8.592 2.191 1.00 0.00 O ATOM 1061 CB THR A 68 11.739 6.048 4.058 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.672 5.858 5.117 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.051 4.916 3.076 1.00 0.00 C ATOM 0 H THR A 68 11.442 8.034 5.391 1.00 0.00 H new ATOM 0 HA THR A 68 13.150 7.427 3.236 1.00 0.00 H new ATOM 0 HB THR A 68 10.681 6.021 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.514 4.988 5.540 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.783 3.960 3.526 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.477 5.060 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.116 4.921 2.842 1.00 0.00 H new ATOM 1071 N ALA A 69 11.762 7.091 1.130 1.00 0.00 N ATOM 1072 CA ALA A 69 11.149 7.305 -0.170 1.00 0.00 C ATOM 1073 C ALA A 69 10.131 6.194 -0.439 1.00 0.00 C ATOM 1074 O ALA A 69 10.055 5.223 0.311 1.00 0.00 O ATOM 1075 CB ALA A 69 12.237 7.371 -1.244 1.00 0.00 C ATOM 0 H ALA A 69 12.513 6.401 1.139 1.00 0.00 H new ATOM 0 HA ALA A 69 10.614 8.254 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.777 7.532 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.916 8.194 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.794 6.434 -1.256 1.00 0.00 H new ATOM 1081 N PRO A 70 9.355 6.380 -1.541 1.00 0.00 N ATOM 1082 CA PRO A 70 8.346 5.405 -1.917 1.00 0.00 C ATOM 1083 C PRO A 70 8.988 4.163 -2.537 1.00 0.00 C ATOM 1084 O PRO A 70 8.364 3.105 -2.606 1.00 0.00 O ATOM 1085 CB PRO A 70 7.428 6.142 -2.880 1.00 0.00 C ATOM 1086 CG PRO A 70 8.215 7.348 -3.366 1.00 0.00 C ATOM 1087 CD PRO A 70 9.418 7.518 -2.453 1.00 0.00 C ATOM 0 HA PRO A 70 7.786 5.028 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.141 5.501 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.508 6.450 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.536 7.204 -4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.593 8.243 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.349 7.520 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.373 8.463 -1.911 1.00 0.00 H new ATOM 1095 N LYS A 71 10.228 4.331 -2.973 1.00 0.00 N ATOM 1096 CA LYS A 71 10.961 3.237 -3.584 1.00 0.00 C ATOM 1097 C LYS A 71 12.056 2.762 -2.625 1.00 0.00 C ATOM 1098 O LYS A 71 13.193 2.539 -3.037 1.00 0.00 O ATOM 1099 CB LYS A 71 11.487 3.646 -4.962 1.00 0.00 C ATOM 1100 CG LYS A 71 12.594 4.695 -4.837 1.00 0.00 C ATOM 1101 CD LYS A 71 12.015 6.111 -4.878 1.00 0.00 C ATOM 1102 CE LYS A 71 12.603 6.910 -6.042 1.00 0.00 C ATOM 1103 NZ LYS A 71 11.663 7.969 -6.472 1.00 0.00 N ATOM 0 H LYS A 71 10.743 5.209 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 71 10.300 2.389 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.869 2.769 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.670 4.044 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.136 4.547 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.313 4.569 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.931 6.062 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.226 6.621 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.551 7.357 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.816 6.243 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.078 8.502 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.768 7.536 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.481 8.615 -5.678 1.00 0.00 H new ATOM 1117 N ASP A 72 11.673 2.624 -1.364 1.00 0.00 N ATOM 1118 CA ASP A 72 12.607 2.180 -0.344 1.00 0.00 C ATOM 1119 C ASP A 72 11.828 1.723 0.891 1.00 0.00 C ATOM 1120 O ASP A 72 12.186 0.731 1.523 1.00 0.00 O ATOM 1121 CB ASP A 72 13.540 3.317 0.080 1.00 0.00 C ATOM 1122 CG ASP A 72 15.016 3.102 -0.259 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.318 2.028 -0.822 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.809 4.017 0.051 1.00 0.00 O ATOM 0 H ASP A 72 10.729 2.812 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 72 13.198 1.364 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.204 4.239 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.447 3.461 1.156 1.00 0.00 H new ATOM 1130 N VAL A 73 10.777 2.469 1.197 1.00 0.00 N ATOM 1131 CA VAL A 73 9.943 2.153 2.345 1.00 0.00 C ATOM 1132 C VAL A 73 9.862 0.634 2.508 1.00 0.00 C ATOM 1133 O VAL A 73 10.661 0.040 3.230 1.00 0.00 O ATOM 1134 CB VAL A 73 8.571 2.813 2.193 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.534 2.134 3.091 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.648 4.313 2.481 1.00 0.00 C ATOM 0 H VAL A 73 10.483 3.292 0.670 1.00 0.00 H new ATOM 0 HA VAL A 73 10.382 2.555 3.258 1.00 0.00 H new ATOM 0 HB VAL A 73 8.252 2.688 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.568 2.622 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.448 1.082 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.847 2.213 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.659 4.757 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.000 4.470 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.340 4.783 1.782 1.00 0.00 H new ATOM 1146 N CYS A 74 8.889 0.049 1.824 1.00 0.00 N ATOM 1147 CA CYS A 74 8.693 -1.390 1.884 1.00 0.00 C ATOM 1148 C CYS A 74 10.065 -2.058 1.980 1.00 0.00 C ATOM 1149 O CYS A 74 10.364 -2.732 2.965 1.00 0.00 O ATOM 1150 CB CYS A 74 7.891 -1.901 0.685 1.00 0.00 C ATOM 1151 SG CYS A 74 8.028 -0.875 -0.824 1.00 0.00 S ATOM 0 H CYS A 74 8.228 0.545 1.226 1.00 0.00 H new ATOM 0 HA CYS A 74 8.105 -1.644 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.220 -2.913 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.841 -1.966 0.969 1.00 0.00 H new ATOM 1156 N THR A 75 10.864 -1.848 0.944 1.00 0.00 N ATOM 1157 CA THR A 75 12.198 -2.423 0.901 1.00 0.00 C ATOM 1158 C THR A 75 12.838 -2.392 2.290 1.00 0.00 C ATOM 1159 O THR A 75 13.462 -3.366 2.711 1.00 0.00 O ATOM 1160 CB THR A 75 13.004 -1.664 -0.156 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.218 -1.774 -1.339 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.314 -2.371 -0.513 1.00 0.00 C ATOM 0 H THR A 75 10.614 -1.288 0.129 1.00 0.00 H new ATOM 0 HA THR A 75 12.167 -3.475 0.616 1.00 0.00 H new ATOM 0 HB THR A 75 13.220 -0.659 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.667 -1.307 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.847 -1.791 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.933 -2.462 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.096 -3.364 -0.906 1.00 0.00 H new ATOM 1170 N LYS A 76 12.663 -1.266 2.963 1.00 0.00 N ATOM 1171 CA LYS A 76 13.215 -1.095 4.297 1.00 0.00 C ATOM 1172 C LYS A 76 12.775 -2.266 5.178 1.00 0.00 C ATOM 1173 O LYS A 76 13.582 -3.133 5.513 1.00 0.00 O ATOM 1174 CB LYS A 76 12.839 0.275 4.862 1.00 0.00 C ATOM 1175 CG LYS A 76 14.042 0.940 5.534 1.00 0.00 C ATOM 1176 CD LYS A 76 14.418 2.241 4.822 1.00 0.00 C ATOM 1177 CE LYS A 76 15.931 2.466 4.855 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.370 2.845 6.217 1.00 0.00 N ATOM 0 H LYS A 76 12.146 -0.461 2.610 1.00 0.00 H new ATOM 0 HA LYS A 76 14.304 -1.111 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.467 0.913 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.030 0.165 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.811 1.147 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.892 0.257 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.074 2.207 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.911 3.080 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.446 1.559 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.203 3.249 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.399 2.994 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.892 3.723 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.127 2.085 6.884 1.00 0.00 H new ATOM 1192 N LEU A 77 11.498 -2.254 5.529 1.00 0.00 N ATOM 1193 CA LEU A 77 10.941 -3.304 6.365 1.00 0.00 C ATOM 1194 C LEU A 77 11.063 -4.646 5.640 1.00 0.00 C ATOM 1195 O LEU A 77 10.761 -5.693 6.210 1.00 0.00 O ATOM 1196 CB LEU A 77 9.511 -2.956 6.782 1.00 0.00 C ATOM 1197 CG LEU A 77 9.186 -1.464 6.884 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.825 -1.244 7.548 1.00 0.00 C ATOM 1199 CD2 LEU A 77 10.305 -0.708 7.605 1.00 0.00 C ATOM 0 H LEU A 77 10.832 -1.533 5.250 1.00 0.00 H new ATOM 0 HA LEU A 77 11.505 -3.391 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.825 -3.409 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.313 -3.418 7.749 1.00 0.00 H new ATOM 0 HG LEU A 77 9.121 -1.058 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.618 -0.176 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.049 -1.731 6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.837 -1.668 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.050 0.350 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.425 -1.109 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.238 -0.826 7.053 1.00 0.00 H new ATOM 1211 N ASN A 78 11.503 -4.571 4.393 1.00 0.00 N ATOM 1212 CA ASN A 78 11.667 -5.766 3.585 1.00 0.00 C ATOM 1213 C ASN A 78 10.332 -6.121 2.929 1.00 0.00 C ATOM 1214 O ASN A 78 10.143 -7.243 2.462 1.00 0.00 O ATOM 1215 CB ASN A 78 12.104 -6.956 4.442 1.00 0.00 C ATOM 1216 CG ASN A 78 12.880 -7.978 3.608 1.00 0.00 C ATOM 1217 OD1 ASN A 78 14.077 -7.869 3.401 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.132 -8.974 3.141 1.00 0.00 N ATOM 0 H ASN A 78 11.751 -3.701 3.923 1.00 0.00 H new ATOM 0 HA ASN A 78 12.431 -5.562 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.726 -6.606 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.228 -7.432 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.556 -9.707 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.135 -9.005 3.352 1.00 0.00 H new ATOM 1225 N GLU A 79 9.437 -5.143 2.916 1.00 0.00 N ATOM 1226 CA GLU A 79 8.124 -5.337 2.326 1.00 0.00 C ATOM 1227 C GLU A 79 8.214 -5.286 0.799 1.00 0.00 C ATOM 1228 O GLU A 79 7.201 -5.393 0.110 1.00 0.00 O ATOM 1229 CB GLU A 79 7.127 -4.302 2.850 1.00 0.00 C ATOM 1230 CG GLU A 79 7.355 -4.028 4.338 1.00 0.00 C ATOM 1231 CD GLU A 79 6.072 -4.256 5.140 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.777 -5.440 5.412 1.00 0.00 O ATOM 1233 OE2 GLU A 79 5.416 -3.243 5.464 1.00 0.00 O ATOM 0 H GLU A 79 9.596 -4.214 3.305 1.00 0.00 H new ATOM 0 HA GLU A 79 7.761 -6.323 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.229 -3.375 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.109 -4.660 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.144 -4.679 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.696 -3.002 4.474 1.00 0.00 H new ATOM 1241 N CYS A 80 9.437 -5.123 0.316 1.00 0.00 N ATOM 1242 CA CYS A 80 9.674 -5.056 -1.116 1.00 0.00 C ATOM 1243 C CYS A 80 11.002 -5.754 -1.416 1.00 0.00 C ATOM 1244 O CYS A 80 12.006 -5.498 -0.755 1.00 0.00 O ATOM 1245 CB CYS A 80 9.660 -3.613 -1.625 1.00 0.00 C ATOM 1246 SG CYS A 80 8.158 -3.144 -2.560 1.00 0.00 S ATOM 0 H CYS A 80 10.275 -5.035 0.891 1.00 0.00 H new ATOM 0 HA CYS A 80 8.869 -5.566 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.765 -2.941 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.531 -3.459 -2.262 1.00 0.00 H new ATOM 1251 N PRO A 81 10.962 -6.647 -2.442 1.00 0.00 N ATOM 1252 CA PRO A 81 9.730 -6.892 -3.173 1.00 0.00 C ATOM 1253 C PRO A 81 8.762 -7.743 -2.350 1.00 0.00 C ATOM 1254 O PRO A 81 9.182 -8.665 -1.651 1.00 0.00 O ATOM 1255 CB PRO A 81 10.168 -7.569 -4.463 1.00 0.00 C ATOM 1256 CG PRO A 81 11.569 -8.096 -4.203 1.00 0.00 C ATOM 1257 CD PRO A 81 12.083 -7.444 -2.930 1.00 0.00 C ATOM 0 HA PRO A 81 9.178 -5.977 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.489 -8.379 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.164 -6.864 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.555 -9.181 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.225 -7.865 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.386 -8.192 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.955 -6.821 -3.129 1.00 0.00 H new TER 1265 PRO A 81