USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 837 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 33 TYR OH : rot 19:sc= -1.22 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -1.4! C(o=-2.6!,f=-9.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.123 (180deg=-0.812) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.054) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= 0.895 (180deg=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 21:sc= 0.136 USER MOD Single : A 32 MET CE :methyl 168:sc= -0.154 (180deg=-0.331) USER MOD Single : A 34 HIS : no HE2:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 35 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.56) USER MOD Single : A 36 THR OG1 : rot 45:sc= 0.847 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.101 (180deg=-0.659) USER MOD Single : A 51 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.9!) USER MOD Single : A 74 TYR OH : rot -119:sc= -0.946! USER MOD Single : A 76 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.6) USER MOD Single : A 78 THR OG1 : rot 25:sc= 0.0928 USER MOD Single : B 99 SER OG : rot 180:sc= 0 USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 TYR OH : rot 180:sc= -0.131 USER MOD Single : B 112 LYS NZ :NH3+ -152:sc= -0.682 (180deg=-1.69!) USER MOD Single : B 113 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.616 7.743 8.202 1.00 0.00 N ATOM 2 CA MET A 1 -13.940 6.821 9.322 1.00 0.00 C ATOM 3 C MET A 1 -14.758 5.628 8.835 1.00 0.00 C ATOM 4 O MET A 1 -15.566 5.071 9.579 1.00 0.00 O ATOM 5 CB MET A 1 -14.722 7.598 10.384 1.00 0.00 C ATOM 6 CG MET A 1 -15.860 8.429 9.815 1.00 0.00 C ATOM 7 SD MET A 1 -17.296 8.477 10.904 1.00 0.00 S ATOM 8 CE MET A 1 -17.702 10.220 10.852 1.00 0.00 C ATOM 0 H1 MET A 1 -13.571 8.719 8.558 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.697 7.481 7.792 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.353 7.674 7.472 1.00 0.00 H new ATOM 0 HA MET A 1 -13.013 6.434 9.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.126 6.895 11.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.037 8.254 10.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.509 9.446 9.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.155 8.021 8.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.573 10.410 11.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.857 10.802 11.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.924 10.511 9.825 1.00 0.00 H new ATOM 20 N ASP A 2 -14.543 5.243 7.581 1.00 0.00 N ATOM 21 CA ASP A 2 -15.258 4.114 6.996 1.00 0.00 C ATOM 22 C ASP A 2 -14.392 2.859 6.999 1.00 0.00 C ATOM 23 O ASP A 2 -13.202 2.914 6.690 1.00 0.00 O ATOM 24 CB ASP A 2 -15.691 4.447 5.566 1.00 0.00 C ATOM 25 CG ASP A 2 -17.070 5.071 5.509 1.00 0.00 C ATOM 26 OD1 ASP A 2 -18.037 4.418 5.956 1.00 0.00 O ATOM 27 OD2 ASP A 2 -17.185 6.215 5.018 1.00 0.00 O ATOM 0 H ASP A 2 -13.880 5.695 6.951 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.143 3.922 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.968 5.130 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.682 3.537 4.966 1.00 0.00 H new ATOM 32 N ARG A 3 -14.997 1.729 7.351 1.00 0.00 N ATOM 33 CA ARG A 3 -14.279 0.462 7.395 1.00 0.00 C ATOM 34 C ARG A 3 -14.662 -0.422 6.212 1.00 0.00 C ATOM 35 O ARG A 3 -13.828 -1.155 5.678 1.00 0.00 O ATOM 36 CB ARG A 3 -14.571 -0.270 8.707 1.00 0.00 C ATOM 37 CG ARG A 3 -13.462 -1.215 9.137 1.00 0.00 C ATOM 38 CD ARG A 3 -13.287 -1.223 10.649 1.00 0.00 C ATOM 39 NE ARG A 3 -13.354 -2.575 11.198 1.00 0.00 N ATOM 40 CZ ARG A 3 -12.892 -2.909 12.402 1.00 0.00 C ATOM 41 NH1 ARG A 3 -12.333 -1.994 13.183 1.00 0.00 N ATOM 42 NH2 ARG A 3 -12.993 -4.162 12.825 1.00 0.00 N ATOM 0 H ARG A 3 -15.982 1.666 7.609 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.212 0.677 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.736 0.465 9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.497 -0.835 8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.688 -2.224 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.526 -0.918 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.328 -0.774 10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.060 -0.606 11.107 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.779 -3.305 10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.255 -1.029 12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.981 -2.256 14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.424 -4.868 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.640 -4.419 13.747 1.00 0.00 H new ATOM 56 N LYS A 4 -15.923 -0.346 5.806 1.00 0.00 N ATOM 57 CA LYS A 4 -16.413 -1.138 4.684 1.00 0.00 C ATOM 58 C LYS A 4 -15.836 -0.627 3.369 1.00 0.00 C ATOM 59 O LYS A 4 -15.571 -1.404 2.452 1.00 0.00 O ATOM 60 CB LYS A 4 -17.940 -1.106 4.635 1.00 0.00 C ATOM 61 CG LYS A 4 -18.521 0.299 4.645 1.00 0.00 C ATOM 62 CD LYS A 4 -19.865 0.354 3.934 1.00 0.00 C ATOM 63 CE LYS A 4 -20.873 1.185 4.710 1.00 0.00 C ATOM 64 NZ LYS A 4 -22.273 0.746 4.450 1.00 0.00 N ATOM 0 H LYS A 4 -16.625 0.256 6.236 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.087 -2.168 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.277 -1.623 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.334 -1.659 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.639 0.637 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.825 0.985 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.734 0.777 2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.250 -0.657 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.661 1.110 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.765 2.235 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.930 1.338 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.484 0.842 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.384 -0.248 4.734 1.00 0.00 H new ATOM 78 N VAL A 5 -15.640 0.684 3.286 1.00 0.00 N ATOM 79 CA VAL A 5 -15.090 1.298 2.084 1.00 0.00 C ATOM 80 C VAL A 5 -13.647 0.863 1.868 1.00 0.00 C ATOM 81 O VAL A 5 -13.202 0.691 0.733 1.00 0.00 O ATOM 82 CB VAL A 5 -15.148 2.835 2.159 1.00 0.00 C ATOM 83 CG1 VAL A 5 -14.686 3.456 0.849 1.00 0.00 C ATOM 84 CG2 VAL A 5 -16.553 3.300 2.510 1.00 0.00 C ATOM 0 H VAL A 5 -15.854 1.341 4.036 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.701 0.964 1.245 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.472 3.165 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.735 4.542 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.659 3.152 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.332 3.119 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.574 4.389 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -17.251 2.957 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.842 2.888 3.477 1.00 0.00 H new ATOM 94 N ALA A 6 -12.921 0.685 2.965 1.00 0.00 N ATOM 95 CA ALA A 6 -11.529 0.267 2.898 1.00 0.00 C ATOM 96 C ALA A 6 -11.416 -1.175 2.434 1.00 0.00 C ATOM 97 O ALA A 6 -10.665 -1.483 1.510 1.00 0.00 O ATOM 98 CB ALA A 6 -10.861 0.442 4.252 1.00 0.00 C ATOM 0 H ALA A 6 -13.275 0.824 3.912 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.018 0.897 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.820 0.126 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.904 1.491 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.379 -0.165 4.995 1.00 0.00 H new ATOM 104 N ARG A 7 -12.173 -2.053 3.073 1.00 0.00 N ATOM 105 CA ARG A 7 -12.165 -3.463 2.715 1.00 0.00 C ATOM 106 C ARG A 7 -12.701 -3.651 1.303 1.00 0.00 C ATOM 107 O ARG A 7 -12.350 -4.612 0.619 1.00 0.00 O ATOM 108 CB ARG A 7 -13.000 -4.273 3.708 1.00 0.00 C ATOM 109 CG ARG A 7 -12.487 -5.690 3.920 1.00 0.00 C ATOM 110 CD ARG A 7 -12.282 -5.998 5.395 1.00 0.00 C ATOM 111 NE ARG A 7 -13.471 -6.590 6.001 1.00 0.00 N ATOM 112 CZ ARG A 7 -13.960 -7.782 5.664 1.00 0.00 C ATOM 113 NH1 ARG A 7 -13.364 -8.510 4.727 1.00 0.00 N ATOM 114 NH2 ARG A 7 -15.046 -8.246 6.265 1.00 0.00 N ATOM 0 H ARG A 7 -12.800 -1.815 3.841 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.137 -3.823 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.015 -3.754 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.030 -4.317 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.195 -6.401 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.545 -5.820 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.439 -6.680 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.024 -5.081 5.924 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.956 -6.060 6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.528 -8.157 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.742 -9.422 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -15.507 -7.690 6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.421 -9.159 6.007 1.00 0.00 H new ATOM 128 N GLU A 8 -13.550 -2.724 0.870 1.00 0.00 N ATOM 129 CA GLU A 8 -14.124 -2.791 -0.465 1.00 0.00 C ATOM 130 C GLU A 8 -13.063 -2.497 -1.513 1.00 0.00 C ATOM 131 O GLU A 8 -12.904 -3.246 -2.479 1.00 0.00 O ATOM 132 CB GLU A 8 -15.291 -1.812 -0.600 1.00 0.00 C ATOM 133 CG GLU A 8 -16.655 -2.473 -0.478 1.00 0.00 C ATOM 134 CD GLU A 8 -17.763 -1.640 -1.092 1.00 0.00 C ATOM 135 OE1 GLU A 8 -17.676 -0.395 -1.030 1.00 0.00 O ATOM 136 OE2 GLU A 8 -18.718 -2.233 -1.637 1.00 0.00 O ATOM 0 H GLU A 8 -13.853 -1.922 1.423 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.502 -3.801 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.199 -1.042 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.224 -1.310 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.627 -3.448 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.877 -2.648 0.575 1.00 0.00 H new ATOM 143 N PHE A 9 -12.325 -1.414 -1.312 1.00 0.00 N ATOM 144 CA PHE A 9 -11.268 -1.051 -2.242 1.00 0.00 C ATOM 145 C PHE A 9 -10.131 -2.058 -2.132 1.00 0.00 C ATOM 146 O PHE A 9 -9.604 -2.530 -3.139 1.00 0.00 O ATOM 147 CB PHE A 9 -10.793 0.391 -1.993 1.00 0.00 C ATOM 148 CG PHE A 9 -9.526 0.530 -1.191 1.00 0.00 C ATOM 149 CD1 PHE A 9 -8.320 0.035 -1.666 1.00 0.00 C ATOM 150 CD2 PHE A 9 -9.542 1.174 0.034 1.00 0.00 C ATOM 151 CE1 PHE A 9 -7.159 0.176 -0.934 1.00 0.00 C ATOM 152 CE2 PHE A 9 -8.383 1.320 0.770 1.00 0.00 C ATOM 153 CZ PHE A 9 -7.192 0.819 0.285 1.00 0.00 C ATOM 0 H PHE A 9 -12.437 -0.778 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.651 -1.082 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.647 0.878 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.588 0.933 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.290 -0.467 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.472 1.567 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.227 -0.216 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.408 1.826 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.285 0.931 0.861 1.00 0.00 H new ATOM 163 N ARG A 10 -9.777 -2.404 -0.896 1.00 0.00 N ATOM 164 CA ARG A 10 -8.724 -3.379 -0.650 1.00 0.00 C ATOM 165 C ARG A 10 -9.092 -4.704 -1.305 1.00 0.00 C ATOM 166 O ARG A 10 -8.247 -5.370 -1.908 1.00 0.00 O ATOM 167 CB ARG A 10 -8.514 -3.573 0.853 1.00 0.00 C ATOM 168 CG ARG A 10 -7.141 -4.122 1.208 1.00 0.00 C ATOM 169 CD ARG A 10 -6.057 -3.067 1.049 1.00 0.00 C ATOM 170 NE ARG A 10 -5.155 -3.371 -0.058 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.277 -2.506 -0.558 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.181 -1.282 -0.055 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.492 -2.865 -1.565 1.00 0.00 N ATOM 0 H ARG A 10 -10.205 -2.023 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.793 -3.011 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.656 -2.618 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.277 -4.251 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.148 -4.485 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.914 -4.976 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.520 -2.094 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.484 -2.994 1.973 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.201 -4.302 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.782 -1.000 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.506 -0.623 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.562 -3.804 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.819 -2.202 -1.948 1.00 0.00 H new ATOM 187 N HIS A 11 -10.369 -5.073 -1.200 1.00 0.00 N ATOM 188 CA HIS A 11 -10.853 -6.308 -1.800 1.00 0.00 C ATOM 189 C HIS A 11 -10.614 -6.280 -3.305 1.00 0.00 C ATOM 190 O HIS A 11 -10.177 -7.268 -3.899 1.00 0.00 O ATOM 191 CB HIS A 11 -12.342 -6.500 -1.505 1.00 0.00 C ATOM 192 CG HIS A 11 -12.932 -7.714 -2.151 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.217 -8.874 -1.458 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.290 -7.950 -3.435 1.00 0.00 C ATOM 195 CE1 HIS A 11 -13.724 -9.767 -2.288 1.00 0.00 C ATOM 196 NE2 HIS A 11 -13.779 -9.231 -3.493 1.00 0.00 N ATOM 0 H HIS A 11 -11.081 -4.534 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.306 -7.146 -1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.484 -6.568 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.887 -5.618 -1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.206 -7.259 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.040 -10.766 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.129 -9.694 -4.332 1.00 0.00 H new ATOM 205 N LYS A 12 -10.888 -5.131 -3.910 1.00 0.00 N ATOM 206 CA LYS A 12 -10.690 -4.953 -5.343 1.00 0.00 C ATOM 207 C LYS A 12 -9.226 -5.167 -5.704 1.00 0.00 C ATOM 208 O LYS A 12 -8.907 -5.733 -6.750 1.00 0.00 O ATOM 209 CB LYS A 12 -11.138 -3.556 -5.776 1.00 0.00 C ATOM 210 CG LYS A 12 -12.638 -3.336 -5.670 1.00 0.00 C ATOM 211 CD LYS A 12 -12.985 -1.856 -5.649 1.00 0.00 C ATOM 212 CE LYS A 12 -14.209 -1.557 -6.499 1.00 0.00 C ATOM 213 NZ LYS A 12 -15.472 -1.948 -5.813 1.00 0.00 N ATOM 0 H LYS A 12 -11.249 -4.307 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.295 -5.692 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.627 -2.814 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.827 -3.387 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.137 -3.816 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.013 -3.811 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.168 -1.539 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.137 -1.277 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.237 -0.493 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.131 -2.089 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.283 -1.728 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.457 -2.968 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.560 -1.421 -4.920 1.00 0.00 H new ATOM 227 N VAL A 13 -8.336 -4.718 -4.822 1.00 0.00 N ATOM 228 CA VAL A 13 -6.902 -4.868 -5.037 1.00 0.00 C ATOM 229 C VAL A 13 -6.531 -6.339 -5.157 1.00 0.00 C ATOM 230 O VAL A 13 -5.836 -6.742 -6.090 1.00 0.00 O ATOM 231 CB VAL A 13 -6.091 -4.233 -3.890 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.600 -4.303 -4.184 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.530 -2.796 -3.658 1.00 0.00 C ATOM 0 H VAL A 13 -8.584 -4.247 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.658 -4.352 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.283 -4.799 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.045 -3.850 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.299 -5.345 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.386 -3.765 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.947 -2.364 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.371 -2.216 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.588 -2.777 -3.396 1.00 0.00 H new ATOM 243 N ASP A 14 -7.012 -7.143 -4.212 1.00 0.00 N ATOM 244 CA ASP A 14 -6.739 -8.575 -4.224 1.00 0.00 C ATOM 245 C ASP A 14 -7.222 -9.192 -5.530 1.00 0.00 C ATOM 246 O ASP A 14 -6.564 -10.060 -6.104 1.00 0.00 O ATOM 247 CB ASP A 14 -7.421 -9.257 -3.037 1.00 0.00 C ATOM 248 CG ASP A 14 -6.977 -10.697 -2.865 1.00 0.00 C ATOM 249 OD1 ASP A 14 -5.838 -11.019 -3.265 1.00 0.00 O ATOM 250 OD2 ASP A 14 -7.767 -11.502 -2.330 1.00 0.00 O ATOM 0 H ASP A 14 -7.590 -6.828 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.662 -8.724 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.201 -8.700 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.502 -9.227 -3.176 1.00 0.00 H new ATOM 255 N PHE A 15 -8.372 -8.724 -5.999 1.00 0.00 N ATOM 256 CA PHE A 15 -8.948 -9.212 -7.245 1.00 0.00 C ATOM 257 C PHE A 15 -8.103 -8.764 -8.436 1.00 0.00 C ATOM 258 O PHE A 15 -8.007 -9.467 -9.441 1.00 0.00 O ATOM 259 CB PHE A 15 -10.385 -8.706 -7.397 1.00 0.00 C ATOM 260 CG PHE A 15 -10.989 -8.986 -8.745 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.795 -8.109 -9.799 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.751 -10.125 -8.956 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.346 -8.363 -11.041 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.306 -10.384 -10.195 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.102 -9.502 -11.237 1.00 0.00 C ATOM 0 H PHE A 15 -8.925 -8.005 -5.533 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.959 -10.302 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -11.006 -9.167 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.402 -7.631 -7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.206 -7.216 -9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.913 -10.817 -8.143 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.186 -7.673 -11.856 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.898 -11.274 -10.348 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.534 -9.703 -12.206 1.00 0.00 H new ATOM 275 N LEU A 16 -7.495 -7.586 -8.314 1.00 0.00 N ATOM 276 CA LEU A 16 -6.661 -7.041 -9.377 1.00 0.00 C ATOM 277 C LEU A 16 -5.176 -7.257 -9.091 1.00 0.00 C ATOM 278 O LEU A 16 -4.318 -6.728 -9.800 1.00 0.00 O ATOM 279 CB LEU A 16 -6.940 -5.548 -9.560 1.00 0.00 C ATOM 280 CG LEU A 16 -8.419 -5.172 -9.658 1.00 0.00 C ATOM 281 CD1 LEU A 16 -8.628 -3.722 -9.250 1.00 0.00 C ATOM 282 CD2 LEU A 16 -8.936 -5.409 -11.070 1.00 0.00 C ATOM 0 H LEU A 16 -7.566 -6.992 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.911 -7.572 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.498 -5.006 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.434 -5.208 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.982 -5.806 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.686 -3.472 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.295 -3.582 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.053 -3.072 -9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.990 -5.136 -11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.368 -4.799 -11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.820 -6.462 -11.328 1.00 0.00 H new ATOM 294 N ILE A 17 -4.871 -8.035 -8.054 1.00 0.00 N ATOM 295 CA ILE A 17 -3.508 -8.316 -7.686 1.00 0.00 C ATOM 296 C ILE A 17 -3.402 -9.722 -7.109 1.00 0.00 C ATOM 297 O ILE A 17 -3.154 -9.916 -5.918 1.00 0.00 O ATOM 298 CB ILE A 17 -2.980 -7.306 -6.664 1.00 0.00 C ATOM 299 CG1 ILE A 17 -2.901 -5.908 -7.281 1.00 0.00 C ATOM 300 CG2 ILE A 17 -1.626 -7.760 -6.179 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.912 -5.801 -8.421 1.00 0.00 C ATOM 0 H ILE A 17 -5.567 -8.480 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.901 -8.239 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.664 -7.253 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.889 -5.623 -7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.626 -5.193 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.242 -7.046 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.717 -8.741 -5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.939 -7.822 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.911 -4.782 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.914 -6.054 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.197 -6.490 -9.216 1.00 0.00 H new ATOM 313 N GLU A 18 -3.601 -10.691 -7.973 1.00 0.00 N ATOM 314 CA GLU A 18 -3.539 -12.097 -7.590 1.00 0.00 C ATOM 315 C GLU A 18 -2.173 -12.442 -7.007 1.00 0.00 C ATOM 316 O GLU A 18 -2.062 -13.280 -6.113 1.00 0.00 O ATOM 317 CB GLU A 18 -3.830 -12.988 -8.800 1.00 0.00 C ATOM 318 CG GLU A 18 -2.867 -12.775 -9.957 1.00 0.00 C ATOM 319 CD GLU A 18 -3.316 -13.476 -11.225 1.00 0.00 C ATOM 320 OE1 GLU A 18 -3.142 -14.709 -11.315 1.00 0.00 O ATOM 321 OE2 GLU A 18 -3.842 -12.791 -12.127 1.00 0.00 O ATOM 0 H GLU A 18 -3.810 -10.536 -8.959 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.295 -12.274 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.788 -14.032 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.847 -12.798 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.769 -11.707 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.879 -13.139 -9.675 1.00 0.00 H new ATOM 328 N ASN A 19 -1.137 -11.786 -7.518 1.00 0.00 N ATOM 329 CA ASN A 19 0.222 -12.022 -7.047 1.00 0.00 C ATOM 330 C ASN A 19 0.425 -11.421 -5.659 1.00 0.00 C ATOM 331 O ASN A 19 -0.047 -10.321 -5.373 1.00 0.00 O ATOM 332 CB ASN A 19 1.236 -11.425 -8.027 1.00 0.00 C ATOM 333 CG ASN A 19 1.596 -12.386 -9.142 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.971 -12.385 -10.204 1.00 0.00 O ATOM 335 ND2 ASN A 19 2.606 -13.214 -8.906 1.00 0.00 N ATOM 0 H ASN A 19 -1.212 -11.088 -8.258 1.00 0.00 H new ATOM 0 HA ASN A 19 0.378 -13.099 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.827 -10.511 -8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.140 -11.146 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.893 -13.885 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.095 -13.180 -8.012 1.00 0.00 H new ATOM 342 N ASP A 20 1.127 -12.151 -4.801 1.00 0.00 N ATOM 343 CA ASP A 20 1.390 -11.691 -3.443 1.00 0.00 C ATOM 344 C ASP A 20 2.466 -10.609 -3.430 1.00 0.00 C ATOM 345 O ASP A 20 2.477 -9.743 -2.555 1.00 0.00 O ATOM 346 CB ASP A 20 1.818 -12.861 -2.557 1.00 0.00 C ATOM 347 CG ASP A 20 1.911 -12.477 -1.094 1.00 0.00 C ATOM 348 OD1 ASP A 20 0.851 -12.348 -0.445 1.00 0.00 O ATOM 349 OD2 ASP A 20 3.043 -12.304 -0.596 1.00 0.00 O ATOM 0 H ASP A 20 1.524 -13.064 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 20 0.467 -11.265 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.105 -13.678 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.786 -13.233 -2.894 1.00 0.00 H new ATOM 354 N ALA A 21 3.370 -10.661 -4.404 1.00 0.00 N ATOM 355 CA ALA A 21 4.446 -9.684 -4.498 1.00 0.00 C ATOM 356 C ALA A 21 3.894 -8.279 -4.650 1.00 0.00 C ATOM 357 O ALA A 21 4.242 -7.380 -3.885 1.00 0.00 O ATOM 358 CB ALA A 21 5.368 -10.020 -5.657 1.00 0.00 C ATOM 0 H ALA A 21 3.377 -11.369 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 21 5.020 -9.723 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.166 -9.280 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.800 -11.009 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.800 -10.012 -6.588 1.00 0.00 H new ATOM 364 N GLU A 22 3.017 -8.097 -5.626 1.00 0.00 N ATOM 365 CA GLU A 22 2.401 -6.797 -5.854 1.00 0.00 C ATOM 366 C GLU A 22 1.827 -6.276 -4.545 1.00 0.00 C ATOM 367 O GLU A 22 1.857 -5.077 -4.265 1.00 0.00 O ATOM 368 CB GLU A 22 1.303 -6.900 -6.914 1.00 0.00 C ATOM 369 CG GLU A 22 1.826 -6.827 -8.340 1.00 0.00 C ATOM 370 CD GLU A 22 0.810 -7.305 -9.360 1.00 0.00 C ATOM 371 OE1 GLU A 22 0.187 -8.363 -9.125 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.638 -6.623 -10.390 1.00 0.00 O ATOM 0 H GLU A 22 2.717 -8.829 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 22 3.158 -6.102 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.767 -7.840 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.583 -6.097 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.107 -5.799 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.730 -7.431 -8.423 1.00 0.00 H new ATOM 379 N LYS A 23 1.328 -7.204 -3.734 1.00 0.00 N ATOM 380 CA LYS A 23 0.769 -6.865 -2.436 1.00 0.00 C ATOM 381 C LYS A 23 1.887 -6.483 -1.474 1.00 0.00 C ATOM 382 O LYS A 23 1.716 -5.611 -0.623 1.00 0.00 O ATOM 383 CB LYS A 23 -0.033 -8.038 -1.873 1.00 0.00 C ATOM 384 CG LYS A 23 -1.091 -8.568 -2.827 1.00 0.00 C ATOM 385 CD LYS A 23 -1.839 -9.747 -2.224 1.00 0.00 C ATOM 386 CE LYS A 23 -3.055 -10.120 -3.058 1.00 0.00 C ATOM 387 NZ LYS A 23 -2.855 -11.404 -3.785 1.00 0.00 N ATOM 0 H LYS A 23 1.301 -8.199 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 23 0.097 -6.016 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.652 -8.847 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.515 -7.726 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.796 -7.773 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.621 -8.873 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.170 -10.604 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.154 -9.500 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.928 -10.201 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.262 -9.325 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.099 -11.277 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.860 -11.697 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.466 -12.137 -3.370 1.00 0.00 H new ATOM 401 N ASP A 24 3.041 -7.136 -1.626 1.00 0.00 N ATOM 402 CA ASP A 24 4.190 -6.849 -0.777 1.00 0.00 C ATOM 403 C ASP A 24 4.629 -5.401 -0.958 1.00 0.00 C ATOM 404 O ASP A 24 4.947 -4.709 0.008 1.00 0.00 O ATOM 405 CB ASP A 24 5.346 -7.794 -1.107 1.00 0.00 C ATOM 406 CG ASP A 24 6.207 -8.098 0.103 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.447 -7.175 0.909 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.641 -9.261 0.246 1.00 0.00 O ATOM 0 H ASP A 24 3.200 -7.861 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 24 3.900 -7.002 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.947 -8.725 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.964 -7.349 -1.887 1.00 0.00 H new ATOM 413 N TYR A 25 4.632 -4.946 -2.209 1.00 0.00 N ATOM 414 CA TYR A 25 5.018 -3.577 -2.521 1.00 0.00 C ATOM 415 C TYR A 25 3.988 -2.600 -1.972 1.00 0.00 C ATOM 416 O TYR A 25 4.337 -1.561 -1.412 1.00 0.00 O ATOM 417 CB TYR A 25 5.163 -3.396 -4.034 1.00 0.00 C ATOM 418 CG TYR A 25 6.400 -2.624 -4.435 1.00 0.00 C ATOM 419 CD1 TYR A 25 7.668 -3.088 -4.105 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.300 -1.433 -5.143 1.00 0.00 C ATOM 421 CE1 TYR A 25 8.801 -2.385 -4.470 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.429 -0.725 -5.511 1.00 0.00 C ATOM 423 CZ TYR A 25 8.676 -1.205 -5.173 1.00 0.00 C ATOM 424 OH TYR A 25 9.801 -0.503 -5.537 1.00 0.00 O ATOM 0 H TYR A 25 4.371 -5.507 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 25 5.980 -3.373 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.187 -4.377 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.283 -2.879 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.770 -4.012 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.325 -1.054 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.779 -2.758 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.334 0.200 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 25 9.539 0.304 -6.027 1.00 0.00 H new ATOM 434 N LEU A 26 2.713 -2.946 -2.129 1.00 0.00 N ATOM 435 CA LEU A 26 1.628 -2.105 -1.641 1.00 0.00 C ATOM 436 C LEU A 26 1.689 -1.981 -0.123 1.00 0.00 C ATOM 437 O LEU A 26 1.445 -0.911 0.434 1.00 0.00 O ATOM 438 CB LEU A 26 0.275 -2.680 -2.065 1.00 0.00 C ATOM 439 CG LEU A 26 -0.220 -2.228 -3.439 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.098 -3.299 -4.069 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.976 -0.914 -3.325 1.00 0.00 C ATOM 0 H LEU A 26 2.408 -3.803 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 26 1.741 -1.113 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.342 -3.768 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.470 -2.404 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 26 0.645 -2.072 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.441 -2.960 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.524 -4.218 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.959 -3.487 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.322 -0.606 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.833 -1.044 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.316 -0.149 -2.917 1.00 0.00 H new ATOM 453 N TYR A 27 2.025 -3.084 0.542 1.00 0.00 N ATOM 454 CA TYR A 27 2.125 -3.098 1.997 1.00 0.00 C ATOM 455 C TYR A 27 3.217 -2.147 2.469 1.00 0.00 C ATOM 456 O TYR A 27 3.026 -1.386 3.417 1.00 0.00 O ATOM 457 CB TYR A 27 2.413 -4.514 2.499 1.00 0.00 C ATOM 458 CG TYR A 27 1.295 -5.497 2.225 1.00 0.00 C ATOM 459 CD1 TYR A 27 -0.036 -5.120 2.348 1.00 0.00 C ATOM 460 CD2 TYR A 27 1.573 -6.804 1.845 1.00 0.00 C ATOM 461 CE1 TYR A 27 -1.058 -6.016 2.099 1.00 0.00 C ATOM 462 CE2 TYR A 27 0.555 -7.707 1.594 1.00 0.00 C ATOM 463 CZ TYR A 27 -0.757 -7.307 1.723 1.00 0.00 C ATOM 464 OH TYR A 27 -1.772 -8.202 1.475 1.00 0.00 O ATOM 0 H TYR A 27 2.232 -3.978 0.096 1.00 0.00 H new ATOM 0 HA TYR A 27 1.171 -2.766 2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.327 -4.877 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.598 -4.478 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.276 -4.109 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.601 -7.121 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.088 -5.706 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.788 -8.719 1.299 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.600 -7.713 1.286 1.00 0.00 H new ATOM 474 N ASP A 28 4.360 -2.195 1.797 1.00 0.00 N ATOM 475 CA ASP A 28 5.486 -1.336 2.141 1.00 0.00 C ATOM 476 C ASP A 28 5.123 0.130 1.935 1.00 0.00 C ATOM 477 O ASP A 28 5.416 0.978 2.779 1.00 0.00 O ATOM 478 CB ASP A 28 6.709 -1.696 1.296 1.00 0.00 C ATOM 479 CG ASP A 28 7.543 -2.795 1.927 1.00 0.00 C ATOM 480 OD1 ASP A 28 8.122 -2.555 3.007 1.00 0.00 O ATOM 481 OD2 ASP A 28 7.617 -3.894 1.339 1.00 0.00 O ATOM 0 H ASP A 28 4.532 -2.820 1.010 1.00 0.00 H new ATOM 0 HA ASP A 28 5.726 -1.492 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.383 -2.014 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.326 -0.808 1.158 1.00 0.00 H new ATOM 486 N VAL A 29 4.479 0.421 0.808 1.00 0.00 N ATOM 487 CA VAL A 29 4.070 1.784 0.492 1.00 0.00 C ATOM 488 C VAL A 29 3.132 2.330 1.561 1.00 0.00 C ATOM 489 O VAL A 29 3.299 3.453 2.040 1.00 0.00 O ATOM 490 CB VAL A 29 3.371 1.856 -0.879 1.00 0.00 C ATOM 491 CG1 VAL A 29 3.129 3.302 -1.282 1.00 0.00 C ATOM 492 CG2 VAL A 29 4.190 1.128 -1.938 1.00 0.00 C ATOM 0 H VAL A 29 4.230 -0.269 0.100 1.00 0.00 H new ATOM 0 HA VAL A 29 4.974 2.391 0.459 1.00 0.00 H new ATOM 0 HB VAL A 29 2.404 1.360 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.635 3.331 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.496 3.786 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.082 3.827 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.680 1.190 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.174 1.591 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.303 0.082 -1.655 1.00 0.00 H new ATOM 502 N LEU A 30 2.150 1.521 1.937 1.00 0.00 N ATOM 503 CA LEU A 30 1.184 1.910 2.957 1.00 0.00 C ATOM 504 C LEU A 30 1.892 2.209 4.274 1.00 0.00 C ATOM 505 O LEU A 30 1.600 3.206 4.938 1.00 0.00 O ATOM 506 CB LEU A 30 0.149 0.802 3.160 1.00 0.00 C ATOM 507 CG LEU A 30 -0.839 0.617 2.005 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.111 -0.859 1.764 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.135 1.359 2.291 1.00 0.00 C ATOM 0 H LEU A 30 2.001 0.589 1.550 1.00 0.00 H new ATOM 0 HA LEU A 30 0.673 2.812 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.674 -0.139 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.414 1.014 4.069 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.394 1.034 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.815 -0.969 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.178 -1.365 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.535 -1.303 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.826 1.217 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.582 0.970 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.927 2.422 2.412 1.00 0.00 H new ATOM 521 N ARG A 31 2.832 1.342 4.643 1.00 0.00 N ATOM 522 CA ARG A 31 3.589 1.518 5.874 1.00 0.00 C ATOM 523 C ARG A 31 4.308 2.861 5.871 1.00 0.00 C ATOM 524 O ARG A 31 4.420 3.519 6.906 1.00 0.00 O ATOM 525 CB ARG A 31 4.601 0.382 6.044 1.00 0.00 C ATOM 526 CG ARG A 31 4.085 -0.770 6.893 1.00 0.00 C ATOM 527 CD ARG A 31 4.928 -0.966 8.143 1.00 0.00 C ATOM 528 NE ARG A 31 6.093 -1.811 7.892 1.00 0.00 N ATOM 529 CZ ARG A 31 6.022 -3.117 7.643 1.00 0.00 C ATOM 530 NH1 ARG A 31 4.845 -3.729 7.611 1.00 0.00 N ATOM 531 NH2 ARG A 31 7.130 -3.811 7.427 1.00 0.00 N ATOM 0 H ARG A 31 3.085 0.513 4.106 1.00 0.00 H new ATOM 0 HA ARG A 31 2.892 1.497 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.877 0.002 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.508 0.780 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.051 -0.578 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.088 -1.687 6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.258 0.005 8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.317 -1.415 8.926 1.00 0.00 H new ATOM 0 HE ARG A 31 7.015 -1.375 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.990 -3.199 7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.796 -4.730 7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.037 -3.345 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.076 -4.812 7.236 1.00 0.00 H new ATOM 545 N MET A 32 4.781 3.268 4.698 1.00 0.00 N ATOM 546 CA MET A 32 5.477 4.540 4.560 1.00 0.00 C ATOM 547 C MET A 32 4.537 5.690 4.890 1.00 0.00 C ATOM 548 O MET A 32 4.875 6.576 5.671 1.00 0.00 O ATOM 549 CB MET A 32 6.028 4.700 3.142 1.00 0.00 C ATOM 550 CG MET A 32 7.142 3.723 2.809 1.00 0.00 C ATOM 551 SD MET A 32 8.222 4.325 1.496 1.00 0.00 S ATOM 552 CE MET A 32 9.525 5.093 2.457 1.00 0.00 C ATOM 0 H MET A 32 4.695 2.736 3.832 1.00 0.00 H new ATOM 0 HA MET A 32 6.313 4.555 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.215 4.568 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.399 5.717 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.735 3.534 3.704 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.707 2.770 2.508 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.369 5.323 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.152 6.013 2.906 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.848 4.410 3.243 1.00 0.00 H new ATOM 562 N TYR A 33 3.347 5.669 4.298 1.00 0.00 N ATOM 563 CA TYR A 33 2.360 6.715 4.543 1.00 0.00 C ATOM 564 C TYR A 33 2.106 6.884 6.039 1.00 0.00 C ATOM 565 O TYR A 33 2.000 8.001 6.538 1.00 0.00 O ATOM 566 CB TYR A 33 1.046 6.394 3.828 1.00 0.00 C ATOM 567 CG TYR A 33 0.370 7.610 3.231 1.00 0.00 C ATOM 568 CD1 TYR A 33 0.401 8.837 3.885 1.00 0.00 C ATOM 569 CD2 TYR A 33 -0.296 7.532 2.015 1.00 0.00 C ATOM 570 CE1 TYR A 33 -0.212 9.949 3.343 1.00 0.00 C ATOM 571 CE2 TYR A 33 -0.910 8.640 1.465 1.00 0.00 C ATOM 572 CZ TYR A 33 -0.866 9.846 2.134 1.00 0.00 C ATOM 573 OH TYR A 33 -1.476 10.953 1.591 1.00 0.00 O ATOM 0 H TYR A 33 3.044 4.943 3.649 1.00 0.00 H new ATOM 0 HA TYR A 33 2.759 7.649 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.240 5.671 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.364 5.919 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.913 8.921 4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.334 6.589 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.179 10.895 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.422 8.563 0.517 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.108 11.763 2.001 1.00 0.00 H new ATOM 583 N HIS A 34 1.998 5.768 6.748 1.00 0.00 N ATOM 584 CA HIS A 34 1.746 5.804 8.185 1.00 0.00 C ATOM 585 C HIS A 34 2.991 6.211 8.971 1.00 0.00 C ATOM 586 O HIS A 34 2.914 7.014 9.901 1.00 0.00 O ATOM 587 CB HIS A 34 1.250 4.440 8.666 1.00 0.00 C ATOM 588 CG HIS A 34 0.070 4.523 9.584 1.00 0.00 C ATOM 589 ND1 HIS A 34 0.024 3.899 10.812 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.114 5.167 9.448 1.00 0.00 C ATOM 591 CE1 HIS A 34 -1.135 4.153 11.391 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.844 4.920 10.583 1.00 0.00 N ATOM 0 H HIS A 34 2.080 4.830 6.355 1.00 0.00 H new ATOM 0 HA HIS A 34 0.978 6.557 8.365 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.985 3.833 7.800 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.064 3.926 9.178 1.00 0.00 H new ATOM 0 HD1 HIS A 34 0.770 3.329 11.212 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.425 5.764 8.603 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -1.450 3.795 12.360 1.00 0.00 H new ATOM 601 N GLN A 35 4.129 5.634 8.608 1.00 0.00 N ATOM 602 CA GLN A 35 5.389 5.914 9.296 1.00 0.00 C ATOM 603 C GLN A 35 5.996 7.257 8.890 1.00 0.00 C ATOM 604 O GLN A 35 6.298 8.090 9.745 1.00 0.00 O ATOM 605 CB GLN A 35 6.393 4.791 9.026 1.00 0.00 C ATOM 606 CG GLN A 35 7.459 4.657 10.101 1.00 0.00 C ATOM 607 CD GLN A 35 6.871 4.418 11.478 1.00 0.00 C ATOM 608 OE1 GLN A 35 6.683 3.275 11.895 1.00 0.00 O ATOM 609 NE2 GLN A 35 6.578 5.499 12.192 1.00 0.00 N ATOM 0 H GLN A 35 4.209 4.968 7.840 1.00 0.00 H new ATOM 0 HA GLN A 35 5.165 5.969 10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.855 3.847 8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.877 4.971 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.125 3.833 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.066 5.562 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.751 6.427 11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.180 5.401 13.126 1.00 0.00 H new ATOM 618 N THR A 36 6.200 7.453 7.592 1.00 0.00 N ATOM 619 CA THR A 36 6.801 8.686 7.089 1.00 0.00 C ATOM 620 C THR A 36 5.747 9.729 6.727 1.00 0.00 C ATOM 621 O THR A 36 5.901 10.910 7.035 1.00 0.00 O ATOM 622 CB THR A 36 7.672 8.388 5.868 1.00 0.00 C ATOM 623 OG1 THR A 36 7.136 7.314 5.118 1.00 0.00 O ATOM 624 CG2 THR A 36 9.098 8.030 6.223 1.00 0.00 C ATOM 0 H THR A 36 5.959 6.776 6.869 1.00 0.00 H new ATOM 0 HA THR A 36 7.417 9.097 7.889 1.00 0.00 H new ATOM 0 HB THR A 36 7.678 9.311 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.168 7.433 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.661 7.831 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.559 8.859 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.104 7.142 6.854 1.00 0.00 H new ATOM 632 N MET A 37 4.682 9.289 6.063 1.00 0.00 N ATOM 633 CA MET A 37 3.610 10.193 5.649 1.00 0.00 C ATOM 634 C MET A 37 4.052 11.044 4.462 1.00 0.00 C ATOM 635 O MET A 37 3.636 12.195 4.320 1.00 0.00 O ATOM 636 CB MET A 37 3.177 11.093 6.814 1.00 0.00 C ATOM 637 CG MET A 37 1.711 10.943 7.181 1.00 0.00 C ATOM 638 SD MET A 37 1.250 11.926 8.620 1.00 0.00 S ATOM 639 CE MET A 37 0.491 10.672 9.651 1.00 0.00 C ATOM 0 H MET A 37 4.537 8.314 5.800 1.00 0.00 H new ATOM 0 HA MET A 37 2.757 9.587 5.344 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.788 10.863 7.687 1.00 0.00 H new ATOM 0 HB3 MET A 37 3.374 12.133 6.552 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.096 11.239 6.331 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.496 9.893 7.379 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.152 11.124 10.583 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.361 10.237 9.128 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.219 9.891 9.870 1.00 0.00 H new ATOM 649 N ASP A 38 4.891 10.466 3.608 1.00 0.00 N ATOM 650 CA ASP A 38 5.386 11.165 2.426 1.00 0.00 C ATOM 651 C ASP A 38 4.579 10.771 1.194 1.00 0.00 C ATOM 652 O ASP A 38 4.590 9.614 0.777 1.00 0.00 O ATOM 653 CB ASP A 38 6.868 10.857 2.204 1.00 0.00 C ATOM 654 CG ASP A 38 7.183 9.379 2.337 1.00 0.00 C ATOM 655 OD1 ASP A 38 6.238 8.564 2.305 1.00 0.00 O ATOM 656 OD2 ASP A 38 8.376 9.037 2.473 1.00 0.00 O ATOM 0 H ASP A 38 5.243 9.514 3.712 1.00 0.00 H new ATOM 0 HA ASP A 38 5.272 12.237 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.162 11.199 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.464 11.418 2.924 1.00 0.00 H new ATOM 661 N VAL A 39 3.878 11.740 0.617 1.00 0.00 N ATOM 662 CA VAL A 39 3.061 11.491 -0.563 1.00 0.00 C ATOM 663 C VAL A 39 3.911 11.441 -1.830 1.00 0.00 C ATOM 664 O VAL A 39 3.464 10.943 -2.863 1.00 0.00 O ATOM 665 CB VAL A 39 1.975 12.570 -0.734 1.00 0.00 C ATOM 666 CG1 VAL A 39 1.005 12.182 -1.840 1.00 0.00 C ATOM 667 CG2 VAL A 39 1.237 12.795 0.578 1.00 0.00 C ATOM 0 H VAL A 39 3.859 12.705 0.947 1.00 0.00 H new ATOM 0 HA VAL A 39 2.584 10.522 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 39 2.458 13.505 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.245 12.956 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.548 12.075 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.526 11.236 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.473 13.560 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.765 11.865 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.943 13.121 1.341 1.00 0.00 H new ATOM 677 N ALA A 40 5.135 11.950 -1.748 1.00 0.00 N ATOM 678 CA ALA A 40 6.029 11.949 -2.895 1.00 0.00 C ATOM 679 C ALA A 40 6.636 10.572 -3.094 1.00 0.00 C ATOM 680 O ALA A 40 6.808 10.112 -4.222 1.00 0.00 O ATOM 681 CB ALA A 40 7.118 12.996 -2.722 1.00 0.00 C ATOM 0 H ALA A 40 5.527 12.366 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 40 5.451 12.200 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.778 12.981 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.663 13.982 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.695 12.776 -1.824 1.00 0.00 H new ATOM 687 N VAL A 41 6.945 9.912 -1.987 1.00 0.00 N ATOM 688 CA VAL A 41 7.518 8.580 -2.036 1.00 0.00 C ATOM 689 C VAL A 41 6.455 7.562 -2.430 1.00 0.00 C ATOM 690 O VAL A 41 6.737 6.579 -3.116 1.00 0.00 O ATOM 691 CB VAL A 41 8.131 8.175 -0.684 1.00 0.00 C ATOM 692 CG1 VAL A 41 8.868 6.849 -0.805 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.062 9.265 -0.171 1.00 0.00 C ATOM 0 H VAL A 41 6.808 10.279 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 41 8.311 8.595 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 41 7.322 8.050 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.294 6.580 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.171 6.073 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.667 6.943 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.486 8.961 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.866 9.425 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.502 10.191 -0.042 1.00 0.00 H new ATOM 703 N LEU A 42 5.225 7.815 -1.990 1.00 0.00 N ATOM 704 CA LEU A 42 4.107 6.932 -2.292 1.00 0.00 C ATOM 705 C LEU A 42 3.742 7.003 -3.772 1.00 0.00 C ATOM 706 O LEU A 42 3.463 5.981 -4.395 1.00 0.00 O ATOM 707 CB LEU A 42 2.896 7.300 -1.432 1.00 0.00 C ATOM 708 CG LEU A 42 2.777 6.516 -0.123 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.965 7.437 1.072 1.00 0.00 C ATOM 710 CD2 LEU A 42 1.431 5.809 -0.045 1.00 0.00 C ATOM 0 H LEU A 42 4.979 8.626 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 42 4.408 5.910 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.943 8.364 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.990 7.142 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 42 3.564 5.762 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.877 6.861 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.952 7.897 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.201 8.214 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.364 5.257 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.630 6.546 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.334 5.117 -0.882 1.00 0.00 H new ATOM 722 N VAL A 43 3.748 8.210 -4.332 1.00 0.00 N ATOM 723 CA VAL A 43 3.419 8.388 -5.741 1.00 0.00 C ATOM 724 C VAL A 43 4.389 7.606 -6.623 1.00 0.00 C ATOM 725 O VAL A 43 3.989 6.999 -7.617 1.00 0.00 O ATOM 726 CB VAL A 43 3.446 9.877 -6.149 1.00 0.00 C ATOM 727 CG1 VAL A 43 3.178 10.038 -7.639 1.00 0.00 C ATOM 728 CG2 VAL A 43 2.434 10.671 -5.335 1.00 0.00 C ATOM 0 H VAL A 43 3.975 9.072 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 43 2.407 8.008 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 43 4.442 10.268 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.202 11.096 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.942 9.506 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.197 9.627 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.467 11.718 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.434 10.274 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.676 10.590 -4.275 1.00 0.00 H new ATOM 738 N GLY A 44 5.663 7.622 -6.248 1.00 0.00 N ATOM 739 CA GLY A 44 6.671 6.910 -7.011 1.00 0.00 C ATOM 740 C GLY A 44 6.464 5.408 -6.984 1.00 0.00 C ATOM 741 O GLY A 44 6.331 4.775 -8.032 1.00 0.00 O ATOM 0 H GLY A 44 6.016 8.116 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.654 7.258 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.658 7.145 -6.612 1.00 0.00 H new ATOM 745 N ASP A 45 6.437 4.836 -5.785 1.00 0.00 N ATOM 746 CA ASP A 45 6.246 3.397 -5.630 1.00 0.00 C ATOM 747 C ASP A 45 4.877 2.971 -6.148 1.00 0.00 C ATOM 748 O ASP A 45 4.761 2.013 -6.915 1.00 0.00 O ATOM 749 CB ASP A 45 6.397 2.996 -4.161 1.00 0.00 C ATOM 750 CG ASP A 45 7.840 3.018 -3.702 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.666 3.678 -4.368 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.147 2.373 -2.676 1.00 0.00 O ATOM 0 H ASP A 45 6.545 5.345 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 45 7.011 2.889 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.811 3.673 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.988 1.996 -4.016 1.00 0.00 H new ATOM 757 N LEU A 46 3.839 3.688 -5.726 1.00 0.00 N ATOM 758 CA LEU A 46 2.477 3.386 -6.148 1.00 0.00 C ATOM 759 C LEU A 46 2.394 3.259 -7.663 1.00 0.00 C ATOM 760 O LEU A 46 1.733 2.362 -8.184 1.00 0.00 O ATOM 761 CB LEU A 46 1.512 4.469 -5.660 1.00 0.00 C ATOM 762 CG LEU A 46 1.203 4.431 -4.162 1.00 0.00 C ATOM 763 CD1 LEU A 46 0.495 5.707 -3.730 1.00 0.00 C ATOM 764 CD2 LEU A 46 0.357 3.211 -3.825 1.00 0.00 C ATOM 0 H LEU A 46 3.917 4.483 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 46 2.191 2.432 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.931 5.445 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.576 4.376 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 46 2.144 4.360 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.283 5.662 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.134 6.566 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.440 5.809 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.146 3.199 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.580 3.254 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.899 2.306 -4.098 1.00 0.00 H new ATOM 776 N LYS A 47 3.074 4.156 -8.364 1.00 0.00 N ATOM 777 CA LYS A 47 3.082 4.137 -9.822 1.00 0.00 C ATOM 778 C LYS A 47 3.698 2.840 -10.334 1.00 0.00 C ATOM 779 O LYS A 47 3.171 2.202 -11.246 1.00 0.00 O ATOM 780 CB LYS A 47 3.852 5.341 -10.369 1.00 0.00 C ATOM 781 CG LYS A 47 2.997 6.280 -11.205 1.00 0.00 C ATOM 782 CD LYS A 47 3.222 7.733 -10.822 1.00 0.00 C ATOM 783 CE LYS A 47 4.502 8.280 -11.435 1.00 0.00 C ATOM 784 NZ LYS A 47 4.470 8.236 -12.923 1.00 0.00 N ATOM 0 H LYS A 47 3.627 4.905 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 47 2.051 4.195 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.280 5.898 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.685 4.985 -10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.230 6.141 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.945 6.028 -11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.374 8.333 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.271 7.821 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.651 9.308 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.353 7.703 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.123 8.949 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.759 7.292 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.505 8.437 -13.256 1.00 0.00 H new ATOM 798 N LEU A 48 4.817 2.452 -9.733 1.00 0.00 N ATOM 799 CA LEU A 48 5.509 1.228 -10.120 1.00 0.00 C ATOM 800 C LEU A 48 4.567 0.030 -10.053 1.00 0.00 C ATOM 801 O LEU A 48 4.634 -0.873 -10.887 1.00 0.00 O ATOM 802 CB LEU A 48 6.723 0.995 -9.216 1.00 0.00 C ATOM 803 CG LEU A 48 8.072 1.351 -9.845 1.00 0.00 C ATOM 804 CD1 LEU A 48 9.191 1.192 -8.828 1.00 0.00 C ATOM 805 CD2 LEU A 48 8.333 0.488 -11.070 1.00 0.00 C ATOM 0 H LEU A 48 5.265 2.968 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 48 5.851 1.340 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.597 1.581 -8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.742 -0.054 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 48 8.042 2.394 -10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.143 1.449 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.010 1.854 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.223 0.159 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.296 0.755 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.344 -0.562 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.545 0.652 -11.805 1.00 0.00 H new ATOM 817 N VAL A 49 3.685 0.028 -9.056 1.00 0.00 N ATOM 818 CA VAL A 49 2.726 -1.059 -8.888 1.00 0.00 C ATOM 819 C VAL A 49 1.343 -0.668 -9.409 1.00 0.00 C ATOM 820 O VAL A 49 0.406 -1.465 -9.356 1.00 0.00 O ATOM 821 CB VAL A 49 2.611 -1.487 -7.411 1.00 0.00 C ATOM 822 CG1 VAL A 49 2.068 -0.352 -6.556 1.00 0.00 C ATOM 823 CG2 VAL A 49 1.736 -2.726 -7.282 1.00 0.00 C ATOM 0 H VAL A 49 3.615 0.765 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 49 3.101 -1.900 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 49 3.610 -1.731 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.997 -0.680 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.739 0.505 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.079 -0.067 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.666 -3.014 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.739 -2.509 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.176 -3.543 -7.854 1.00 0.00 H new ATOM 833 N ILE A 50 1.219 0.561 -9.903 1.00 0.00 N ATOM 834 CA ILE A 50 -0.050 1.051 -10.424 1.00 0.00 C ATOM 835 C ILE A 50 0.146 1.813 -11.734 1.00 0.00 C ATOM 836 O ILE A 50 -0.615 2.725 -12.059 1.00 0.00 O ATOM 837 CB ILE A 50 -0.761 1.954 -9.394 1.00 0.00 C ATOM 838 CG1 ILE A 50 -0.963 1.201 -8.080 1.00 0.00 C ATOM 839 CG2 ILE A 50 -2.096 2.433 -9.936 1.00 0.00 C ATOM 840 CD1 ILE A 50 -1.245 2.105 -6.900 1.00 0.00 C ATOM 0 H ILE A 50 1.983 1.235 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.677 0.181 -10.619 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.132 2.824 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.790 0.501 -8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.072 0.610 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.582 3.068 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.934 3.002 -10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.731 1.574 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.377 1.501 -6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.408 2.789 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.153 2.678 -7.089 1.00 0.00 H new ATOM 852 N ASN A 51 1.172 1.434 -12.483 1.00 0.00 N ATOM 853 CA ASN A 51 1.468 2.081 -13.757 1.00 0.00 C ATOM 854 C ASN A 51 0.735 1.406 -14.917 1.00 0.00 C ATOM 855 O ASN A 51 1.086 1.615 -16.079 1.00 0.00 O ATOM 856 CB ASN A 51 2.974 2.074 -14.022 1.00 0.00 C ATOM 857 CG ASN A 51 3.598 0.709 -13.798 1.00 0.00 C ATOM 858 OD1 ASN A 51 2.895 -0.297 -13.689 1.00 0.00 O ATOM 859 ND2 ASN A 51 4.923 0.668 -13.728 1.00 0.00 N ATOM 0 H ASN A 51 1.814 0.682 -12.232 1.00 0.00 H new ATOM 0 HA ASN A 51 1.118 3.111 -13.689 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.160 2.391 -15.048 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.457 2.802 -13.371 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.399 -0.222 -13.578 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.466 1.526 -13.824 1.00 0.00 H new ATOM 866 N GLU A 52 -0.284 0.603 -14.609 1.00 0.00 N ATOM 867 CA GLU A 52 -1.047 -0.082 -15.647 1.00 0.00 C ATOM 868 C GLU A 52 -2.542 0.112 -15.424 1.00 0.00 C ATOM 869 O GLU A 52 -3.007 0.134 -14.285 1.00 0.00 O ATOM 870 CB GLU A 52 -0.712 -1.575 -15.664 1.00 0.00 C ATOM 871 CG GLU A 52 0.769 -1.871 -15.487 1.00 0.00 C ATOM 872 CD GLU A 52 1.585 -1.513 -16.713 1.00 0.00 C ATOM 873 OE1 GLU A 52 1.182 -1.902 -17.829 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.629 -0.843 -16.556 1.00 0.00 O ATOM 0 H GLU A 52 -0.597 0.413 -13.657 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.775 0.349 -16.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.270 -2.073 -14.871 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.049 -2.003 -16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.147 -1.315 -14.629 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.900 -2.930 -15.264 1.00 0.00 H new ATOM 881 N PRO A 53 -3.325 0.248 -16.509 1.00 0.00 N ATOM 882 CA PRO A 53 -4.774 0.433 -16.411 1.00 0.00 C ATOM 883 C PRO A 53 -5.409 -0.546 -15.430 1.00 0.00 C ATOM 884 O PRO A 53 -6.309 -0.188 -14.670 1.00 0.00 O ATOM 885 CB PRO A 53 -5.258 0.161 -17.835 1.00 0.00 C ATOM 886 CG PRO A 53 -4.107 0.540 -18.701 1.00 0.00 C ATOM 887 CD PRO A 53 -2.863 0.226 -17.911 1.00 0.00 C ATOM 0 HA PRO A 53 -5.042 1.422 -16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.527 -0.887 -17.969 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.144 0.750 -18.072 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.124 -0.018 -19.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.147 1.598 -18.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.451 -0.746 -18.182 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.080 0.964 -18.086 1.00 0.00 H new ATOM 895 N SER A 54 -4.923 -1.782 -15.448 1.00 0.00 N ATOM 896 CA SER A 54 -5.427 -2.816 -14.555 1.00 0.00 C ATOM 897 C SER A 54 -5.029 -2.521 -13.113 1.00 0.00 C ATOM 898 O SER A 54 -5.768 -2.830 -12.178 1.00 0.00 O ATOM 899 CB SER A 54 -4.896 -4.188 -14.973 1.00 0.00 C ATOM 900 OG SER A 54 -5.798 -4.839 -15.852 1.00 0.00 O ATOM 0 H SER A 54 -4.179 -2.092 -16.073 1.00 0.00 H new ATOM 0 HA SER A 54 -6.515 -2.823 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.928 -4.073 -15.460 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.737 -4.805 -14.088 1.00 0.00 H new ATOM 0 HG SER A 54 -5.434 -5.713 -16.106 1.00 0.00 H new ATOM 906 N ARG A 55 -3.853 -1.924 -12.945 1.00 0.00 N ATOM 907 CA ARG A 55 -3.345 -1.588 -11.620 1.00 0.00 C ATOM 908 C ARG A 55 -3.787 -0.188 -11.189 1.00 0.00 C ATOM 909 O ARG A 55 -3.646 0.183 -10.023 1.00 0.00 O ATOM 910 CB ARG A 55 -1.821 -1.692 -11.603 1.00 0.00 C ATOM 911 CG ARG A 55 -1.296 -3.003 -12.160 1.00 0.00 C ATOM 912 CD ARG A 55 0.143 -2.874 -12.633 1.00 0.00 C ATOM 913 NE ARG A 55 1.095 -3.254 -11.593 1.00 0.00 N ATOM 914 CZ ARG A 55 2.358 -3.598 -11.834 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.825 -3.613 -13.077 1.00 0.00 N ATOM 916 NH2 ARG A 55 3.158 -3.928 -10.829 1.00 0.00 N ATOM 0 H ARG A 55 -3.233 -1.663 -13.712 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.762 -2.301 -10.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.402 -0.868 -12.180 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.468 -1.575 -10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.360 -3.776 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.925 -3.324 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.294 -3.503 -13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.333 -1.846 -12.941 1.00 0.00 H new ATOM 0 HE ARG A 55 0.773 -3.256 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.215 -3.360 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.794 -3.878 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.805 -3.918 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.126 -4.192 -11.013 1.00 0.00 H new ATOM 930 N LEU A 56 -4.323 0.584 -12.133 1.00 0.00 N ATOM 931 CA LEU A 56 -4.787 1.940 -11.852 1.00 0.00 C ATOM 932 C LEU A 56 -5.777 1.973 -10.683 1.00 0.00 C ATOM 933 O LEU A 56 -5.668 2.821 -9.797 1.00 0.00 O ATOM 934 CB LEU A 56 -5.439 2.541 -13.099 1.00 0.00 C ATOM 935 CG LEU A 56 -4.467 3.160 -14.105 1.00 0.00 C ATOM 936 CD1 LEU A 56 -5.225 3.787 -15.264 1.00 0.00 C ATOM 937 CD2 LEU A 56 -3.580 4.192 -13.425 1.00 0.00 C ATOM 0 H LEU A 56 -4.447 0.291 -13.102 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.917 2.533 -11.570 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.011 1.762 -13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.149 3.306 -12.786 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.831 2.368 -14.500 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.517 4.222 -15.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.816 3.022 -15.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.887 4.567 -14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.895 4.622 -14.156 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.200 4.982 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.008 3.713 -12.630 1.00 0.00 H new ATOM 949 N PRO A 57 -6.764 1.059 -10.670 1.00 0.00 N ATOM 950 CA PRO A 57 -7.778 1.001 -9.609 1.00 0.00 C ATOM 951 C PRO A 57 -7.206 1.166 -8.202 1.00 0.00 C ATOM 952 O PRO A 57 -7.903 1.623 -7.298 1.00 0.00 O ATOM 953 CB PRO A 57 -8.374 -0.393 -9.785 1.00 0.00 C ATOM 954 CG PRO A 57 -8.254 -0.664 -11.244 1.00 0.00 C ATOM 955 CD PRO A 57 -6.985 0.013 -11.691 1.00 0.00 C ATOM 0 HA PRO A 57 -8.496 1.816 -9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.832 -1.134 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.414 -0.425 -9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.214 -1.736 -11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.116 -0.273 -11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.151 -0.688 -11.733 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.090 0.442 -12.687 1.00 0.00 H new ATOM 963 N LEU A 58 -5.944 0.791 -8.013 1.00 0.00 N ATOM 964 CA LEU A 58 -5.312 0.904 -6.703 1.00 0.00 C ATOM 965 C LEU A 58 -4.990 2.358 -6.371 1.00 0.00 C ATOM 966 O LEU A 58 -5.059 2.770 -5.213 1.00 0.00 O ATOM 967 CB LEU A 58 -4.039 0.060 -6.651 1.00 0.00 C ATOM 968 CG LEU A 58 -4.160 -1.338 -7.263 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.793 -1.993 -7.373 1.00 0.00 C ATOM 970 CD2 LEU A 58 -5.102 -2.200 -6.436 1.00 0.00 C ATOM 0 H LEU A 58 -5.343 0.409 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.016 0.532 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.244 0.598 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.731 -0.042 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.574 -1.241 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.899 -2.986 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.148 -1.385 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.350 -2.079 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.177 -3.191 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.716 -2.290 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.089 -1.738 -6.409 1.00 0.00 H new ATOM 982 N PHE A 59 -4.640 3.133 -7.392 1.00 0.00 N ATOM 983 CA PHE A 59 -4.311 4.542 -7.204 1.00 0.00 C ATOM 984 C PHE A 59 -5.536 5.331 -6.752 1.00 0.00 C ATOM 985 O PHE A 59 -5.463 6.133 -5.822 1.00 0.00 O ATOM 986 CB PHE A 59 -3.755 5.134 -8.504 1.00 0.00 C ATOM 987 CG PHE A 59 -2.470 5.898 -8.327 1.00 0.00 C ATOM 988 CD1 PHE A 59 -2.205 6.583 -7.152 1.00 0.00 C ATOM 989 CD2 PHE A 59 -1.526 5.929 -9.341 1.00 0.00 C ATOM 990 CE1 PHE A 59 -1.024 7.283 -6.991 1.00 0.00 C ATOM 991 CE2 PHE A 59 -0.343 6.628 -9.187 1.00 0.00 C ATOM 992 CZ PHE A 59 -0.092 7.306 -8.011 1.00 0.00 C ATOM 0 H PHE A 59 -4.577 2.810 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.550 4.613 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.591 4.327 -9.218 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.503 5.797 -8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.930 6.570 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.717 5.400 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.830 7.811 -6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.384 6.644 -9.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.831 7.853 -7.888 1.00 0.00 H new ATOM 1002 N ASP A 60 -6.662 5.093 -7.418 1.00 0.00 N ATOM 1003 CA ASP A 60 -7.909 5.776 -7.092 1.00 0.00 C ATOM 1004 C ASP A 60 -8.520 5.209 -5.816 1.00 0.00 C ATOM 1005 O ASP A 60 -9.192 5.916 -5.067 1.00 0.00 O ATOM 1006 CB ASP A 60 -8.902 5.650 -8.248 1.00 0.00 C ATOM 1007 CG ASP A 60 -9.681 6.929 -8.484 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -9.054 7.949 -8.837 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -10.918 6.910 -8.316 1.00 0.00 O ATOM 0 H ASP A 60 -6.736 4.430 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.686 6.830 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.364 5.383 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.598 4.838 -8.039 1.00 0.00 H new ATOM 1014 N ALA A 61 -8.293 3.922 -5.588 1.00 0.00 N ATOM 1015 CA ALA A 61 -8.823 3.236 -4.416 1.00 0.00 C ATOM 1016 C ALA A 61 -8.274 3.827 -3.118 1.00 0.00 C ATOM 1017 O ALA A 61 -9.025 4.348 -2.298 1.00 0.00 O ATOM 1018 CB ALA A 61 -8.502 1.755 -4.506 1.00 0.00 C ATOM 0 H ALA A 61 -7.740 3.327 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.904 3.373 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.899 1.243 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.955 1.338 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.421 1.619 -4.548 1.00 0.00 H new ATOM 1024 N ILE A 62 -6.961 3.728 -2.935 1.00 0.00 N ATOM 1025 CA ILE A 62 -6.301 4.241 -1.738 1.00 0.00 C ATOM 1026 C ILE A 62 -6.458 5.760 -1.613 1.00 0.00 C ATOM 1027 O ILE A 62 -6.479 6.307 -0.508 1.00 0.00 O ATOM 1028 CB ILE A 62 -4.796 3.870 -1.757 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -4.364 3.308 -0.404 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -3.927 5.063 -2.143 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -3.162 2.393 -0.490 1.00 0.00 C ATOM 0 H ILE A 62 -6.328 3.293 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.780 3.780 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.657 3.101 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.135 4.135 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.197 2.761 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.879 4.764 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.207 5.411 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.073 5.868 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.909 2.030 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.394 1.547 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.315 2.942 -0.902 1.00 0.00 H new ATOM 1043 N ARG A 63 -6.541 6.432 -2.757 1.00 0.00 N ATOM 1044 CA ARG A 63 -6.665 7.892 -2.811 1.00 0.00 C ATOM 1045 C ARG A 63 -7.603 8.463 -1.734 1.00 0.00 C ATOM 1046 O ARG A 63 -7.178 9.276 -0.915 1.00 0.00 O ATOM 1047 CB ARG A 63 -7.135 8.328 -4.204 1.00 0.00 C ATOM 1048 CG ARG A 63 -7.246 9.836 -4.368 1.00 0.00 C ATOM 1049 CD ARG A 63 -8.342 10.211 -5.351 1.00 0.00 C ATOM 1050 NE ARG A 63 -9.676 9.987 -4.797 1.00 0.00 N ATOM 1051 CZ ARG A 63 -10.805 10.278 -5.439 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -10.768 10.803 -6.657 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -11.975 10.043 -4.861 1.00 0.00 N ATOM 0 H ARG A 63 -6.525 5.984 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.674 8.297 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.441 7.941 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.106 7.877 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.452 10.294 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.293 10.236 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.236 11.260 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.226 9.626 -6.264 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.746 9.584 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.871 10.986 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.637 11.024 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.009 9.639 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.841 10.266 -5.353 1.00 0.00 H new ATOM 1067 N PRO A 64 -8.889 8.071 -1.724 1.00 0.00 N ATOM 1068 CA PRO A 64 -9.865 8.577 -0.750 1.00 0.00 C ATOM 1069 C PRO A 64 -9.364 8.521 0.691 1.00 0.00 C ATOM 1070 O PRO A 64 -9.802 9.299 1.536 1.00 0.00 O ATOM 1071 CB PRO A 64 -11.084 7.657 -0.932 1.00 0.00 C ATOM 1072 CG PRO A 64 -10.628 6.555 -1.833 1.00 0.00 C ATOM 1073 CD PRO A 64 -9.510 7.126 -2.654 1.00 0.00 C ATOM 0 HA PRO A 64 -10.080 9.631 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.424 7.264 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.922 8.199 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.288 5.695 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.442 6.210 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.810 6.356 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.878 7.622 -3.552 1.00 0.00 H new ATOM 1081 N LEU A 65 -8.438 7.608 0.966 1.00 0.00 N ATOM 1082 CA LEU A 65 -7.879 7.476 2.306 1.00 0.00 C ATOM 1083 C LEU A 65 -7.096 8.726 2.655 1.00 0.00 C ATOM 1084 O LEU A 65 -7.217 9.278 3.749 1.00 0.00 O ATOM 1085 CB LEU A 65 -6.971 6.250 2.392 1.00 0.00 C ATOM 1086 CG LEU A 65 -7.563 4.963 1.820 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -6.519 3.861 1.810 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -8.785 4.536 2.620 1.00 0.00 C ATOM 0 H LEU A 65 -8.061 6.952 0.282 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.696 7.349 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.041 6.468 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.714 6.080 3.438 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.876 5.152 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.955 2.950 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.673 4.167 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.178 3.673 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.193 3.618 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.498 4.363 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.540 5.321 2.578 1.00 0.00 H new ATOM 1100 N ILE A 66 -6.294 9.160 1.696 1.00 0.00 N ATOM 1101 CA ILE A 66 -5.469 10.343 1.839 1.00 0.00 C ATOM 1102 C ILE A 66 -6.297 11.540 2.327 1.00 0.00 C ATOM 1103 O ILE A 66 -7.406 11.774 1.847 1.00 0.00 O ATOM 1104 CB ILE A 66 -4.798 10.674 0.487 1.00 0.00 C ATOM 1105 CG1 ILE A 66 -3.571 9.786 0.277 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -4.420 12.138 0.402 1.00 0.00 C ATOM 1107 CD1 ILE A 66 -3.820 8.625 -0.662 1.00 0.00 C ATOM 0 H ILE A 66 -6.198 8.697 0.792 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.701 10.141 2.586 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.518 10.474 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.756 10.393 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.243 9.399 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.950 12.337 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.315 12.751 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.722 12.381 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.907 8.038 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.613 7.995 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.119 9.005 -1.639 1.00 0.00 H new ATOM 1119 N PRO A 67 -5.763 12.317 3.292 1.00 0.00 N ATOM 1120 CA PRO A 67 -6.456 13.490 3.835 1.00 0.00 C ATOM 1121 C PRO A 67 -6.722 14.547 2.768 1.00 0.00 C ATOM 1122 O PRO A 67 -6.157 14.491 1.677 1.00 0.00 O ATOM 1123 CB PRO A 67 -5.495 14.030 4.900 1.00 0.00 C ATOM 1124 CG PRO A 67 -4.167 13.448 4.560 1.00 0.00 C ATOM 1125 CD PRO A 67 -4.447 12.117 3.922 1.00 0.00 C ATOM 0 HA PRO A 67 -7.437 13.230 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.463 15.119 4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.810 13.734 5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.619 14.099 3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.553 13.331 5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.685 11.854 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.471 11.314 4.659 1.00 0.00 H new ATOM 1133 N LEU A 68 -7.589 15.502 3.085 1.00 0.00 N ATOM 1134 CA LEU A 68 -7.939 16.567 2.148 1.00 0.00 C ATOM 1135 C LEU A 68 -6.694 17.257 1.596 1.00 0.00 C ATOM 1136 O LEU A 68 -6.554 17.425 0.385 1.00 0.00 O ATOM 1137 CB LEU A 68 -8.845 17.594 2.827 1.00 0.00 C ATOM 1138 CG LEU A 68 -10.336 17.258 2.805 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -11.116 18.225 3.680 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -10.865 17.281 1.378 1.00 0.00 C ATOM 0 H LEU A 68 -8.064 15.562 3.986 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.472 16.112 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.529 17.705 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.699 18.560 2.344 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.468 16.253 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.175 17.969 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.755 18.159 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.978 19.241 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.928 17.040 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.719 18.274 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.327 16.546 0.779 1.00 0.00 H new ATOM 1152 N LYS A 69 -5.793 17.654 2.487 1.00 0.00 N ATOM 1153 CA LYS A 69 -4.561 18.323 2.077 1.00 0.00 C ATOM 1154 C LYS A 69 -3.779 17.457 1.095 1.00 0.00 C ATOM 1155 O LYS A 69 -3.552 17.842 -0.056 1.00 0.00 O ATOM 1156 CB LYS A 69 -3.697 18.639 3.299 1.00 0.00 C ATOM 1157 CG LYS A 69 -2.458 19.456 2.972 1.00 0.00 C ATOM 1158 CD LYS A 69 -1.771 19.953 4.233 1.00 0.00 C ATOM 1159 CE LYS A 69 -0.312 20.293 3.975 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.557 19.917 5.124 1.00 0.00 N ATOM 0 H LYS A 69 -5.890 17.526 3.494 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.828 19.256 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.298 19.182 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.392 17.704 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.763 18.849 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.735 20.306 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.290 20.835 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.836 19.190 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.028 19.776 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.217 21.362 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.544 20.165 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.249 20.430 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.486 18.893 5.292 1.00 0.00 H new ATOM 1174 N HIS A 70 -3.378 16.278 1.553 1.00 0.00 N ATOM 1175 CA HIS A 70 -2.633 15.351 0.714 1.00 0.00 C ATOM 1176 C HIS A 70 -3.455 14.965 -0.511 1.00 0.00 C ATOM 1177 O HIS A 70 -2.903 14.630 -1.557 1.00 0.00 O ATOM 1178 CB HIS A 70 -2.244 14.106 1.511 1.00 0.00 C ATOM 1179 CG HIS A 70 -1.148 14.348 2.500 1.00 0.00 C ATOM 1180 ND1 HIS A 70 -0.272 13.364 2.912 1.00 0.00 N ATOM 1181 CD2 HIS A 70 -0.785 15.472 3.165 1.00 0.00 C ATOM 1182 CE1 HIS A 70 0.578 13.873 3.787 1.00 0.00 C ATOM 1183 NE2 HIS A 70 0.289 15.149 3.955 1.00 0.00 N ATOM 0 H HIS A 70 -3.556 15.942 2.500 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.721 15.844 0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.122 13.733 2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.932 13.324 0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.254 16.442 3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.374 13.335 4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.784 15.792 4.573 1.00 0.00 H new ATOM 1192 N GLN A 71 -4.780 15.028 -0.376 1.00 0.00 N ATOM 1193 CA GLN A 71 -5.675 14.699 -1.477 1.00 0.00 C ATOM 1194 C GLN A 71 -5.424 15.639 -2.647 1.00 0.00 C ATOM 1195 O GLN A 71 -5.290 15.206 -3.792 1.00 0.00 O ATOM 1196 CB GLN A 71 -7.136 14.796 -1.029 1.00 0.00 C ATOM 1197 CG GLN A 71 -7.793 13.444 -0.799 1.00 0.00 C ATOM 1198 CD GLN A 71 -7.996 12.666 -2.084 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -7.275 12.863 -3.062 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -8.982 11.777 -2.088 1.00 0.00 N ATOM 0 H GLN A 71 -5.253 15.304 0.485 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.478 13.675 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.187 15.377 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.703 15.343 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.178 12.857 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.757 13.591 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.555 11.647 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.167 11.224 -2.925 1.00 0.00 H new ATOM 1209 N VAL A 72 -5.342 16.929 -2.344 1.00 0.00 N ATOM 1210 CA VAL A 72 -5.084 17.935 -3.362 1.00 0.00 C ATOM 1211 C VAL A 72 -3.724 17.693 -3.997 1.00 0.00 C ATOM 1212 O VAL A 72 -3.575 17.728 -5.220 1.00 0.00 O ATOM 1213 CB VAL A 72 -5.122 19.360 -2.776 1.00 0.00 C ATOM 1214 CG1 VAL A 72 -5.067 20.398 -3.886 1.00 0.00 C ATOM 1215 CG2 VAL A 72 -6.365 19.551 -1.919 1.00 0.00 C ATOM 0 H VAL A 72 -5.451 17.301 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.869 17.851 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.246 19.495 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.095 21.397 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.145 20.275 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.922 20.267 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.375 20.563 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.255 19.395 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.356 18.832 -1.100 1.00 0.00 H new ATOM 1225 N GLU A 73 -2.735 17.427 -3.151 1.00 0.00 N ATOM 1226 CA GLU A 73 -1.383 17.156 -3.622 1.00 0.00 C ATOM 1227 C GLU A 73 -1.349 15.852 -4.413 1.00 0.00 C ATOM 1228 O GLU A 73 -0.562 15.698 -5.347 1.00 0.00 O ATOM 1229 CB GLU A 73 -0.413 17.077 -2.441 1.00 0.00 C ATOM 1230 CG GLU A 73 1.049 17.170 -2.849 1.00 0.00 C ATOM 1231 CD GLU A 73 1.858 18.057 -1.921 1.00 0.00 C ATOM 1232 OE1 GLU A 73 1.278 19.003 -1.350 1.00 0.00 O ATOM 1233 OE2 GLU A 73 3.071 17.803 -1.767 1.00 0.00 O ATOM 0 H GLU A 73 -2.844 17.393 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.075 17.972 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.639 17.882 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.575 16.139 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.484 16.170 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.115 17.558 -3.865 1.00 0.00 H new ATOM 1240 N TYR A 74 -2.220 14.918 -4.035 1.00 0.00 N ATOM 1241 CA TYR A 74 -2.302 13.626 -4.708 1.00 0.00 C ATOM 1242 C TYR A 74 -2.717 13.803 -6.163 1.00 0.00 C ATOM 1243 O TYR A 74 -2.122 13.217 -7.067 1.00 0.00 O ATOM 1244 CB TYR A 74 -3.305 12.719 -3.988 1.00 0.00 C ATOM 1245 CG TYR A 74 -2.980 11.247 -4.089 1.00 0.00 C ATOM 1246 CD1 TYR A 74 -1.943 10.691 -3.348 1.00 0.00 C ATOM 1247 CD2 TYR A 74 -3.712 10.409 -4.921 1.00 0.00 C ATOM 1248 CE1 TYR A 74 -1.646 9.345 -3.434 1.00 0.00 C ATOM 1249 CE2 TYR A 74 -3.421 9.061 -5.013 1.00 0.00 C ATOM 1250 CZ TYR A 74 -2.387 8.534 -4.267 1.00 0.00 C ATOM 1251 OH TYR A 74 -2.098 7.192 -4.354 1.00 0.00 O ATOM 0 H TYR A 74 -2.879 15.034 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.316 13.162 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.345 13.001 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.298 12.891 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.360 11.323 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.522 10.818 -5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.837 8.930 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.000 8.424 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.851 6.970 -5.276 1.00 0.00 H new ATOM 1261 N ASP A 75 -3.740 14.620 -6.377 1.00 0.00 N ATOM 1262 CA ASP A 75 -4.241 14.886 -7.719 1.00 0.00 C ATOM 1263 C ASP A 75 -3.183 15.593 -8.558 1.00 0.00 C ATOM 1264 O ASP A 75 -2.990 15.271 -9.730 1.00 0.00 O ATOM 1265 CB ASP A 75 -5.511 15.737 -7.654 1.00 0.00 C ATOM 1266 CG ASP A 75 -6.486 15.408 -8.768 1.00 0.00 C ATOM 1267 OD1 ASP A 75 -7.098 14.321 -8.719 1.00 0.00 O ATOM 1268 OD2 ASP A 75 -6.637 16.238 -9.689 1.00 0.00 O ATOM 0 H ASP A 75 -4.240 15.111 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.478 13.932 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.999 15.584 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.242 16.792 -7.711 1.00 0.00 H new ATOM 1273 N GLN A 76 -2.498 16.555 -7.948 1.00 0.00 N ATOM 1274 CA GLN A 76 -1.458 17.306 -8.639 1.00 0.00 C ATOM 1275 C GLN A 76 -0.351 16.374 -9.125 1.00 0.00 C ATOM 1276 O GLN A 76 0.230 16.587 -10.190 1.00 0.00 O ATOM 1277 CB GLN A 76 -0.871 18.375 -7.715 1.00 0.00 C ATOM 1278 CG GLN A 76 -1.838 19.503 -7.397 1.00 0.00 C ATOM 1279 CD GLN A 76 -1.194 20.613 -6.591 1.00 0.00 C ATOM 1280 OE1 GLN A 76 -0.029 20.952 -6.799 1.00 0.00 O ATOM 1281 NE2 GLN A 76 -1.951 21.185 -5.661 1.00 0.00 N ATOM 0 H GLN A 76 -2.645 16.832 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.908 17.793 -9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.556 17.905 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.022 18.793 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.229 19.915 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.688 19.103 -6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.912 20.872 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.571 21.937 -5.086 1.00 0.00 H new ATOM 1290 N LEU A 77 -0.065 15.341 -8.339 1.00 0.00 N ATOM 1291 CA LEU A 77 0.969 14.375 -8.690 1.00 0.00 C ATOM 1292 C LEU A 77 0.411 13.281 -9.593 1.00 0.00 C ATOM 1293 O LEU A 77 1.115 12.754 -10.455 1.00 0.00 O ATOM 1294 CB LEU A 77 1.566 13.753 -7.425 1.00 0.00 C ATOM 1295 CG LEU A 77 2.324 14.727 -6.520 1.00 0.00 C ATOM 1296 CD1 LEU A 77 2.162 14.334 -5.060 1.00 0.00 C ATOM 1297 CD2 LEU A 77 3.795 14.770 -6.904 1.00 0.00 C ATOM 0 H LEU A 77 -0.535 15.152 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 77 1.753 14.903 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.761 13.296 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.243 12.951 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 77 1.904 15.724 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.708 15.038 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.105 14.353 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.557 13.330 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.321 15.467 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.228 13.775 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.891 15.098 -7.939 1.00 0.00 H new ATOM 1309 N THR A 78 -0.858 12.943 -9.391 1.00 0.00 N ATOM 1310 CA THR A 78 -1.512 11.912 -10.188 1.00 0.00 C ATOM 1311 C THR A 78 -2.163 12.514 -11.433 1.00 0.00 C ATOM 1312 O THR A 78 -3.135 13.261 -11.330 1.00 0.00 O ATOM 1313 CB THR A 78 -2.566 11.185 -9.350 1.00 0.00 C ATOM 1314 OG1 THR A 78 -3.650 12.047 -9.050 1.00 0.00 O ATOM 1315 CG2 THR A 78 -2.028 10.650 -8.042 1.00 0.00 C ATOM 0 H THR A 78 -1.454 13.369 -8.681 1.00 0.00 H new ATOM 0 HA THR A 78 -0.752 11.198 -10.507 1.00 0.00 H new ATOM 0 HB THR A 78 -2.889 10.342 -9.961 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.706 12.751 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.828 10.147 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.223 9.942 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.645 11.475 -7.442 1.00 0.00 H new ATOM 1323 N PRO A 79 -1.637 12.198 -12.630 1.00 0.00 N ATOM 1324 CA PRO A 79 -2.180 12.717 -13.891 1.00 0.00 C ATOM 1325 C PRO A 79 -3.673 12.439 -14.033 1.00 0.00 C ATOM 1326 O PRO A 79 -4.104 11.287 -14.022 1.00 0.00 O ATOM 1327 CB PRO A 79 -1.391 11.960 -14.961 1.00 0.00 C ATOM 1328 CG PRO A 79 -0.122 11.562 -14.291 1.00 0.00 C ATOM 1329 CD PRO A 79 -0.477 11.314 -12.852 1.00 0.00 C ATOM 0 HA PRO A 79 -2.082 13.800 -13.961 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -1.941 11.088 -15.315 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.199 12.590 -15.830 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.298 10.667 -14.750 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.629 12.347 -14.378 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.729 10.268 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.350 11.561 -12.186 1.00 0.00 H new ATOM 1337 N ARG A 80 -4.457 13.504 -14.166 1.00 0.00 N ATOM 1338 CA ARG A 80 -5.904 13.375 -14.310 1.00 0.00 C ATOM 1339 C ARG A 80 -6.490 14.593 -15.015 1.00 0.00 C ATOM 1340 O ARG A 80 -6.040 15.720 -14.807 1.00 0.00 O ATOM 1341 CB ARG A 80 -6.560 13.193 -12.940 1.00 0.00 C ATOM 1342 CG ARG A 80 -7.474 11.982 -12.859 1.00 0.00 C ATOM 1343 CD ARG A 80 -8.916 12.351 -13.168 1.00 0.00 C ATOM 1344 NE ARG A 80 -9.850 11.310 -12.745 1.00 0.00 N ATOM 1345 CZ ARG A 80 -10.249 11.139 -11.486 1.00 0.00 C ATOM 1346 NH1 ARG A 80 -9.800 11.938 -10.526 1.00 0.00 N ATOM 1347 NH2 ARG A 80 -11.100 10.168 -11.186 1.00 0.00 N ATOM 0 H ARG A 80 -4.116 14.465 -14.177 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.108 12.495 -14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.781 13.101 -12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.134 14.088 -12.700 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.134 11.220 -13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.415 11.546 -11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.166 13.287 -12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.025 12.522 -14.239 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.218 10.677 -13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.146 12.688 -10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.109 11.802 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.449 9.551 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.405 10.037 -10.222 1.00 0.00 H new TER 1361 ARG A 80 ATOM 1362 N GLY B 98 -5.744 11.707 11.135 1.00 0.00 N ATOM 1363 CA GLY B 98 -5.415 10.551 10.323 1.00 0.00 C ATOM 1364 C GLY B 98 -6.338 9.377 10.585 1.00 0.00 C ATOM 1365 O GLY B 98 -6.580 9.013 11.736 1.00 0.00 O ATOM 0 HA2 GLY B 98 -5.469 10.824 9.269 1.00 0.00 H new ATOM 0 HA3 GLY B 98 -4.386 10.252 10.522 1.00 0.00 H new ATOM 1369 N SER B 99 -6.856 8.783 9.514 1.00 0.00 N ATOM 1370 CA SER B 99 -7.759 7.644 9.633 1.00 0.00 C ATOM 1371 C SER B 99 -7.956 6.962 8.283 1.00 0.00 C ATOM 1372 O SER B 99 -7.305 7.316 7.300 1.00 0.00 O ATOM 1373 CB SER B 99 -9.109 8.094 10.193 1.00 0.00 C ATOM 1374 OG SER B 99 -9.643 7.125 11.079 1.00 0.00 O ATOM 0 H SER B 99 -6.666 9.072 8.554 1.00 0.00 H new ATOM 0 HA SER B 99 -7.310 6.926 10.319 1.00 0.00 H new ATOM 0 HB2 SER B 99 -8.991 9.043 10.716 1.00 0.00 H new ATOM 0 HB3 SER B 99 -9.807 8.266 9.374 1.00 0.00 H new ATOM 0 HG SER B 99 -10.505 7.437 11.424 1.00 0.00 H new ATOM 1380 N LEU B 100 -8.857 5.984 8.245 1.00 0.00 N ATOM 1381 CA LEU B 100 -9.148 5.243 7.018 1.00 0.00 C ATOM 1382 C LEU B 100 -7.966 4.366 6.607 1.00 0.00 C ATOM 1383 O LEU B 100 -8.086 3.142 6.534 1.00 0.00 O ATOM 1384 CB LEU B 100 -9.511 6.205 5.881 1.00 0.00 C ATOM 1385 CG LEU B 100 -10.999 6.256 5.527 1.00 0.00 C ATOM 1386 CD1 LEU B 100 -11.298 7.461 4.649 1.00 0.00 C ATOM 1387 CD2 LEU B 100 -11.425 4.969 4.835 1.00 0.00 C ATOM 0 H LEU B 100 -9.401 5.684 9.054 1.00 0.00 H new ATOM 0 HA LEU B 100 -10.001 4.594 7.217 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -9.184 7.208 6.155 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -8.951 5.919 4.991 1.00 0.00 H new ATOM 0 HG LEU B 100 -11.570 6.356 6.450 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -12.361 7.481 4.408 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -11.030 8.374 5.181 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -10.718 7.393 3.729 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -12.486 5.022 4.590 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -10.847 4.840 3.920 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -11.247 4.123 5.499 1.00 0.00 H new ATOM 1399 N LEU B 101 -6.825 4.996 6.340 1.00 0.00 N ATOM 1400 CA LEU B 101 -5.626 4.268 5.939 1.00 0.00 C ATOM 1401 C LEU B 101 -5.295 3.167 6.942 1.00 0.00 C ATOM 1402 O LEU B 101 -5.129 2.006 6.571 1.00 0.00 O ATOM 1403 CB LEU B 101 -4.442 5.232 5.810 1.00 0.00 C ATOM 1404 CG LEU B 101 -3.089 4.568 5.543 1.00 0.00 C ATOM 1405 CD1 LEU B 101 -3.018 4.055 4.113 1.00 0.00 C ATOM 1406 CD2 LEU B 101 -1.956 5.546 5.818 1.00 0.00 C ATOM 0 H LEU B 101 -6.706 6.008 6.394 1.00 0.00 H new ATOM 0 HA LEU B 101 -5.817 3.804 4.971 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -4.651 5.933 5.002 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -4.368 5.816 6.727 1.00 0.00 H new ATOM 0 HG LEU B 101 -2.982 3.717 6.216 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -2.049 3.586 3.942 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -3.809 3.323 3.949 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -3.145 4.888 3.421 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -1.000 5.059 5.624 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -2.060 6.415 5.168 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -1.996 5.865 6.859 1.00 0.00 H new ATOM 1418 N LYS B 102 -5.208 3.541 8.216 1.00 0.00 N ATOM 1419 CA LYS B 102 -4.902 2.587 9.277 1.00 0.00 C ATOM 1420 C LYS B 102 -5.908 1.441 9.287 1.00 0.00 C ATOM 1421 O LYS B 102 -5.573 0.310 9.642 1.00 0.00 O ATOM 1422 CB LYS B 102 -4.900 3.287 10.637 1.00 0.00 C ATOM 1423 CG LYS B 102 -4.431 2.398 11.777 1.00 0.00 C ATOM 1424 CD LYS B 102 -5.243 2.636 13.041 1.00 0.00 C ATOM 1425 CE LYS B 102 -4.518 3.563 14.001 1.00 0.00 C ATOM 1426 NZ LYS B 102 -3.513 2.836 14.825 1.00 0.00 N ATOM 0 H LYS B 102 -5.345 4.499 8.538 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.911 2.176 9.084 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.257 4.165 10.584 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.907 3.643 10.855 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -4.514 1.352 11.482 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.377 2.589 11.979 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.210 3.066 12.778 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -5.441 1.683 13.533 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -4.022 4.353 13.437 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.243 4.046 14.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -3.041 3.505 15.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.989 2.099 15.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -2.806 2.396 14.202 1.00 0.00 H new ATOM 1440 N GLU B 103 -7.141 1.742 8.898 1.00 0.00 N ATOM 1441 CA GLU B 103 -8.198 0.739 8.864 1.00 0.00 C ATOM 1442 C GLU B 103 -7.925 -0.305 7.788 1.00 0.00 C ATOM 1443 O GLU B 103 -8.187 -1.492 7.980 1.00 0.00 O ATOM 1444 CB GLU B 103 -9.554 1.405 8.619 1.00 0.00 C ATOM 1445 CG GLU B 103 -10.387 1.574 9.879 1.00 0.00 C ATOM 1446 CD GLU B 103 -9.857 2.664 10.789 1.00 0.00 C ATOM 1447 OE1 GLU B 103 -9.131 3.551 10.292 1.00 0.00 O ATOM 1448 OE2 GLU B 103 -10.169 2.632 11.997 1.00 0.00 O ATOM 0 H GLU B 103 -7.434 2.673 8.602 1.00 0.00 H new ATOM 0 HA GLU B 103 -8.219 0.236 9.831 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -9.392 2.384 8.167 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -10.116 0.810 7.899 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -11.415 1.806 9.601 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -10.409 0.630 10.424 1.00 0.00 H new ATOM 1455 N VAL B 104 -7.403 0.144 6.652 1.00 0.00 N ATOM 1456 CA VAL B 104 -7.098 -0.756 5.545 1.00 0.00 C ATOM 1457 C VAL B 104 -5.903 -1.649 5.864 1.00 0.00 C ATOM 1458 O VAL B 104 -5.860 -2.809 5.457 1.00 0.00 O ATOM 1459 CB VAL B 104 -6.826 0.018 4.240 1.00 0.00 C ATOM 1460 CG1 VAL B 104 -6.683 -0.942 3.067 1.00 0.00 C ATOM 1461 CG2 VAL B 104 -7.937 1.023 3.978 1.00 0.00 C ATOM 0 H VAL B 104 -7.182 1.124 6.473 1.00 0.00 H new ATOM 0 HA VAL B 104 -7.979 -1.382 5.403 1.00 0.00 H new ATOM 0 HB VAL B 104 -5.888 0.562 4.351 1.00 0.00 H new ATOM 0 HG11 VAL B 104 -6.491 -0.376 2.155 1.00 0.00 H new ATOM 0 HG12 VAL B 104 -5.852 -1.623 3.253 1.00 0.00 H new ATOM 0 HG13 VAL B 104 -7.603 -1.515 2.952 1.00 0.00 H new ATOM 0 HG21 VAL B 104 -7.730 1.561 3.053 1.00 0.00 H new ATOM 0 HG22 VAL B 104 -8.888 0.498 3.888 1.00 0.00 H new ATOM 0 HG23 VAL B 104 -7.990 1.731 4.805 1.00 0.00 H new ATOM 1471 N LEU B 105 -4.937 -1.106 6.600 1.00 0.00 N ATOM 1472 CA LEU B 105 -3.748 -1.872 6.973 1.00 0.00 C ATOM 1473 C LEU B 105 -4.119 -2.996 7.933 1.00 0.00 C ATOM 1474 O LEU B 105 -3.680 -4.135 7.772 1.00 0.00 O ATOM 1475 CB LEU B 105 -2.687 -0.971 7.620 1.00 0.00 C ATOM 1476 CG LEU B 105 -2.692 0.492 7.170 1.00 0.00 C ATOM 1477 CD1 LEU B 105 -1.456 1.211 7.685 1.00 0.00 C ATOM 1478 CD2 LEU B 105 -2.773 0.588 5.654 1.00 0.00 C ATOM 0 H LEU B 105 -4.952 -0.147 6.948 1.00 0.00 H new ATOM 0 HA LEU B 105 -3.330 -2.299 6.061 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -2.823 -1.000 8.701 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.704 -1.392 7.412 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.573 0.977 7.590 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.476 2.250 7.356 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.442 1.176 8.774 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.563 0.724 7.295 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.775 1.636 5.355 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.913 0.086 5.211 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.689 0.110 5.308 1.00 0.00 H new ATOM 1490 N GLU B 106 -4.932 -2.666 8.931 1.00 0.00 N ATOM 1491 CA GLU B 106 -5.366 -3.644 9.921 1.00 0.00 C ATOM 1492 C GLU B 106 -6.393 -4.599 9.322 1.00 0.00 C ATOM 1493 O GLU B 106 -6.442 -5.777 9.677 1.00 0.00 O ATOM 1494 CB GLU B 106 -5.960 -2.939 11.142 1.00 0.00 C ATOM 1495 CG GLU B 106 -4.916 -2.486 12.149 1.00 0.00 C ATOM 1496 CD GLU B 106 -5.472 -2.378 13.555 1.00 0.00 C ATOM 1497 OE1 GLU B 106 -6.603 -1.869 13.707 1.00 0.00 O ATOM 1498 OE2 GLU B 106 -4.779 -2.800 14.503 1.00 0.00 O ATOM 0 H GLU B 106 -5.304 -1.727 9.075 1.00 0.00 H new ATOM 0 HA GLU B 106 -4.495 -4.220 10.233 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -6.532 -2.073 10.809 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -6.661 -3.613 11.635 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -4.083 -3.189 12.145 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -4.518 -1.518 11.844 1.00 0.00 H new ATOM 1505 N ASP B 107 -7.213 -4.083 8.411 1.00 0.00 N ATOM 1506 CA ASP B 107 -8.239 -4.889 7.762 1.00 0.00 C ATOM 1507 C ASP B 107 -7.616 -6.075 7.035 1.00 0.00 C ATOM 1508 O ASP B 107 -8.043 -7.217 7.206 1.00 0.00 O ATOM 1509 CB ASP B 107 -9.045 -4.036 6.780 1.00 0.00 C ATOM 1510 CG ASP B 107 -10.263 -3.406 7.427 1.00 0.00 C ATOM 1511 OD1 ASP B 107 -10.289 -3.305 8.671 1.00 0.00 O ATOM 1512 OD2 ASP B 107 -11.192 -3.017 6.688 1.00 0.00 O ATOM 0 H ASP B 107 -7.186 -3.110 8.106 1.00 0.00 H new ATOM 0 HA ASP B 107 -8.910 -5.269 8.532 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -8.406 -3.252 6.374 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -9.362 -4.655 5.941 1.00 0.00 H new ATOM 1517 N TYR B 108 -6.603 -5.793 6.227 1.00 0.00 N ATOM 1518 CA TYR B 108 -5.914 -6.833 5.471 1.00 0.00 C ATOM 1519 C TYR B 108 -4.999 -7.645 6.382 1.00 0.00 C ATOM 1520 O TYR B 108 -4.965 -8.875 6.314 1.00 0.00 O ATOM 1521 CB TYR B 108 -5.099 -6.214 4.334 1.00 0.00 C ATOM 1522 CG TYR B 108 -5.083 -7.045 3.068 1.00 0.00 C ATOM 1523 CD1 TYR B 108 -5.084 -8.434 3.121 1.00 0.00 C ATOM 1524 CD2 TYR B 108 -5.064 -6.437 1.819 1.00 0.00 C ATOM 1525 CE1 TYR B 108 -5.068 -9.193 1.966 1.00 0.00 C ATOM 1526 CE2 TYR B 108 -5.049 -7.190 0.660 1.00 0.00 C ATOM 1527 CZ TYR B 108 -5.050 -8.567 0.739 1.00 0.00 C ATOM 1528 OH TYR B 108 -5.034 -9.318 -0.414 1.00 0.00 O ATOM 0 H TYR B 108 -6.239 -4.852 6.077 1.00 0.00 H new ATOM 0 HA TYR B 108 -6.666 -7.499 5.047 1.00 0.00 H new ATOM 0 HB2 TYR B 108 -5.504 -5.228 4.105 1.00 0.00 H new ATOM 0 HB3 TYR B 108 -4.074 -6.067 4.673 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -5.098 -8.929 4.081 1.00 0.00 H new ATOM 0 HD2 TYR B 108 -5.061 -5.359 1.753 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -5.070 -10.271 2.025 1.00 0.00 H new ATOM 0 HE2 TYR B 108 -5.037 -6.702 -0.303 1.00 0.00 H new ATOM 0 HH TYR B 108 -5.024 -8.722 -1.192 1.00 0.00 H new ATOM 1538 N LEU B 109 -4.260 -6.945 7.236 1.00 0.00 N ATOM 1539 CA LEU B 109 -3.340 -7.594 8.166 1.00 0.00 C ATOM 1540 C LEU B 109 -4.043 -8.695 8.949 1.00 0.00 C ATOM 1541 O LEU B 109 -3.489 -9.772 9.161 1.00 0.00 O ATOM 1542 CB LEU B 109 -2.745 -6.564 9.129 1.00 0.00 C ATOM 1543 CG LEU B 109 -1.442 -5.915 8.660 1.00 0.00 C ATOM 1544 CD1 LEU B 109 -1.270 -4.541 9.291 1.00 0.00 C ATOM 1545 CD2 LEU B 109 -0.254 -6.807 8.989 1.00 0.00 C ATOM 0 H LEU B 109 -4.279 -5.927 7.304 1.00 0.00 H new ATOM 0 HA LEU B 109 -2.535 -8.046 7.586 1.00 0.00 H new ATOM 0 HB2 LEU B 109 -3.483 -5.780 9.299 1.00 0.00 H new ATOM 0 HB3 LEU B 109 -2.567 -7.048 10.089 1.00 0.00 H new ATOM 0 HG LEU B 109 -1.490 -5.791 7.578 1.00 0.00 H new ATOM 0 HD11 LEU B 109 -0.337 -4.096 8.945 1.00 0.00 H new ATOM 0 HD12 LEU B 109 -2.105 -3.902 9.005 1.00 0.00 H new ATOM 0 HD13 LEU B 109 -1.244 -4.640 10.376 1.00 0.00 H new ATOM 0 HD21 LEU B 109 0.665 -6.330 8.648 1.00 0.00 H new ATOM 0 HD22 LEU B 109 -0.204 -6.963 10.067 1.00 0.00 H new ATOM 0 HD23 LEU B 109 -0.371 -7.768 8.488 1.00 0.00 H new ATOM 1557 N ARG B 110 -5.265 -8.418 9.378 1.00 0.00 N ATOM 1558 CA ARG B 110 -6.041 -9.391 10.132 1.00 0.00 C ATOM 1559 C ARG B 110 -6.628 -10.450 9.213 1.00 0.00 C ATOM 1560 O ARG B 110 -6.633 -11.636 9.543 1.00 0.00 O ATOM 1561 CB ARG B 110 -7.152 -8.700 10.926 1.00 0.00 C ATOM 1562 CG ARG B 110 -6.640 -7.891 12.107 1.00 0.00 C ATOM 1563 CD ARG B 110 -7.468 -8.141 13.359 1.00 0.00 C ATOM 1564 NE ARG B 110 -6.637 -8.221 14.558 1.00 0.00 N ATOM 1565 CZ ARG B 110 -7.111 -8.117 15.797 1.00 0.00 C ATOM 1566 NH1 ARG B 110 -8.409 -7.930 16.004 1.00 0.00 N ATOM 1567 NH2 ARG B 110 -6.287 -8.203 16.831 1.00 0.00 N ATOM 0 H ARG B 110 -5.740 -7.530 9.217 1.00 0.00 H new ATOM 0 HA ARG B 110 -5.368 -9.883 10.834 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -7.709 -8.042 10.259 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -7.852 -9.453 11.288 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -5.599 -8.149 12.301 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -6.665 -6.830 11.860 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -8.198 -7.340 13.477 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -8.028 -9.069 13.244 1.00 0.00 H new ATOM 0 HE ARG B 110 -5.634 -8.365 14.438 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -9.048 -7.865 15.211 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -8.767 -7.851 16.956 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -5.289 -8.349 16.677 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -6.650 -8.123 17.781 1.00 0.00 H new ATOM 1581 N LEU B 111 -7.110 -10.020 8.057 1.00 0.00 N ATOM 1582 CA LEU B 111 -7.686 -10.941 7.091 1.00 0.00 C ATOM 1583 C LEU B 111 -6.666 -12.004 6.689 1.00 0.00 C ATOM 1584 O LEU B 111 -7.033 -13.069 6.193 1.00 0.00 O ATOM 1585 CB LEU B 111 -8.171 -10.181 5.853 1.00 0.00 C ATOM 1586 CG LEU B 111 -9.577 -10.553 5.377 1.00 0.00 C ATOM 1587 CD1 LEU B 111 -10.622 -10.060 6.365 1.00 0.00 C ATOM 1588 CD2 LEU B 111 -9.838 -9.981 3.992 1.00 0.00 C ATOM 0 H LEU B 111 -7.114 -9.042 7.766 1.00 0.00 H new ATOM 0 HA LEU B 111 -8.539 -11.436 7.555 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -8.147 -9.113 6.068 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -7.469 -10.358 5.038 1.00 0.00 H new ATOM 0 HG LEU B 111 -9.646 -11.639 5.319 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -11.616 -10.333 6.010 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -10.446 -10.517 7.339 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -10.555 -8.976 6.455 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -10.842 -10.255 3.669 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -9.751 -8.895 4.025 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -9.108 -10.383 3.289 1.00 0.00 H new ATOM 1600 N LYS B 112 -5.385 -11.712 6.912 1.00 0.00 N ATOM 1601 CA LYS B 112 -4.325 -12.656 6.575 1.00 0.00 C ATOM 1602 C LYS B 112 -3.830 -13.395 7.814 1.00 0.00 C ATOM 1603 O LYS B 112 -3.278 -14.491 7.714 1.00 0.00 O ATOM 1604 CB LYS B 112 -3.160 -11.951 5.869 1.00 0.00 C ATOM 1605 CG LYS B 112 -2.582 -10.776 6.638 1.00 0.00 C ATOM 1606 CD LYS B 112 -1.611 -11.234 7.714 1.00 0.00 C ATOM 1607 CE LYS B 112 -0.595 -10.152 8.045 1.00 0.00 C ATOM 1608 NZ LYS B 112 0.049 -9.600 6.822 1.00 0.00 N ATOM 0 H LYS B 112 -5.060 -10.836 7.321 1.00 0.00 H new ATOM 0 HA LYS B 112 -4.746 -13.389 5.888 1.00 0.00 H new ATOM 0 HB2 LYS B 112 -2.367 -12.677 5.688 1.00 0.00 H new ATOM 0 HB3 LYS B 112 -3.500 -11.601 4.894 1.00 0.00 H new ATOM 0 HG2 LYS B 112 -2.071 -10.105 5.948 1.00 0.00 H new ATOM 0 HG3 LYS B 112 -3.391 -10.207 7.096 1.00 0.00 H new ATOM 0 HD2 LYS B 112 -2.164 -11.503 8.614 1.00 0.00 H new ATOM 0 HD3 LYS B 112 -1.092 -12.132 7.379 1.00 0.00 H new ATOM 0 HE2 LYS B 112 -1.087 -9.347 8.591 1.00 0.00 H new ATOM 0 HE3 LYS B 112 0.170 -10.562 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 1.002 -9.256 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 0.118 -10.345 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 -0.522 -8.813 6.454 1.00 0.00 H new ATOM 1622 N LYS B 113 -4.030 -12.790 8.981 1.00 0.00 N ATOM 1623 CA LYS B 113 -3.601 -13.396 10.238 1.00 0.00 C ATOM 1624 C LYS B 113 -4.550 -14.514 10.655 1.00 0.00 C ATOM 1625 O LYS B 113 -5.772 -14.260 10.713 1.00 0.00 O ATOM 1626 CB LYS B 113 -3.527 -12.336 11.339 1.00 0.00 C ATOM 1627 CG LYS B 113 -2.203 -11.590 11.379 1.00 0.00 C ATOM 1628 CD LYS B 113 -2.067 -10.756 12.643 1.00 0.00 C ATOM 1629 CE LYS B 113 -1.728 -9.307 12.323 1.00 0.00 C ATOM 1630 NZ LYS B 113 -0.273 -9.123 12.062 1.00 0.00 N ATOM 1631 OXT LYS B 113 -4.065 -15.633 10.919 1.00 0.00 O ATOM 0 H LYS B 113 -4.485 -11.883 9.083 1.00 0.00 H new ATOM 0 HA LYS B 113 -2.610 -13.824 10.087 1.00 0.00 H new ATOM 0 HB2 LYS B 113 -4.335 -11.618 11.195 1.00 0.00 H new ATOM 0 HB3 LYS B 113 -3.694 -12.815 12.304 1.00 0.00 H new ATOM 0 HG2 LYS B 113 -1.381 -12.304 11.323 1.00 0.00 H new ATOM 0 HG3 LYS B 113 -2.123 -10.943 10.505 1.00 0.00 H new ATOM 0 HD2 LYS B 113 -2.998 -10.796 13.208 1.00 0.00 H new ATOM 0 HD3 LYS B 113 -1.290 -11.181 13.278 1.00 0.00 H new ATOM 0 HE2 LYS B 113 -2.297 -8.985 11.451 1.00 0.00 H new ATOM 0 HE3 LYS B 113 -2.031 -8.671 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 113 -0.074 -8.115 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 113 0.272 -9.454 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 113 0.001 -9.671 11.222 1.00 0.00 H new TER 1645 LYS B 113