USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 77 ASN : amide:sc= -0.572 X(o=-1.9,f=-1.9) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.29 K(o=-1.9,f=-2.8) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -130:sc= -1.12 (180deg=-3.44!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= -0.0932 (180deg=-0.0932) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.847 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.82 K(o=-2.8,f=-2.2!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.272 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.79! C(o=-3.8!,f=-15!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.5!) USER MOD Single : A 27 SER OG : rot 57:sc= 0.315 USER MOD Single : A 28 ASN : amide:sc= -4.02! C(o=-4!,f=-3.9!) USER MOD Single : A 30 THR OG1 : rot -39:sc= 0.996 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.97! K(o=-3!,f=-0.0013) USER MOD Single : A 64 ASN : amide:sc= -7.67! C(o=-7.7!,f=-9.5!) USER MOD Single : A 65 THR OG1 : rot -135:sc= -0.606! USER MOD Single : A 67 GLN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.03 K(o=-1,f=-2.5) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.222 (180deg=0.203) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0198 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.703 10.295 -2.063 1.00 0.00 N ATOM 2 CA LEU A 1 -3.237 9.126 -2.802 1.00 0.00 C ATOM 3 C LEU A 1 -1.730 8.952 -2.651 1.00 0.00 C ATOM 4 O LEU A 1 -0.961 9.295 -3.550 1.00 0.00 O ATOM 5 CB LEU A 1 -3.602 9.256 -4.282 1.00 0.00 C ATOM 6 CG LEU A 1 -3.335 8.025 -5.149 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.602 7.199 -5.309 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.791 8.439 -6.509 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.732 10.393 -2.181 1.00 0.00 H new ATOM 0 H2 LEU A 1 -3.480 10.180 -1.054 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.230 11.147 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 1 -3.728 8.245 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.661 9.504 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -3.049 10.097 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 1 -2.585 7.410 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.392 6.327 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.949 6.872 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.374 7.805 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.607 7.551 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -3.518 9.076 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.858 8.987 -6.376 1.00 0.00 H new ATOM 20 N LYS A 2 -1.312 8.415 -1.510 1.00 0.00 N ATOM 21 CA LYS A 2 0.103 8.192 -1.241 1.00 0.00 C ATOM 22 C LYS A 2 0.391 6.707 -1.040 1.00 0.00 C ATOM 23 O LYS A 2 0.951 6.050 -1.917 1.00 0.00 O ATOM 24 CB LYS A 2 0.539 8.978 -0.003 1.00 0.00 C ATOM 25 CG LYS A 2 0.443 10.484 -0.174 1.00 0.00 C ATOM 26 CD LYS A 2 -0.800 11.044 0.498 1.00 0.00 C ATOM 27 CE LYS A 2 -0.607 12.496 0.907 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.757 13.423 -0.249 1.00 0.00 N ATOM 0 H LYS A 2 -1.935 8.126 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 2 0.670 8.541 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.077 8.677 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.568 8.713 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.330 10.956 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.426 10.730 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.649 10.966 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.040 10.446 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.333 12.756 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.383 12.621 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.618 14.403 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.048 13.192 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.710 13.323 -0.653 1.00 0.00 H new ATOM 42 N SER A 3 0.002 6.185 0.119 1.00 0.00 N ATOM 43 CA SER A 3 0.220 4.778 0.435 1.00 0.00 C ATOM 44 C SER A 3 -0.734 4.313 1.530 1.00 0.00 C ATOM 45 O SER A 3 -1.347 3.250 1.427 1.00 0.00 O ATOM 46 CB SER A 3 1.668 4.551 0.874 1.00 0.00 C ATOM 47 OG SER A 3 2.475 5.676 0.572 1.00 0.00 O ATOM 0 H SER A 3 -0.466 6.715 0.854 1.00 0.00 H new ATOM 0 HA SER A 3 0.025 4.194 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.700 4.354 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.068 3.668 0.376 1.00 0.00 H new ATOM 0 HG SER A 3 3.395 5.506 0.864 1.00 0.00 H new ATOM 53 N THR A 4 -0.855 5.118 2.582 1.00 0.00 N ATOM 54 CA THR A 4 -1.733 4.790 3.698 1.00 0.00 C ATOM 55 C THR A 4 -3.186 4.696 3.246 1.00 0.00 C ATOM 56 O THR A 4 -3.989 3.982 3.847 1.00 0.00 O ATOM 57 CB THR A 4 -1.625 5.836 4.824 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.396 5.419 5.956 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.110 7.197 4.347 1.00 0.00 C ATOM 0 H THR A 4 -0.356 6.002 2.684 1.00 0.00 H new ATOM 0 HA THR A 4 -1.410 3.821 4.079 1.00 0.00 H new ATOM 0 HB THR A 4 -0.577 5.922 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.321 6.089 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.024 7.919 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.502 7.525 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.152 7.123 4.036 1.00 0.00 H new ATOM 67 N PHE A 5 -3.518 5.420 2.182 1.00 0.00 N ATOM 68 CA PHE A 5 -4.875 5.418 1.649 1.00 0.00 C ATOM 69 C PHE A 5 -5.408 3.994 1.523 1.00 0.00 C ATOM 70 O PHE A 5 -6.602 3.749 1.696 1.00 0.00 O ATOM 71 CB PHE A 5 -4.911 6.111 0.285 1.00 0.00 C ATOM 72 CG PHE A 5 -6.079 7.040 0.115 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.341 6.676 0.556 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.914 8.279 -0.484 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.417 7.529 0.400 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.986 9.136 -0.642 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.239 8.761 -0.199 1.00 0.00 C ATOM 0 H PHE A 5 -2.866 6.016 1.672 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.512 5.965 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.987 6.673 0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.943 5.353 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.485 5.715 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.936 8.578 -0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.396 7.233 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.844 10.098 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.078 9.430 -0.321 1.00 0.00 H new ATOM 87 N ASP A 6 -4.514 3.059 1.220 1.00 0.00 N ATOM 88 CA ASP A 6 -4.893 1.659 1.072 1.00 0.00 C ATOM 89 C ASP A 6 -5.592 1.149 2.328 1.00 0.00 C ATOM 90 O ASP A 6 -6.813 0.990 2.350 1.00 0.00 O ATOM 91 CB ASP A 6 -3.660 0.804 0.776 1.00 0.00 C ATOM 92 CG ASP A 6 -3.385 0.679 -0.710 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.331 0.373 -1.464 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.222 0.886 -1.117 1.00 0.00 O ATOM 0 H ASP A 6 -3.522 3.245 1.072 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.588 1.583 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.791 1.242 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.800 -0.190 1.201 1.00 0.00 H new ATOM 99 N ASP A 7 -4.811 0.892 3.371 1.00 0.00 N ATOM 100 CA ASP A 7 -5.354 0.400 4.631 1.00 0.00 C ATOM 101 C ASP A 7 -6.505 1.281 5.108 1.00 0.00 C ATOM 102 O ASP A 7 -7.440 0.803 5.750 1.00 0.00 O ATOM 103 CB ASP A 7 -4.260 0.348 5.698 1.00 0.00 C ATOM 104 CG ASP A 7 -3.529 -0.980 5.713 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.561 -1.686 4.683 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.925 -1.314 6.754 1.00 0.00 O ATOM 0 H ASP A 7 -3.799 1.016 3.369 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.736 -0.607 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.545 1.151 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.703 0.527 6.678 1.00 0.00 H new ATOM 111 N ILE A 8 -6.428 2.569 4.790 1.00 0.00 N ATOM 112 CA ILE A 8 -7.463 3.516 5.186 1.00 0.00 C ATOM 113 C ILE A 8 -8.761 3.260 4.429 1.00 0.00 C ATOM 114 O ILE A 8 -9.854 3.442 4.967 1.00 0.00 O ATOM 115 CB ILE A 8 -7.018 4.970 4.941 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.067 5.429 6.049 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.229 5.888 4.862 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.494 6.810 5.821 1.00 0.00 C ATOM 0 H ILE A 8 -5.660 2.980 4.260 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.633 3.371 6.253 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.488 5.017 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.599 5.418 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.248 4.714 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.899 6.912 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.873 5.571 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.784 5.840 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.830 7.069 6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.934 6.822 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.305 7.536 5.767 1.00 0.00 H new ATOM 130 N LYS A 9 -8.636 2.834 3.176 1.00 0.00 N ATOM 131 CA LYS A 9 -9.798 2.548 2.344 1.00 0.00 C ATOM 132 C LYS A 9 -10.485 1.262 2.792 1.00 0.00 C ATOM 133 O LYS A 9 -11.677 1.066 2.552 1.00 0.00 O ATOM 134 CB LYS A 9 -9.384 2.433 0.875 1.00 0.00 C ATOM 135 CG LYS A 9 -9.134 1.005 0.424 1.00 0.00 C ATOM 136 CD LYS A 9 -8.171 0.952 -0.751 1.00 0.00 C ATOM 137 CE LYS A 9 -7.494 -0.406 -0.856 1.00 0.00 C ATOM 138 NZ LYS A 9 -7.617 -0.982 -2.224 1.00 0.00 N ATOM 0 H LYS A 9 -7.740 2.679 2.714 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.503 3.372 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.163 2.871 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.480 3.020 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.729 0.426 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.079 0.541 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.710 1.163 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.415 1.729 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.440 -0.307 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.938 -1.090 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.143 -1.907 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.623 -1.100 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.171 -0.342 -2.912 1.00 0.00 H new ATOM 152 N LYS A 10 -9.727 0.388 3.445 1.00 0.00 N ATOM 153 CA LYS A 10 -10.262 -0.879 3.930 1.00 0.00 C ATOM 154 C LYS A 10 -11.060 -0.677 5.214 1.00 0.00 C ATOM 155 O LYS A 10 -12.160 -1.209 5.362 1.00 0.00 O ATOM 156 CB LYS A 10 -9.127 -1.876 4.173 1.00 0.00 C ATOM 157 CG LYS A 10 -8.004 -1.780 3.155 1.00 0.00 C ATOM 158 CD LYS A 10 -7.159 -3.042 3.135 1.00 0.00 C ATOM 159 CE LYS A 10 -7.567 -3.968 1.999 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.385 -4.587 1.337 1.00 0.00 N ATOM 0 H LYS A 10 -8.739 0.534 3.651 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.930 -1.278 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.717 -1.711 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.534 -2.887 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.424 -1.607 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.373 -0.922 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.107 -2.775 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.261 -3.564 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.219 -4.752 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.144 -3.408 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.705 -5.211 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.776 -3.840 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.848 -5.143 2.033 1.00 0.00 H new ATOM 174 N ILE A 11 -10.498 0.095 6.139 1.00 0.00 N ATOM 175 CA ILE A 11 -11.159 0.368 7.409 1.00 0.00 C ATOM 176 C ILE A 11 -12.437 1.175 7.201 1.00 0.00 C ATOM 177 O ILE A 11 -13.448 0.935 7.862 1.00 0.00 O ATOM 178 CB ILE A 11 -10.233 1.134 8.372 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.736 2.425 7.718 1.00 0.00 C ATOM 180 CG2 ILE A 11 -9.059 0.259 8.786 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.722 3.174 8.553 1.00 0.00 C ATOM 0 H ILE A 11 -9.587 0.542 6.032 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.409 -0.597 7.849 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.800 1.396 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.293 2.186 6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.588 3.077 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.414 0.814 9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.430 -0.635 9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.491 -0.030 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.414 4.078 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.168 3.445 9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.852 2.540 8.724 1.00 0.00 H new ATOM 193 N ILE A 12 -12.384 2.130 6.279 1.00 0.00 N ATOM 194 CA ILE A 12 -13.538 2.969 5.983 1.00 0.00 C ATOM 195 C ILE A 12 -14.575 2.209 5.162 1.00 0.00 C ATOM 196 O ILE A 12 -15.773 2.470 5.262 1.00 0.00 O ATOM 197 CB ILE A 12 -13.127 4.241 5.218 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.560 3.876 3.845 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.111 5.038 6.022 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.523 4.129 2.706 1.00 0.00 C ATOM 0 H ILE A 12 -11.555 2.342 5.724 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.974 3.255 6.940 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.012 4.861 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.649 4.449 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.279 2.823 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.831 5.934 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.548 5.325 6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.225 4.427 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.054 3.847 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.425 3.535 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.785 5.187 2.679 1.00 0.00 H new ATOM 212 N SER A 13 -14.104 1.265 4.353 1.00 0.00 N ATOM 213 CA SER A 13 -14.990 0.467 3.513 1.00 0.00 C ATOM 214 C SER A 13 -15.777 -0.535 4.353 1.00 0.00 C ATOM 215 O SER A 13 -16.891 -0.921 3.997 1.00 0.00 O ATOM 216 CB SER A 13 -14.185 -0.269 2.441 1.00 0.00 C ATOM 217 OG SER A 13 -14.982 -1.236 1.779 1.00 0.00 O ATOM 0 H SER A 13 -13.115 1.034 4.261 1.00 0.00 H new ATOM 0 HA SER A 13 -15.696 1.141 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.799 0.447 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.323 -0.755 2.898 1.00 0.00 H new ATOM 0 HG SER A 13 -14.445 -1.692 1.098 1.00 0.00 H new ATOM 223 N LYS A 14 -15.190 -0.952 5.469 1.00 0.00 N ATOM 224 CA LYS A 14 -15.835 -1.908 6.362 1.00 0.00 C ATOM 225 C LYS A 14 -16.537 -1.192 7.511 1.00 0.00 C ATOM 226 O LYS A 14 -17.453 -1.737 8.126 1.00 0.00 O ATOM 227 CB LYS A 14 -14.804 -2.894 6.916 1.00 0.00 C ATOM 228 CG LYS A 14 -15.421 -4.062 7.666 1.00 0.00 C ATOM 229 CD LYS A 14 -15.301 -3.884 9.170 1.00 0.00 C ATOM 230 CE LYS A 14 -14.304 -4.865 9.769 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.902 -4.522 9.405 1.00 0.00 N ATOM 0 H LYS A 14 -14.268 -0.643 5.777 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.582 -2.456 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.203 -3.279 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.127 -2.362 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.472 -4.157 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.929 -4.988 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.988 -2.864 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.277 -4.027 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.407 -4.870 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.533 -5.873 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.253 -5.214 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.797 -4.542 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.675 -3.570 9.758 1.00 0.00 H new ATOM 245 N GLN A 15 -16.103 0.033 7.792 1.00 0.00 N ATOM 246 CA GLN A 15 -16.691 0.823 8.867 1.00 0.00 C ATOM 247 C GLN A 15 -17.802 1.723 8.336 1.00 0.00 C ATOM 248 O GLN A 15 -18.956 1.613 8.751 1.00 0.00 O ATOM 249 CB GLN A 15 -15.618 1.669 9.554 1.00 0.00 C ATOM 250 CG GLN A 15 -16.069 2.270 10.875 1.00 0.00 C ATOM 251 CD GLN A 15 -16.573 1.224 11.850 1.00 0.00 C ATOM 252 OE1 GLN A 15 -15.956 0.173 12.024 1.00 0.00 O ATOM 253 NE2 GLN A 15 -17.699 1.507 12.493 1.00 0.00 N ATOM 0 H GLN A 15 -15.347 0.499 7.290 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.122 0.135 9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.737 1.052 9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.317 2.473 8.883 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.237 2.811 11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.859 2.998 10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.178 2.390 12.318 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.085 0.841 13.162 1.00 0.00 H new ATOM 262 N LEU A 16 -17.446 2.612 7.415 1.00 0.00 N ATOM 263 CA LEU A 16 -18.413 3.532 6.827 1.00 0.00 C ATOM 264 C LEU A 16 -18.976 2.971 5.524 1.00 0.00 C ATOM 265 O LEU A 16 -19.644 3.678 4.770 1.00 0.00 O ATOM 266 CB LEU A 16 -17.762 4.892 6.570 1.00 0.00 C ATOM 267 CG LEU A 16 -16.992 5.500 7.743 1.00 0.00 C ATOM 268 CD1 LEU A 16 -15.708 6.154 7.257 1.00 0.00 C ATOM 269 CD2 LEU A 16 -17.858 6.507 8.485 1.00 0.00 C ATOM 0 H LEU A 16 -16.495 2.715 7.060 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.234 3.657 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.079 4.792 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.540 5.594 6.269 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.729 4.699 8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.173 6.581 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.080 5.407 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.949 6.944 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.294 6.929 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.153 7.305 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -18.749 6.009 8.867 1.00 0.00 H new ATOM 281 N SER A 17 -18.703 1.696 5.269 1.00 0.00 N ATOM 282 CA SER A 17 -19.180 1.040 4.057 1.00 0.00 C ATOM 283 C SER A 17 -18.378 1.494 2.841 1.00 0.00 C ATOM 284 O SER A 17 -17.750 0.685 2.159 1.00 0.00 O ATOM 285 CB SER A 17 -20.665 1.336 3.843 1.00 0.00 C ATOM 286 OG SER A 17 -21.351 1.430 5.079 1.00 0.00 O ATOM 0 H SER A 17 -18.154 1.096 5.885 1.00 0.00 H new ATOM 0 HA SER A 17 -19.045 -0.035 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.777 2.269 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.112 0.549 3.235 1.00 0.00 H new ATOM 0 HG SER A 17 -22.298 1.621 4.914 1.00 0.00 H new ATOM 292 N VAL A 18 -18.405 2.797 2.576 1.00 0.00 N ATOM 293 CA VAL A 18 -17.681 3.361 1.444 1.00 0.00 C ATOM 294 C VAL A 18 -17.707 4.885 1.479 1.00 0.00 C ATOM 295 O VAL A 18 -18.770 5.495 1.583 1.00 0.00 O ATOM 296 CB VAL A 18 -18.269 2.880 0.104 1.00 0.00 C ATOM 297 CG1 VAL A 18 -19.775 3.095 0.075 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.598 3.593 -1.060 1.00 0.00 C ATOM 0 H VAL A 18 -18.920 3.481 3.130 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.650 3.015 1.525 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.076 1.812 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.174 2.750 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.238 2.534 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.993 4.156 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -18.026 3.240 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.758 4.667 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.529 3.383 -1.048 1.00 0.00 H new ATOM 308 N GLU A 19 -16.528 5.494 1.392 1.00 0.00 N ATOM 309 CA GLU A 19 -16.416 6.948 1.414 1.00 0.00 C ATOM 310 C GLU A 19 -15.205 7.413 0.611 1.00 0.00 C ATOM 311 O GLU A 19 -14.655 8.484 0.864 1.00 0.00 O ATOM 312 CB GLU A 19 -16.310 7.451 2.856 1.00 0.00 C ATOM 313 CG GLU A 19 -17.438 6.969 3.753 1.00 0.00 C ATOM 314 CD GLU A 19 -17.541 7.765 5.039 1.00 0.00 C ATOM 315 OE1 GLU A 19 -16.507 8.305 5.487 1.00 0.00 O ATOM 316 OE2 GLU A 19 -18.654 7.849 5.599 1.00 0.00 O ATOM 0 H GLU A 19 -15.638 5.003 1.306 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.314 7.363 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.358 7.126 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.301 8.541 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.382 7.036 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.282 5.917 3.993 1.00 0.00 H new ATOM 323 N GLU A 20 -14.796 6.599 -0.357 1.00 0.00 N ATOM 324 CA GLU A 20 -13.649 6.926 -1.196 1.00 0.00 C ATOM 325 C GLU A 20 -13.963 8.110 -2.107 1.00 0.00 C ATOM 326 O GLU A 20 -13.069 8.673 -2.740 1.00 0.00 O ATOM 327 CB GLU A 20 -13.242 5.715 -2.037 1.00 0.00 C ATOM 328 CG GLU A 20 -14.175 5.442 -3.204 1.00 0.00 C ATOM 329 CD GLU A 20 -14.233 3.973 -3.574 1.00 0.00 C ATOM 330 OE1 GLU A 20 -14.444 3.140 -2.668 1.00 0.00 O ATOM 331 OE2 GLU A 20 -14.067 3.656 -4.771 1.00 0.00 O ATOM 0 H GLU A 20 -15.242 5.709 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.820 7.200 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.233 5.871 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.208 4.834 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.177 5.789 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.847 6.018 -4.069 1.00 0.00 H new ATOM 338 N ASP A 21 -15.237 8.480 -2.169 1.00 0.00 N ATOM 339 CA ASP A 21 -15.669 9.596 -3.003 1.00 0.00 C ATOM 340 C ASP A 21 -15.831 10.864 -2.171 1.00 0.00 C ATOM 341 O ASP A 21 -16.754 11.650 -2.389 1.00 0.00 O ATOM 342 CB ASP A 21 -16.987 9.258 -3.701 1.00 0.00 C ATOM 343 CG ASP A 21 -16.827 8.169 -4.744 1.00 0.00 C ATOM 344 OD1 ASP A 21 -16.787 6.981 -4.361 1.00 0.00 O ATOM 345 OD2 ASP A 21 -16.743 8.505 -5.944 1.00 0.00 O ATOM 0 H ASP A 21 -15.989 8.024 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.902 9.773 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.718 8.940 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.384 10.156 -4.175 1.00 0.00 H new ATOM 350 N LYS A 22 -14.928 11.058 -1.216 1.00 0.00 N ATOM 351 CA LYS A 22 -14.969 12.231 -0.350 1.00 0.00 C ATOM 352 C LYS A 22 -13.858 12.176 0.693 1.00 0.00 C ATOM 353 O LYS A 22 -13.372 13.211 1.151 1.00 0.00 O ATOM 354 CB LYS A 22 -16.330 12.331 0.343 1.00 0.00 C ATOM 355 CG LYS A 22 -16.809 11.017 0.935 1.00 0.00 C ATOM 356 CD LYS A 22 -18.069 10.522 0.246 1.00 0.00 C ATOM 357 CE LYS A 22 -19.229 11.486 0.444 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.541 10.839 0.166 1.00 0.00 N ATOM 0 H LYS A 22 -14.158 10.418 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.818 13.115 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.271 13.077 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.069 12.687 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.024 10.267 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.002 11.146 2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.877 10.397 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.338 9.542 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.219 11.861 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.102 12.347 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.306 11.528 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.561 10.503 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.674 10.033 0.810 1.00 0.00 H new ATOM 372 N ILE A 23 -13.459 10.964 1.064 1.00 0.00 N ATOM 373 CA ILE A 23 -12.403 10.776 2.051 1.00 0.00 C ATOM 374 C ILE A 23 -11.088 11.378 1.570 1.00 0.00 C ATOM 375 O ILE A 23 -10.185 11.636 2.365 1.00 0.00 O ATOM 376 CB ILE A 23 -12.187 9.284 2.366 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.322 9.126 3.619 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.546 8.580 1.181 1.00 0.00 C ATOM 379 CD1 ILE A 23 -11.962 9.685 4.870 1.00 0.00 C ATOM 0 H ILE A 23 -13.851 10.097 0.696 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.724 11.288 2.958 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.156 8.823 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.108 8.068 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.366 9.624 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.400 7.526 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.196 8.668 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.582 9.040 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.293 9.538 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.151 10.750 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.904 9.170 5.058 1.00 0.00 H new ATOM 391 N GLN A 24 -10.988 11.602 0.263 1.00 0.00 N ATOM 392 CA GLN A 24 -9.782 12.175 -0.323 1.00 0.00 C ATOM 393 C GLN A 24 -9.864 13.698 -0.356 1.00 0.00 C ATOM 394 O GLN A 24 -9.385 14.335 -1.293 1.00 0.00 O ATOM 395 CB GLN A 24 -9.571 11.634 -1.738 1.00 0.00 C ATOM 396 CG GLN A 24 -10.407 12.342 -2.792 1.00 0.00 C ATOM 397 CD GLN A 24 -11.788 12.714 -2.289 1.00 0.00 C ATOM 398 OE1 GLN A 24 -12.585 11.846 -1.931 1.00 0.00 O ATOM 399 NE2 GLN A 24 -12.078 14.009 -2.258 1.00 0.00 N ATOM 0 H GLN A 24 -11.727 11.396 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.934 11.888 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.517 11.727 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.810 10.571 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.888 13.244 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.504 11.698 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.387 14.694 -2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.992 14.319 -1.928 1.00 0.00 H new ATOM 408 N MET A 25 -10.474 14.275 0.674 1.00 0.00 N ATOM 409 CA MET A 25 -10.618 15.723 0.764 1.00 0.00 C ATOM 410 C MET A 25 -9.349 16.362 1.319 1.00 0.00 C ATOM 411 O MET A 25 -9.194 17.582 1.292 1.00 0.00 O ATOM 412 CB MET A 25 -11.813 16.086 1.647 1.00 0.00 C ATOM 413 CG MET A 25 -13.027 16.557 0.862 1.00 0.00 C ATOM 414 SD MET A 25 -13.153 18.354 0.790 1.00 0.00 S ATOM 415 CE MET A 25 -13.738 18.585 -0.887 1.00 0.00 C ATOM 0 H MET A 25 -10.877 13.762 1.458 1.00 0.00 H new ATOM 0 HA MET A 25 -10.789 16.108 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.091 15.217 2.244 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.515 16.869 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.976 16.159 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.930 16.151 1.319 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.865 19.649 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 25 -13.012 18.171 -1.586 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.694 18.076 -1.012 1.00 0.00 H new ATOM 425 N ASN A 26 -8.444 15.529 1.822 1.00 0.00 N ATOM 426 CA ASN A 26 -7.188 16.013 2.385 1.00 0.00 C ATOM 427 C ASN A 26 -7.441 17.111 3.414 1.00 0.00 C ATOM 428 O ASN A 26 -6.619 18.009 3.594 1.00 0.00 O ATOM 429 CB ASN A 26 -6.277 16.540 1.274 1.00 0.00 C ATOM 430 CG ASN A 26 -6.403 15.737 -0.006 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.360 15.900 -0.763 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.433 14.865 -0.254 1.00 0.00 N ATOM 0 H ASN A 26 -8.557 14.516 1.851 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.696 15.178 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.522 17.583 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.242 16.516 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.462 14.297 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.659 14.763 0.402 1.00 0.00 H new ATOM 439 N SER A 27 -8.584 17.031 4.088 1.00 0.00 N ATOM 440 CA SER A 27 -8.947 18.018 5.097 1.00 0.00 C ATOM 441 C SER A 27 -9.002 17.383 6.484 1.00 0.00 C ATOM 442 O SER A 27 -8.088 17.548 7.290 1.00 0.00 O ATOM 443 CB SER A 27 -10.299 18.650 4.760 1.00 0.00 C ATOM 444 OG SER A 27 -10.231 19.385 3.550 1.00 0.00 O ATOM 0 H SER A 27 -9.274 16.292 3.953 1.00 0.00 H new ATOM 0 HA SER A 27 -8.182 18.794 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.057 17.871 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.609 19.308 5.572 1.00 0.00 H new ATOM 0 HG SER A 27 -9.928 18.797 2.827 1.00 0.00 H new ATOM 450 N ASN A 28 -10.082 16.657 6.753 1.00 0.00 N ATOM 451 CA ASN A 28 -10.257 15.997 8.041 1.00 0.00 C ATOM 452 C ASN A 28 -11.081 14.721 7.892 1.00 0.00 C ATOM 453 O ASN A 28 -11.837 14.566 6.932 1.00 0.00 O ATOM 454 CB ASN A 28 -10.937 16.943 9.034 1.00 0.00 C ATOM 455 CG ASN A 28 -10.631 18.400 8.747 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.714 18.979 9.329 1.00 0.00 O ATOM 457 ND2 ASN A 28 -11.399 19.000 7.845 1.00 0.00 N ATOM 0 H ASN A 28 -10.849 16.511 6.096 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.271 15.729 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.015 16.787 9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.612 16.699 10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.240 19.980 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.148 18.481 7.387 1.00 0.00 H new ATOM 464 N PHE A 29 -10.929 13.810 8.847 1.00 0.00 N ATOM 465 CA PHE A 29 -11.658 12.547 8.822 1.00 0.00 C ATOM 466 C PHE A 29 -12.878 12.605 9.736 1.00 0.00 C ATOM 467 O PHE A 29 -13.811 11.814 9.598 1.00 0.00 O ATOM 468 CB PHE A 29 -10.743 11.397 9.247 1.00 0.00 C ATOM 469 CG PHE A 29 -10.123 10.665 8.090 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.351 11.341 7.159 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.314 9.302 7.934 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.781 10.670 6.094 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.746 8.626 6.871 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.977 9.311 5.950 1.00 0.00 C ATOM 0 H PHE A 29 -10.308 13.922 9.648 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.998 12.373 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.951 11.790 9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.316 10.691 9.849 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.193 12.404 7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.914 8.761 8.651 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.182 11.209 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.903 7.563 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.530 8.785 5.119 1.00 0.00 H new ATOM 484 N THR A 30 -12.864 13.549 10.673 1.00 0.00 N ATOM 485 CA THR A 30 -13.967 13.710 11.612 1.00 0.00 C ATOM 486 C THR A 30 -14.581 15.101 11.505 1.00 0.00 C ATOM 487 O THR A 30 -15.499 15.445 12.250 1.00 0.00 O ATOM 488 CB THR A 30 -13.509 13.474 13.063 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.597 13.703 13.965 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.347 14.389 13.420 1.00 0.00 C ATOM 0 H THR A 30 -12.101 14.213 10.801 1.00 0.00 H new ATOM 0 HA THR A 30 -14.717 12.963 11.350 1.00 0.00 H new ATOM 0 HB THR A 30 -13.177 12.440 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.116 14.477 13.662 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.041 14.204 14.450 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.509 14.191 12.751 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.657 15.429 13.315 1.00 0.00 H new ATOM 498 N LYS A 31 -14.069 15.899 10.574 1.00 0.00 N ATOM 499 CA LYS A 31 -14.568 17.253 10.367 1.00 0.00 C ATOM 500 C LYS A 31 -15.092 17.429 8.945 1.00 0.00 C ATOM 501 O LYS A 31 -16.056 18.159 8.715 1.00 0.00 O ATOM 502 CB LYS A 31 -13.462 18.274 10.644 1.00 0.00 C ATOM 503 CG LYS A 31 -12.477 17.829 11.712 1.00 0.00 C ATOM 504 CD LYS A 31 -11.395 18.870 11.941 1.00 0.00 C ATOM 505 CE LYS A 31 -11.191 19.146 13.423 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.847 20.572 13.680 1.00 0.00 N ATOM 0 H LYS A 31 -13.308 15.631 9.950 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.391 17.420 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.919 18.469 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.917 19.216 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.009 17.645 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.019 16.886 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.459 18.526 11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.665 19.795 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.098 18.887 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.396 18.506 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.716 20.719 14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.967 20.812 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.617 21.182 13.338 1.00 0.00 H new ATOM 520 N ASP A 32 -14.451 16.755 7.996 1.00 0.00 N ATOM 521 CA ASP A 32 -14.855 16.835 6.597 1.00 0.00 C ATOM 522 C ASP A 32 -16.080 15.965 6.334 1.00 0.00 C ATOM 523 O ASP A 32 -17.170 16.473 6.070 1.00 0.00 O ATOM 524 CB ASP A 32 -13.703 16.405 5.687 1.00 0.00 C ATOM 525 CG ASP A 32 -13.901 16.854 4.252 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.644 16.173 3.514 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.313 17.886 3.868 1.00 0.00 O ATOM 0 H ASP A 32 -13.650 16.148 8.170 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.114 17.871 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.769 16.818 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.607 15.320 5.715 1.00 0.00 H new ATOM 532 N LEU A 33 -15.893 14.652 6.407 1.00 0.00 N ATOM 533 CA LEU A 33 -16.983 13.710 6.176 1.00 0.00 C ATOM 534 C LEU A 33 -18.016 13.787 7.295 1.00 0.00 C ATOM 535 O LEU A 33 -19.200 13.532 7.080 1.00 0.00 O ATOM 536 CB LEU A 33 -16.437 12.285 6.067 1.00 0.00 C ATOM 537 CG LEU A 33 -15.446 11.861 7.152 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.079 10.840 8.084 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.177 11.300 6.526 1.00 0.00 C ATOM 0 H LEU A 33 -14.997 14.215 6.624 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.470 13.979 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.279 11.593 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.952 12.177 5.097 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.180 12.741 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.359 10.550 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.958 11.277 8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.375 9.960 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.483 11.004 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.426 10.432 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.712 12.062 5.901 1.00 0.00 H new ATOM 551 N GLY A 34 -17.559 14.144 8.492 1.00 0.00 N ATOM 552 CA GLY A 34 -18.457 14.250 9.627 1.00 0.00 C ATOM 553 C GLY A 34 -19.302 13.006 9.817 1.00 0.00 C ATOM 554 O GLY A 34 -20.526 13.088 9.911 1.00 0.00 O ATOM 0 H GLY A 34 -16.583 14.361 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.875 14.432 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.110 15.112 9.490 1.00 0.00 H new ATOM 558 N ALA A 35 -18.647 11.851 9.872 1.00 0.00 N ATOM 559 CA ALA A 35 -19.346 10.585 10.052 1.00 0.00 C ATOM 560 C ALA A 35 -19.844 10.431 11.485 1.00 0.00 C ATOM 561 O ALA A 35 -21.003 10.719 11.784 1.00 0.00 O ATOM 562 CB ALA A 35 -18.438 9.423 9.679 1.00 0.00 C ATOM 0 H ALA A 35 -17.633 11.766 9.794 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.213 10.581 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -18.973 8.484 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.136 9.517 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.553 9.434 10.315 1.00 0.00 H new ATOM 568 N ASP A 36 -18.961 9.975 12.367 1.00 0.00 N ATOM 569 CA ASP A 36 -19.310 9.783 13.770 1.00 0.00 C ATOM 570 C ASP A 36 -18.162 9.130 14.531 1.00 0.00 C ATOM 571 O ASP A 36 -17.550 8.155 14.098 1.00 0.00 O ATOM 572 CB ASP A 36 -20.572 8.926 13.890 1.00 0.00 C ATOM 573 CG ASP A 36 -20.585 7.773 12.906 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.061 6.694 13.250 1.00 0.00 O ATOM 575 OD2 ASP A 36 -21.119 7.951 11.791 1.00 0.00 O ATOM 0 H ASP A 36 -17.998 9.731 12.135 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.502 10.762 14.209 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.647 8.535 14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.449 9.551 13.724 1.00 0.00 H new ATOM 580 N SER A 37 -17.846 9.681 15.716 1.00 0.00 N ATOM 581 CA SER A 37 -16.770 9.233 16.629 1.00 0.00 C ATOM 582 C SER A 37 -16.641 7.702 16.688 1.00 0.00 C ATOM 583 O SER A 37 -15.542 7.145 16.729 1.00 0.00 O ATOM 584 CB SER A 37 -17.074 9.833 18.011 1.00 0.00 C ATOM 585 OG SER A 37 -18.272 9.281 18.559 1.00 0.00 O ATOM 0 H SER A 37 -18.353 10.486 16.083 1.00 0.00 H new ATOM 0 HA SER A 37 -15.805 9.581 16.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.240 9.641 18.686 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.174 10.915 17.927 1.00 0.00 H new ATOM 590 N LEU A 38 -17.789 7.035 16.694 1.00 0.00 N ATOM 591 CA LEU A 38 -17.828 5.577 16.749 1.00 0.00 C ATOM 592 C LEU A 38 -17.118 4.968 15.544 1.00 0.00 C ATOM 593 O LEU A 38 -16.230 4.129 15.694 1.00 0.00 O ATOM 594 CB LEU A 38 -19.276 5.087 16.804 1.00 0.00 C ATOM 595 CG LEU A 38 -20.209 5.855 17.740 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.035 6.866 16.960 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.115 4.894 18.497 1.00 0.00 C ATOM 0 H LEU A 38 -18.706 7.480 16.661 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.309 5.258 17.653 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.691 5.127 15.797 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.273 4.040 17.106 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.600 6.396 18.464 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.693 7.403 17.643 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.371 7.574 16.465 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.634 6.347 16.212 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.772 5.458 19.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.716 4.325 17.787 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.506 4.209 19.088 1.00 0.00 H new ATOM 609 N ASP A 39 -17.514 5.397 14.351 1.00 0.00 N ATOM 610 CA ASP A 39 -16.914 4.897 13.120 1.00 0.00 C ATOM 611 C ASP A 39 -15.469 5.367 12.989 1.00 0.00 C ATOM 612 O ASP A 39 -14.573 4.579 12.683 1.00 0.00 O ATOM 613 CB ASP A 39 -17.725 5.357 11.908 1.00 0.00 C ATOM 614 CG ASP A 39 -19.016 4.579 11.746 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.394 3.852 12.688 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.650 4.698 10.676 1.00 0.00 O ATOM 0 H ASP A 39 -18.249 6.091 14.210 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.920 3.808 13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.954 6.418 12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.122 5.245 11.007 1.00 0.00 H new ATOM 621 N LEU A 40 -15.249 6.656 13.223 1.00 0.00 N ATOM 622 CA LEU A 40 -13.912 7.233 13.130 1.00 0.00 C ATOM 623 C LEU A 40 -12.932 6.483 14.026 1.00 0.00 C ATOM 624 O LEU A 40 -11.900 5.995 13.564 1.00 0.00 O ATOM 625 CB LEU A 40 -13.946 8.712 13.518 1.00 0.00 C ATOM 626 CG LEU A 40 -14.201 9.700 12.379 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.085 9.626 11.348 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.549 9.426 11.729 1.00 0.00 C ATOM 0 H LEU A 40 -15.979 7.321 13.478 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.574 7.142 12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.720 8.851 14.273 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.995 8.966 13.986 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.218 10.708 12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.284 10.336 10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.135 9.871 11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.036 8.618 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.715 10.138 10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.560 8.413 11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.339 9.531 12.472 1.00 0.00 H new ATOM 640 N VAL A 41 -13.262 6.392 15.311 1.00 0.00 N ATOM 641 CA VAL A 41 -12.413 5.698 16.271 1.00 0.00 C ATOM 642 C VAL A 41 -12.320 4.211 15.949 1.00 0.00 C ATOM 643 O VAL A 41 -11.343 3.550 16.299 1.00 0.00 O ATOM 644 CB VAL A 41 -12.937 5.868 17.710 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.071 5.092 18.689 1.00 0.00 C ATOM 646 CG2 VAL A 41 -12.993 7.341 18.085 1.00 0.00 C ATOM 0 H VAL A 41 -14.112 6.791 15.711 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.422 6.146 16.197 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.949 5.465 17.760 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.457 5.224 19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.088 4.033 18.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.047 5.461 18.640 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.365 7.443 19.104 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.994 7.772 18.019 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.660 7.865 17.401 1.00 0.00 H new ATOM 656 N GLU A 42 -13.344 3.691 15.278 1.00 0.00 N ATOM 657 CA GLU A 42 -13.377 2.281 14.908 1.00 0.00 C ATOM 658 C GLU A 42 -12.430 2.002 13.744 1.00 0.00 C ATOM 659 O GLU A 42 -11.410 1.331 13.907 1.00 0.00 O ATOM 660 CB GLU A 42 -14.800 1.862 14.534 1.00 0.00 C ATOM 661 CG GLU A 42 -15.598 1.307 15.701 1.00 0.00 C ATOM 662 CD GLU A 42 -17.059 1.090 15.359 1.00 0.00 C ATOM 663 OE1 GLU A 42 -17.804 2.088 15.274 1.00 0.00 O ATOM 664 OE2 GLU A 42 -17.457 -0.080 15.175 1.00 0.00 O ATOM 0 H GLU A 42 -14.161 4.225 14.980 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.049 1.698 15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.326 2.723 14.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.753 1.110 13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.159 0.361 16.019 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.524 1.993 16.545 1.00 0.00 H new ATOM 671 N LEU A 43 -12.776 2.520 12.571 1.00 0.00 N ATOM 672 CA LEU A 43 -11.958 2.326 11.379 1.00 0.00 C ATOM 673 C LEU A 43 -10.484 2.578 11.682 1.00 0.00 C ATOM 674 O LEU A 43 -9.607 1.890 11.161 1.00 0.00 O ATOM 675 CB LEU A 43 -12.426 3.257 10.258 1.00 0.00 C ATOM 676 CG LEU A 43 -12.379 4.754 10.566 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.094 5.368 10.034 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.593 5.458 9.977 1.00 0.00 C ATOM 0 H LEU A 43 -13.617 3.077 12.420 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.072 1.291 11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.813 3.068 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.451 2.992 9.997 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.398 4.884 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.078 6.434 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.238 4.884 10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.043 5.228 8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.543 6.523 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.605 5.320 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.502 5.037 10.407 1.00 0.00 H new ATOM 690 N ILE A 44 -10.221 3.568 12.529 1.00 0.00 N ATOM 691 CA ILE A 44 -8.854 3.908 12.904 1.00 0.00 C ATOM 692 C ILE A 44 -8.216 2.793 13.726 1.00 0.00 C ATOM 693 O ILE A 44 -7.099 2.361 13.443 1.00 0.00 O ATOM 694 CB ILE A 44 -8.802 5.219 13.711 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.145 6.409 12.813 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.427 5.400 14.337 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.400 7.689 13.579 1.00 0.00 C ATOM 0 H ILE A 44 -10.936 4.148 12.968 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.295 4.038 11.977 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.540 5.167 14.511 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.327 6.572 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.028 6.166 12.223 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.405 6.331 14.904 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.218 4.564 15.004 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.672 5.436 13.552 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.637 8.491 12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.237 7.544 14.262 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.510 7.956 14.148 1.00 0.00 H new ATOM 709 N MET A 45 -8.934 2.329 14.743 1.00 0.00 N ATOM 710 CA MET A 45 -8.439 1.262 15.605 1.00 0.00 C ATOM 711 C MET A 45 -7.972 0.068 14.777 1.00 0.00 C ATOM 712 O MET A 45 -7.032 -0.630 15.154 1.00 0.00 O ATOM 713 CB MET A 45 -9.528 0.822 16.585 1.00 0.00 C ATOM 714 CG MET A 45 -10.233 -0.461 16.176 1.00 0.00 C ATOM 715 SD MET A 45 -11.681 -0.812 17.191 1.00 0.00 S ATOM 716 CE MET A 45 -10.909 -1.458 18.672 1.00 0.00 C ATOM 0 H MET A 45 -9.861 2.675 14.991 1.00 0.00 H new ATOM 0 HA MET A 45 -7.589 1.648 16.167 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.084 0.684 17.571 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.266 1.619 16.677 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.536 -0.388 15.131 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.534 -1.294 16.247 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.678 -1.721 19.398 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.327 -2.345 18.422 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.251 -0.701 19.099 1.00 0.00 H new ATOM 726 N ALA A 46 -8.636 -0.159 13.648 1.00 0.00 N ATOM 727 CA ALA A 46 -8.287 -1.267 12.767 1.00 0.00 C ATOM 728 C ALA A 46 -6.996 -0.979 12.009 1.00 0.00 C ATOM 729 O ALA A 46 -6.129 -1.846 11.886 1.00 0.00 O ATOM 730 CB ALA A 46 -9.422 -1.545 11.794 1.00 0.00 C ATOM 0 H ALA A 46 -9.418 0.409 13.322 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.126 -2.152 13.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.148 -2.375 11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.323 -1.803 12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.610 -0.657 11.191 1.00 0.00 H new ATOM 736 N LEU A 47 -6.873 0.242 11.500 1.00 0.00 N ATOM 737 CA LEU A 47 -5.687 0.644 10.752 1.00 0.00 C ATOM 738 C LEU A 47 -4.419 0.369 11.553 1.00 0.00 C ATOM 739 O LEU A 47 -3.463 -0.212 11.040 1.00 0.00 O ATOM 740 CB LEU A 47 -5.766 2.129 10.393 1.00 0.00 C ATOM 741 CG LEU A 47 -5.277 2.508 8.994 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.289 4.018 8.816 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.883 1.950 8.747 1.00 0.00 C ATOM 0 H LEU A 47 -7.580 0.971 11.592 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.649 0.056 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.802 2.452 10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.184 2.691 11.124 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.956 2.071 8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.938 4.269 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.304 4.392 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.633 4.477 9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.551 2.229 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.192 2.357 9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.906 0.864 8.831 1.00 0.00 H new ATOM 755 N GLU A 48 -4.419 0.788 12.815 1.00 0.00 N ATOM 756 CA GLU A 48 -3.268 0.586 13.687 1.00 0.00 C ATOM 757 C GLU A 48 -3.059 -0.898 13.975 1.00 0.00 C ATOM 758 O GLU A 48 -1.936 -1.399 13.918 1.00 0.00 O ATOM 759 CB GLU A 48 -3.454 1.350 14.999 1.00 0.00 C ATOM 760 CG GLU A 48 -2.529 0.884 16.111 1.00 0.00 C ATOM 761 CD GLU A 48 -3.157 -0.186 16.982 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.172 0.111 17.647 1.00 0.00 O ATOM 763 OE2 GLU A 48 -2.635 -1.320 16.999 1.00 0.00 O ATOM 0 H GLU A 48 -5.203 1.269 13.256 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.385 0.968 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.285 2.412 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.487 1.243 15.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.608 0.498 15.674 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.254 1.737 16.731 1.00 0.00 H new ATOM 770 N GLU A 49 -4.148 -1.594 14.285 1.00 0.00 N ATOM 771 CA GLU A 49 -4.083 -3.020 14.583 1.00 0.00 C ATOM 772 C GLU A 49 -3.521 -3.799 13.398 1.00 0.00 C ATOM 773 O GLU A 49 -3.035 -4.920 13.551 1.00 0.00 O ATOM 774 CB GLU A 49 -5.471 -3.552 14.945 1.00 0.00 C ATOM 775 CG GLU A 49 -5.439 -4.840 15.750 1.00 0.00 C ATOM 776 CD GLU A 49 -6.813 -5.257 16.238 1.00 0.00 C ATOM 777 OE1 GLU A 49 -7.607 -4.368 16.608 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.094 -6.474 16.248 1.00 0.00 O ATOM 0 H GLU A 49 -5.085 -1.194 14.336 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.416 -3.157 15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.005 -2.791 15.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.037 -3.720 14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.018 -5.637 15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.777 -4.713 16.606 1.00 0.00 H new ATOM 785 N LYS A 50 -3.590 -3.197 12.215 1.00 0.00 N ATOM 786 CA LYS A 50 -3.088 -3.832 11.002 1.00 0.00 C ATOM 787 C LYS A 50 -1.616 -3.499 10.783 1.00 0.00 C ATOM 788 O LYS A 50 -0.844 -4.334 10.312 1.00 0.00 O ATOM 789 CB LYS A 50 -3.909 -3.385 9.791 1.00 0.00 C ATOM 790 CG LYS A 50 -3.246 -3.692 8.460 1.00 0.00 C ATOM 791 CD LYS A 50 -2.867 -5.159 8.350 1.00 0.00 C ATOM 792 CE LYS A 50 -3.401 -5.779 7.068 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.315 -7.265 7.092 1.00 0.00 N ATOM 0 H LYS A 50 -3.989 -2.269 12.071 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.184 -4.911 11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.883 -3.873 9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.087 -2.312 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.922 -3.428 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.354 -3.076 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.782 -5.258 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.260 -5.703 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.439 -5.478 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.837 -5.396 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.689 -7.649 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.322 -7.554 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.874 -7.632 7.888 1.00 0.00 H new ATOM 807 N PHE A 51 -1.234 -2.274 11.129 1.00 0.00 N ATOM 808 CA PHE A 51 0.146 -1.830 10.970 1.00 0.00 C ATOM 809 C PHE A 51 1.015 -2.333 12.120 1.00 0.00 C ATOM 810 O PHE A 51 2.242 -2.278 12.054 1.00 0.00 O ATOM 811 CB PHE A 51 0.209 -0.303 10.899 1.00 0.00 C ATOM 812 CG PHE A 51 0.137 0.235 9.499 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.956 -0.273 8.504 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.751 1.250 9.177 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.892 0.220 7.214 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.820 1.746 7.889 1.00 0.00 C ATOM 817 CZ PHE A 51 0.003 1.232 6.907 1.00 0.00 C ATOM 0 H PHE A 51 -1.861 -1.571 11.521 1.00 0.00 H new ATOM 0 HA PHE A 51 0.530 -2.246 10.038 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.612 0.114 11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.135 0.036 11.363 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.653 -1.064 8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.396 1.658 9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.536 -0.185 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.517 2.535 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.048 1.620 5.901 1.00 0.00 H new ATOM 827 N ASN A 52 0.367 -2.823 13.172 1.00 0.00 N ATOM 828 CA ASN A 52 1.080 -3.334 14.337 1.00 0.00 C ATOM 829 C ASN A 52 1.802 -2.209 15.071 1.00 0.00 C ATOM 830 O ASN A 52 2.960 -2.351 15.463 1.00 0.00 O ATOM 831 CB ASN A 52 2.083 -4.410 13.916 1.00 0.00 C ATOM 832 CG ASN A 52 2.405 -5.373 15.042 1.00 0.00 C ATOM 833 OD1 ASN A 52 2.206 -5.061 16.216 1.00 0.00 O ATOM 834 ND2 ASN A 52 2.906 -6.551 14.688 1.00 0.00 N ATOM 0 H ASN A 52 -0.649 -2.877 13.242 1.00 0.00 H new ATOM 0 HA ASN A 52 0.348 -3.774 15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.681 -4.967 13.070 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.002 -3.933 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.142 -7.240 15.402 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.054 -6.767 13.702 1.00 0.00 H new ATOM 841 N VAL A 53 1.110 -1.089 15.254 1.00 0.00 N ATOM 842 CA VAL A 53 1.684 0.061 15.942 1.00 0.00 C ATOM 843 C VAL A 53 0.876 0.418 17.185 1.00 0.00 C ATOM 844 O VAL A 53 -0.179 -0.164 17.442 1.00 0.00 O ATOM 845 CB VAL A 53 1.752 1.291 15.018 1.00 0.00 C ATOM 846 CG1 VAL A 53 3.151 1.447 14.439 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.717 1.183 13.909 1.00 0.00 C ATOM 0 H VAL A 53 0.151 -0.954 14.935 1.00 0.00 H new ATOM 0 HA VAL A 53 2.695 -0.220 16.237 1.00 0.00 H new ATOM 0 HB VAL A 53 1.527 2.179 15.608 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.180 2.321 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.868 1.574 15.250 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.408 0.558 13.863 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.780 2.061 13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.908 0.287 13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.280 1.124 14.346 1.00 0.00 H new ATOM 857 N THR A 54 1.377 1.379 17.955 1.00 0.00 N ATOM 858 CA THR A 54 0.703 1.813 19.171 1.00 0.00 C ATOM 859 C THR A 54 0.365 3.298 19.113 1.00 0.00 C ATOM 860 O THR A 54 1.174 4.144 19.499 1.00 0.00 O ATOM 861 CB THR A 54 1.566 1.543 20.419 1.00 0.00 C ATOM 862 OG1 THR A 54 2.003 0.179 20.426 1.00 0.00 O ATOM 863 CG2 THR A 54 0.785 1.838 21.691 1.00 0.00 C ATOM 0 H THR A 54 2.248 1.871 17.757 1.00 0.00 H new ATOM 0 HA THR A 54 -0.219 1.236 19.244 1.00 0.00 H new ATOM 0 HB THR A 54 2.434 2.202 20.384 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.552 0.016 21.221 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.414 1.640 22.559 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.479 2.884 21.696 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.099 1.201 21.731 1.00 0.00 H new ATOM 871 N ILE A 55 -0.832 3.610 18.629 1.00 0.00 N ATOM 872 CA ILE A 55 -1.276 4.994 18.522 1.00 0.00 C ATOM 873 C ILE A 55 -2.686 5.163 19.080 1.00 0.00 C ATOM 874 O ILE A 55 -3.441 4.198 19.190 1.00 0.00 O ATOM 875 CB ILE A 55 -1.252 5.482 17.062 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.187 4.724 16.266 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.994 6.980 17.009 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.707 3.465 15.608 1.00 0.00 C ATOM 0 H ILE A 55 -1.512 2.923 18.305 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.581 5.595 19.108 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.225 5.284 16.612 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.220 5.383 15.499 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.636 4.463 16.932 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.980 7.310 15.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.784 7.505 17.546 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.033 7.200 17.473 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.102 2.980 15.061 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.088 2.786 16.371 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.510 3.721 14.917 1.00 0.00 H new ATOM 890 N SER A 56 -3.034 6.398 19.428 1.00 0.00 N ATOM 891 CA SER A 56 -4.352 6.695 19.976 1.00 0.00 C ATOM 892 C SER A 56 -4.504 8.189 20.246 1.00 0.00 C ATOM 893 O SER A 56 -5.427 8.831 19.744 1.00 0.00 O ATOM 894 CB SER A 56 -4.581 5.905 21.266 1.00 0.00 C ATOM 895 OG SER A 56 -5.374 6.642 22.181 1.00 0.00 O ATOM 0 H SER A 56 -2.421 7.209 19.340 1.00 0.00 H new ATOM 0 HA SER A 56 -5.100 6.399 19.240 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.071 4.959 21.035 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.622 5.664 21.724 1.00 0.00 H new ATOM 0 HG SER A 56 -5.507 6.115 22.996 1.00 0.00 H new ATOM 901 N ASP A 57 -3.593 8.734 21.044 1.00 0.00 N ATOM 902 CA ASP A 57 -3.624 10.153 21.382 1.00 0.00 C ATOM 903 C ASP A 57 -3.545 11.013 20.124 1.00 0.00 C ATOM 904 O ASP A 57 -4.062 12.129 20.091 1.00 0.00 O ATOM 905 CB ASP A 57 -2.471 10.499 22.325 1.00 0.00 C ATOM 906 CG ASP A 57 -2.853 10.356 23.784 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.920 9.769 24.064 1.00 0.00 O ATOM 908 OD2 ASP A 57 -2.086 10.829 24.648 1.00 0.00 O ATOM 0 H ASP A 57 -2.824 8.216 21.469 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.569 10.362 21.884 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.622 9.850 22.110 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.146 11.522 22.136 1.00 0.00 H new ATOM 913 N GLN A 58 -2.894 10.485 19.092 1.00 0.00 N ATOM 914 CA GLN A 58 -2.746 11.206 17.834 1.00 0.00 C ATOM 915 C GLN A 58 -3.421 10.452 16.692 1.00 0.00 C ATOM 916 O GLN A 58 -3.770 11.040 15.668 1.00 0.00 O ATOM 917 CB GLN A 58 -1.265 11.419 17.514 1.00 0.00 C ATOM 918 CG GLN A 58 -0.399 10.204 17.807 1.00 0.00 C ATOM 919 CD GLN A 58 0.480 10.395 19.027 1.00 0.00 C ATOM 920 OE1 GLN A 58 1.706 10.321 18.940 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.143 10.642 20.173 1.00 0.00 N ATOM 0 H GLN A 58 -2.461 9.561 19.103 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.230 12.177 17.942 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.163 11.682 16.461 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.895 12.266 18.091 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.039 9.334 17.957 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.228 9.992 16.941 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.161 10.695 20.199 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.397 10.779 21.028 1.00 0.00 H new ATOM 930 N ASP A 59 -3.601 9.149 16.876 1.00 0.00 N ATOM 931 CA ASP A 59 -4.235 8.315 15.862 1.00 0.00 C ATOM 932 C ASP A 59 -5.619 8.849 15.505 1.00 0.00 C ATOM 933 O ASP A 59 -6.154 8.552 14.438 1.00 0.00 O ATOM 934 CB ASP A 59 -4.344 6.871 16.354 1.00 0.00 C ATOM 935 CG ASP A 59 -4.206 5.863 15.229 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.517 6.175 14.235 1.00 0.00 O ATOM 937 OD2 ASP A 59 -4.785 4.763 15.344 1.00 0.00 O ATOM 0 H ASP A 59 -3.317 8.648 17.718 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.614 8.340 14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.572 6.686 17.101 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.305 6.730 16.848 1.00 0.00 H new ATOM 942 N ALA A 60 -6.193 9.639 16.407 1.00 0.00 N ATOM 943 CA ALA A 60 -7.514 10.216 16.188 1.00 0.00 C ATOM 944 C ALA A 60 -7.409 11.609 15.576 1.00 0.00 C ATOM 945 O ALA A 60 -8.320 12.063 14.883 1.00 0.00 O ATOM 946 CB ALA A 60 -8.291 10.268 17.495 1.00 0.00 C ATOM 0 H ALA A 60 -5.764 9.894 17.296 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.050 9.578 15.485 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.275 10.701 17.316 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.405 9.259 17.891 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.750 10.881 18.216 1.00 0.00 H new ATOM 952 N LEU A 61 -6.295 12.282 15.837 1.00 0.00 N ATOM 953 CA LEU A 61 -6.071 13.625 15.312 1.00 0.00 C ATOM 954 C LEU A 61 -4.777 13.687 14.508 1.00 0.00 C ATOM 955 O LEU A 61 -3.888 14.487 14.802 1.00 0.00 O ATOM 956 CB LEU A 61 -6.024 14.640 16.456 1.00 0.00 C ATOM 957 CG LEU A 61 -5.367 14.161 17.751 1.00 0.00 C ATOM 958 CD1 LEU A 61 -4.343 15.176 18.237 1.00 0.00 C ATOM 959 CD2 LEU A 61 -6.419 13.908 18.821 1.00 0.00 C ATOM 0 H LEU A 61 -5.532 11.920 16.409 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.900 13.872 14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.492 15.525 16.108 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.044 14.950 16.683 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.851 13.223 17.549 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.886 14.818 19.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.572 15.308 17.477 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.836 16.130 18.423 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.933 13.568 19.736 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.964 14.831 19.021 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.115 13.144 18.474 1.00 0.00 H new ATOM 971 N LYS A 62 -4.677 12.838 13.491 1.00 0.00 N ATOM 972 CA LYS A 62 -3.493 12.798 12.641 1.00 0.00 C ATOM 973 C LYS A 62 -3.859 12.394 11.216 1.00 0.00 C ATOM 974 O LYS A 62 -3.547 13.105 10.261 1.00 0.00 O ATOM 975 CB LYS A 62 -2.464 11.819 13.211 1.00 0.00 C ATOM 976 CG LYS A 62 -1.128 11.850 12.488 1.00 0.00 C ATOM 977 CD LYS A 62 0.026 12.051 13.455 1.00 0.00 C ATOM 978 CE LYS A 62 0.204 10.846 14.367 1.00 0.00 C ATOM 979 NZ LYS A 62 1.293 9.948 13.893 1.00 0.00 N ATOM 0 H LYS A 62 -5.402 12.168 13.235 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.060 13.798 12.617 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.303 12.047 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.870 10.809 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.987 10.917 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.131 12.654 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.945 12.224 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.153 12.942 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.428 11.186 15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.731 10.288 14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.945 8.969 13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.596 10.242 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.100 10.006 14.547 1.00 0.00 H new ATOM 993 N ILE A 63 -4.523 11.251 11.082 1.00 0.00 N ATOM 994 CA ILE A 63 -4.934 10.756 9.775 1.00 0.00 C ATOM 995 C ILE A 63 -5.971 11.675 9.139 1.00 0.00 C ATOM 996 O ILE A 63 -6.277 11.557 7.954 1.00 0.00 O ATOM 997 CB ILE A 63 -5.515 9.333 9.869 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.440 8.349 10.337 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.084 8.903 8.525 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.337 8.239 11.842 1.00 0.00 C ATOM 0 H ILE A 63 -4.788 10.651 11.863 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.040 10.735 9.151 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.323 9.335 10.600 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.655 7.364 9.923 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.475 8.660 9.936 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.491 7.895 8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.876 9.591 8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.293 8.915 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.556 7.525 12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.091 9.214 12.262 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.290 7.899 12.248 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.508 12.593 9.937 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.510 13.535 9.452 1.00 0.00 C ATOM 1014 C ASN A 64 -7.122 14.087 8.084 1.00 0.00 C ATOM 1015 O ASN A 64 -7.978 14.322 7.231 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.684 14.684 10.447 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.473 14.862 11.342 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.534 14.613 12.546 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.363 15.297 10.755 1.00 0.00 N ATOM 0 H ASN A 64 -6.266 12.704 10.922 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.455 13.002 9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.868 15.609 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.564 14.497 11.063 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.516 15.437 11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.358 15.491 9.754 1.00 0.00 H new ATOM 1026 N THR A 65 -5.824 14.290 7.880 1.00 0.00 N ATOM 1027 CA THR A 65 -5.321 14.814 6.617 1.00 0.00 C ATOM 1028 C THR A 65 -4.548 13.749 5.848 1.00 0.00 C ATOM 1029 O THR A 65 -3.594 13.166 6.365 1.00 0.00 O ATOM 1030 CB THR A 65 -4.409 16.035 6.838 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.117 15.607 7.283 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.014 16.984 7.861 1.00 0.00 C ATOM 0 H THR A 65 -5.102 14.099 8.574 1.00 0.00 H new ATOM 0 HA THR A 65 -6.190 15.120 6.034 1.00 0.00 H new ATOM 0 HB THR A 65 -4.310 16.563 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.827 16.167 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.352 17.839 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.985 17.331 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.140 16.464 8.810 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.964 13.499 4.611 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.309 12.504 3.770 1.00 0.00 C ATOM 1042 C VAL A 66 -2.792 12.601 3.884 1.00 0.00 C ATOM 1043 O VAL A 66 -2.094 11.588 3.887 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.713 12.664 2.292 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.903 11.725 1.412 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.204 12.418 2.118 1.00 0.00 C ATOM 0 H VAL A 66 -5.752 13.972 4.169 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.635 11.526 4.124 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.498 13.687 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.202 11.852 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.842 11.954 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.083 10.694 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.472 12.535 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.446 11.406 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.764 13.136 2.718 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.288 13.828 3.979 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.853 14.057 4.093 1.00 0.00 C ATOM 1058 C GLN A 67 -0.312 13.480 5.397 1.00 0.00 C ATOM 1059 O GLN A 67 0.560 12.611 5.388 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.547 15.554 4.018 1.00 0.00 C ATOM 1061 CG GLN A 67 0.902 15.895 4.328 1.00 0.00 C ATOM 1062 CD GLN A 67 1.872 15.261 3.351 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.127 15.799 2.273 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.421 14.110 3.724 1.00 0.00 N ATOM 0 H GLN A 67 -2.852 14.678 3.979 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.362 13.551 3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.791 15.917 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.194 16.084 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.029 16.977 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.141 15.564 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.181 13.699 4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.082 13.637 3.108 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.834 13.969 6.516 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.404 13.501 7.829 1.00 0.00 C ATOM 1075 C ASP A 68 -0.624 11.998 7.969 1.00 0.00 C ATOM 1076 O ASP A 68 0.119 11.316 8.675 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.159 14.245 8.932 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.817 15.721 8.974 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.317 16.078 8.592 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.683 16.520 9.389 1.00 0.00 O ATOM 0 H ASP A 68 -1.556 14.689 6.541 1.00 0.00 H new ATOM 0 HA ASP A 68 0.662 13.705 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.231 14.128 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.925 13.793 9.896 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.649 11.490 7.293 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.966 10.068 7.342 1.00 0.00 C ATOM 1087 C ALA A 69 -0.782 9.225 6.879 1.00 0.00 C ATOM 1088 O ALA A 69 -0.224 8.445 7.652 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.191 9.771 6.491 1.00 0.00 C ATOM 0 H ALA A 69 -2.274 12.042 6.705 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.183 9.805 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.416 8.706 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.042 10.338 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.994 10.056 5.458 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.404 9.387 5.616 1.00 0.00 N ATOM 1096 CA ILE A 70 0.714 8.642 5.052 1.00 0.00 C ATOM 1097 C ILE A 70 1.989 8.869 5.857 1.00 0.00 C ATOM 1098 O ILE A 70 2.849 7.992 5.937 1.00 0.00 O ATOM 1099 CB ILE A 70 0.970 9.034 3.585 1.00 0.00 C ATOM 1100 CG1 ILE A 70 2.264 8.393 3.080 1.00 0.00 C ATOM 1101 CG2 ILE A 70 1.033 10.548 3.445 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.287 6.887 3.221 1.00 0.00 C ATOM 0 H ILE A 70 -0.856 10.028 4.964 1.00 0.00 H new ATOM 0 HA ILE A 70 0.443 7.587 5.095 1.00 0.00 H new ATOM 0 HB ILE A 70 0.144 8.666 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.404 8.654 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.107 8.814 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.214 10.810 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.088 10.983 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.842 10.937 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.234 6.501 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.179 6.618 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.465 6.455 2.650 1.00 0.00 H new ATOM 1114 N ASP A 71 2.102 10.051 6.453 1.00 0.00 N ATOM 1115 CA ASP A 71 3.271 10.394 7.255 1.00 0.00 C ATOM 1116 C ASP A 71 3.204 9.727 8.625 1.00 0.00 C ATOM 1117 O ASP A 71 4.216 9.603 9.316 1.00 0.00 O ATOM 1118 CB ASP A 71 3.378 11.911 7.416 1.00 0.00 C ATOM 1119 CG ASP A 71 4.748 12.438 7.038 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.745 11.985 7.638 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.824 13.305 6.142 1.00 0.00 O ATOM 0 H ASP A 71 1.399 10.788 6.396 1.00 0.00 H new ATOM 0 HA ASP A 71 4.157 10.029 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.623 12.393 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.161 12.180 8.450 1.00 0.00 H new ATOM 1126 N TYR A 72 2.007 9.302 9.012 1.00 0.00 N ATOM 1127 CA TYR A 72 1.807 8.651 10.302 1.00 0.00 C ATOM 1128 C TYR A 72 2.202 7.179 10.236 1.00 0.00 C ATOM 1129 O TYR A 72 2.768 6.634 11.185 1.00 0.00 O ATOM 1130 CB TYR A 72 0.348 8.780 10.741 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.288 7.463 11.125 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.051 6.825 12.312 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.226 6.855 10.300 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.526 5.621 12.666 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.809 5.652 10.647 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.456 5.039 11.831 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.034 3.839 12.179 1.00 0.00 O ATOM 0 H TYR A 72 1.160 9.396 8.451 1.00 0.00 H new ATOM 0 HA TYR A 72 2.445 9.147 11.034 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.292 9.462 11.589 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.228 9.230 9.932 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.778 7.278 12.969 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.504 7.331 9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.250 5.138 13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.538 5.194 9.995 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.668 3.567 11.483 1.00 0.00 H new ATOM 1147 N ILE A 73 1.901 6.542 9.110 1.00 0.00 N ATOM 1148 CA ILE A 73 2.226 5.134 8.919 1.00 0.00 C ATOM 1149 C ILE A 73 3.700 4.952 8.571 1.00 0.00 C ATOM 1150 O ILE A 73 4.298 3.923 8.882 1.00 0.00 O ATOM 1151 CB ILE A 73 1.366 4.504 7.807 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.847 4.973 6.433 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.100 4.854 8.010 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.844 4.035 5.789 1.00 0.00 C ATOM 0 H ILE A 73 1.433 6.978 8.316 1.00 0.00 H new ATOM 0 HA ILE A 73 2.013 4.630 9.862 1.00 0.00 H new ATOM 0 HB ILE A 73 1.471 3.420 7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.986 5.083 5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.300 5.959 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.695 4.402 7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.434 4.475 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.223 5.937 7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.141 4.431 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.722 3.943 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.388 3.054 5.657 1.00 0.00 H new ATOM 1166 N GLU A 74 4.278 5.960 7.925 1.00 0.00 N ATOM 1167 CA GLU A 74 5.683 5.911 7.536 1.00 0.00 C ATOM 1168 C GLU A 74 6.587 6.243 8.720 1.00 0.00 C ATOM 1169 O GLU A 74 7.662 5.664 8.876 1.00 0.00 O ATOM 1170 CB GLU A 74 5.951 6.884 6.386 1.00 0.00 C ATOM 1171 CG GLU A 74 5.213 6.532 5.106 1.00 0.00 C ATOM 1172 CD GLU A 74 5.892 5.420 4.329 1.00 0.00 C ATOM 1173 OE1 GLU A 74 7.046 5.080 4.664 1.00 0.00 O ATOM 1174 OE2 GLU A 74 5.268 4.890 3.385 1.00 0.00 O ATOM 0 H GLU A 74 3.796 6.819 7.660 1.00 0.00 H new ATOM 0 HA GLU A 74 5.907 4.897 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.663 7.888 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.022 6.907 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.194 6.231 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.141 7.419 4.476 1.00 0.00 H new ATOM 1181 N LYS A 75 6.144 7.180 9.550 1.00 0.00 N ATOM 1182 CA LYS A 75 6.910 7.591 10.721 1.00 0.00 C ATOM 1183 C LYS A 75 6.823 6.541 11.824 1.00 0.00 C ATOM 1184 O LYS A 75 7.795 6.294 12.536 1.00 0.00 O ATOM 1185 CB LYS A 75 6.403 8.937 11.242 1.00 0.00 C ATOM 1186 CG LYS A 75 5.082 8.843 11.986 1.00 0.00 C ATOM 1187 CD LYS A 75 4.469 10.215 12.210 1.00 0.00 C ATOM 1188 CE LYS A 75 5.235 11.003 13.261 1.00 0.00 C ATOM 1189 NZ LYS A 75 4.322 11.768 14.156 1.00 0.00 N ATOM 0 H LYS A 75 5.257 7.670 9.434 1.00 0.00 H new ATOM 0 HA LYS A 75 7.953 7.694 10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.154 9.367 11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.289 9.623 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.388 8.222 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.239 8.352 12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.462 10.769 11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.431 10.104 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.840 10.320 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.922 11.691 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.882 12.383 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.681 12.351 13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.765 11.105 14.732 1.00 0.00 H new ATOM 1203 N ASN A 76 5.653 5.926 11.958 1.00 0.00 N ATOM 1204 CA ASN A 76 5.440 4.902 12.975 1.00 0.00 C ATOM 1205 C ASN A 76 5.795 3.520 12.437 1.00 0.00 C ATOM 1206 O ASN A 76 6.779 2.913 12.856 1.00 0.00 O ATOM 1207 CB ASN A 76 3.985 4.920 13.449 1.00 0.00 C ATOM 1208 CG ASN A 76 3.662 6.148 14.278 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.554 6.903 14.663 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.379 6.352 14.557 1.00 0.00 N ATOM 0 H ASN A 76 4.838 6.118 11.376 1.00 0.00 H new ATOM 0 HA ASN A 76 6.093 5.122 13.820 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.323 4.885 12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.787 4.025 14.038 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.100 7.161 15.112 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.673 5.699 14.217 1.00 0.00 H new ATOM 1217 N ASN A 77 4.985 3.028 11.505 1.00 0.00 N ATOM 1218 CA ASN A 77 5.213 1.716 10.909 1.00 0.00 C ATOM 1219 C ASN A 77 6.368 1.765 9.913 1.00 0.00 C ATOM 1220 O ASN A 77 6.598 2.784 9.261 1.00 0.00 O ATOM 1221 CB ASN A 77 3.944 1.222 10.211 1.00 0.00 C ATOM 1222 CG ASN A 77 4.248 0.357 9.003 1.00 0.00 C ATOM 1223 OD1 ASN A 77 4.326 -0.867 9.106 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.421 0.993 7.850 1.00 0.00 N ATOM 0 H ASN A 77 4.165 3.518 11.146 1.00 0.00 H new ATOM 0 HA ASN A 77 5.474 1.022 11.708 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.341 0.653 10.919 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.347 2.079 9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.628 0.465 7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.347 2.010 7.812 1.00 0.00 H new ATOM 1231 N LYS A 78 7.092 0.657 9.800 1.00 0.00 N ATOM 1232 CA LYS A 78 8.222 0.570 8.882 1.00 0.00 C ATOM 1233 C LYS A 78 8.493 -0.878 8.488 1.00 0.00 C ATOM 1234 O LYS A 78 9.629 -1.248 8.194 1.00 0.00 O ATOM 1235 CB LYS A 78 9.472 1.178 9.522 1.00 0.00 C ATOM 1236 CG LYS A 78 9.484 2.697 9.508 1.00 0.00 C ATOM 1237 CD LYS A 78 10.815 3.248 9.993 1.00 0.00 C ATOM 1238 CE LYS A 78 10.620 4.337 11.037 1.00 0.00 C ATOM 1239 NZ LYS A 78 10.445 5.678 10.414 1.00 0.00 N ATOM 0 H LYS A 78 6.916 -0.195 10.333 1.00 0.00 H new ATOM 0 HA LYS A 78 7.971 1.132 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.547 0.832 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.354 0.811 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.288 3.054 8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.681 3.074 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.412 2.440 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.374 3.649 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.747 4.103 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.480 4.357 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.451 6.408 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.223 5.855 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.539 5.709 9.905 1.00 0.00 H new ATOM 1253 N GLN A 79 7.442 -1.692 8.483 1.00 0.00 N ATOM 1254 CA GLN A 79 7.568 -3.099 8.123 1.00 0.00 C ATOM 1255 C GLN A 79 6.321 -3.590 7.396 1.00 0.00 C ATOM 1256 O GLN A 79 5.590 -2.802 6.794 1.00 0.00 O ATOM 1257 CB GLN A 79 7.810 -3.947 9.373 1.00 0.00 C ATOM 1258 CG GLN A 79 6.668 -3.894 10.375 1.00 0.00 C ATOM 1259 CD GLN A 79 6.651 -2.606 11.174 1.00 0.00 C ATOM 1260 OE1 GLN A 79 5.659 -1.876 11.176 1.00 0.00 O ATOM 1261 NE2 GLN A 79 7.752 -2.320 11.858 1.00 0.00 N ATOM 0 H GLN A 79 6.495 -1.401 8.724 1.00 0.00 H new ATOM 0 HA GLN A 79 8.421 -3.200 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.972 -4.983 9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.725 -3.609 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.721 -4.001 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.750 -4.740 11.058 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.551 -2.954 11.827 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.800 -1.466 12.414 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -19.146 10.072 19.653 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.862 8.932 20.542 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.366 11.027 20.470 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.326 10.760 18.797 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.236 12.109 18.328 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.326 12.483 17.302 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.707 12.142 17.892 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.087 11.635 16.035 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.170 13.991 16.991 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.415 14.784 18.159 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.073 14.551 15.863 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.138 14.010 15.553 1.00 0.00 O HETATM 1283 N36 PNS A 137 -21.690 15.663 15.219 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.476 16.457 15.491 1.00 0.00 C HETATM 1285 C38 PNS A 137 -20.612 17.817 14.801 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.504 18.793 15.254 1.00 0.00 C HETATM 1287 O40 PNS A 137 -19.547 19.243 16.399 1.00 0.00 O HETATM 1288 N41 PNS A 137 -18.525 19.122 14.401 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.360 18.668 13.004 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.068 19.240 12.419 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.050 21.070 12.320 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.227 18.910 13.028 1.00 0.00 H new HETATM 0 H431 PNS A 137 -16.919 18.830 11.420 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.213 18.988 12.406 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.335 17.579 12.967 1.00 0.00 H new HETATM 0 H382 PNS A 137 -21.589 18.244 15.026 1.00 0.00 H new HETATM 0 H381 PNS A 137 -20.563 17.685 13.720 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.593 15.934 15.124 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.345 16.590 16.565 1.00 0.00 H new HETATM 0 H313 PNS A 137 -21.843 11.876 15.288 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.152 10.577 16.288 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.097 11.852 15.633 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.484 12.403 17.174 1.00 0.00 H new HETATM 0 H302 PNS A 137 -22.859 12.706 18.812 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.757 11.075 18.109 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.256 12.263 17.876 1.00 0.00 H new HETATM 0 H281 PNS A 137 -20.304 12.786 19.180 1.00 0.00 H new HETATM 0 H44 PNS A 137 -15.919 21.466 11.816 1.00 0.00 H new HETATM 0 H41 PNS A 137 -17.812 19.759 14.756 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.297 15.992 14.468 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.320 15.158 18.117 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.139 14.063 16.643 1.00 0.00 H new