USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, 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 25 TYR OH : rot -12:sc= -0.353 USER MOD Set 1.2: A 29 THR OG1 : rot 77:sc= 0.182 USER MOD Set 1.3: A 57 THR OG1 : rot -69:sc= 0.0128 USER MOD Set 1.4: A 64 SER OG : rot 178:sc= -0.916! USER MOD Single : A 1 MET CE :methyl -124:sc= -5.83 (180deg=-13.4!) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.595 (180deg=-0.0225) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 11 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.1!) USER MOD Single : A 15 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0888 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0706 K(o=-0.071,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.82) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -159:sc= -2.55 (180deg=-3.04) USER MOD Single : A 44 ASN : amide:sc= -4.96! C(o=-5!,f=-4.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 62 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -123:sc= 1.22 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.97) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.427 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.563 -10.534 8.628 1.00 0.00 N ATOM 2 CA MET A 1 -11.131 -10.770 8.707 1.00 0.00 C ATOM 3 C MET A 1 -10.556 -10.223 10.015 1.00 0.00 C ATOM 4 O MET A 1 -11.288 -9.672 10.836 1.00 0.00 O ATOM 5 CB MET A 1 -10.436 -10.094 7.523 1.00 0.00 C ATOM 6 CG MET A 1 -10.561 -8.572 7.609 1.00 0.00 C ATOM 7 SD MET A 1 -11.880 -8.006 6.548 1.00 0.00 S ATOM 8 CE MET A 1 -11.929 -6.282 7.006 1.00 0.00 C ATOM 0 H1 MET A 1 -13.046 -11.416 8.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.914 -10.214 9.553 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.756 -9.804 7.913 1.00 0.00 H new ATOM 0 HA MET A 1 -10.957 -11.846 8.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.383 -10.375 7.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.875 -10.446 6.590 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.758 -8.273 8.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.621 -8.105 7.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.935 -6.022 7.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.222 -6.100 7.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.660 -5.669 6.146 1.00 0.00 H new ATOM 18 N ASP A 2 -9.252 -10.396 10.169 1.00 0.00 N ATOM 19 CA ASP A 2 -8.571 -9.927 11.364 1.00 0.00 C ATOM 20 C ASP A 2 -7.566 -8.839 10.979 1.00 0.00 C ATOM 21 O ASP A 2 -6.924 -8.924 9.934 1.00 0.00 O ATOM 22 CB ASP A 2 -7.801 -11.063 12.041 1.00 0.00 C ATOM 23 CG ASP A 2 -8.395 -11.546 13.366 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.618 -11.803 13.379 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.613 -11.647 14.335 1.00 0.00 O ATOM 0 H ASP A 2 -8.649 -10.854 9.486 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.324 -9.541 12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.750 -11.907 11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.777 -10.733 12.218 1.00 0.00 H new ATOM 30 N ILE A 3 -7.461 -7.842 11.845 1.00 0.00 N ATOM 31 CA ILE A 3 -6.546 -6.738 11.609 1.00 0.00 C ATOM 32 C ILE A 3 -5.648 -6.555 12.835 1.00 0.00 C ATOM 33 O ILE A 3 -6.085 -6.764 13.965 1.00 0.00 O ATOM 34 CB ILE A 3 -7.317 -5.476 11.218 1.00 0.00 C ATOM 35 CG1 ILE A 3 -7.996 -5.649 9.858 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.409 -4.246 11.253 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.719 -4.367 9.439 1.00 0.00 C ATOM 0 H ILE A 3 -7.995 -7.776 12.712 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.893 -6.959 10.764 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.105 -5.315 11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.252 -5.913 9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.708 -6.473 9.905 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.982 -3.363 10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.012 -4.115 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.585 -4.382 10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.193 -4.517 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.479 -4.119 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.001 -3.550 9.369 1.00 0.00 H new ATOM 49 N LYS A 4 -4.410 -6.166 12.569 1.00 0.00 N ATOM 50 CA LYS A 4 -3.447 -5.953 13.636 1.00 0.00 C ATOM 51 C LYS A 4 -2.685 -4.652 13.376 1.00 0.00 C ATOM 52 O LYS A 4 -1.898 -4.566 12.434 1.00 0.00 O ATOM 53 CB LYS A 4 -2.541 -7.175 13.793 1.00 0.00 C ATOM 54 CG LYS A 4 -1.604 -7.321 12.592 1.00 0.00 C ATOM 55 CD LYS A 4 -1.005 -8.728 12.531 1.00 0.00 C ATOM 56 CE LYS A 4 0.520 -8.680 12.646 1.00 0.00 C ATOM 57 NZ LYS A 4 1.122 -9.905 12.075 1.00 0.00 N ATOM 0 H LYS A 4 -4.051 -5.993 11.630 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.957 -5.839 14.592 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.955 -7.082 14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.150 -8.073 13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.151 -7.115 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.804 -6.584 12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.415 -9.337 13.337 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.288 -9.207 11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.902 -7.803 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.809 -8.580 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.157 -9.856 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.771 -10.737 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.862 -9.984 11.071 1.00 0.00 H new ATOM 71 N ILE A 5 -2.945 -3.671 14.228 1.00 0.00 N ATOM 72 CA ILE A 5 -2.293 -2.378 14.102 1.00 0.00 C ATOM 73 C ILE A 5 -0.786 -2.551 14.298 1.00 0.00 C ATOM 74 O ILE A 5 -0.331 -2.867 15.396 1.00 0.00 O ATOM 75 CB ILE A 5 -2.925 -1.364 15.058 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.396 -1.127 14.711 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.125 -0.061 15.083 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.271 -1.183 15.965 1.00 0.00 C ATOM 0 H ILE A 5 -3.598 -3.745 15.008 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.441 -1.973 13.101 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.894 -1.779 16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.508 -0.156 14.228 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.730 -1.879 13.996 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.596 0.642 15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.107 -0.265 15.414 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.101 0.371 14.082 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.312 -1.011 15.690 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.176 -2.163 16.432 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.950 -0.414 16.668 1.00 0.00 H new ATOM 90 N ILE A 6 -0.052 -2.335 13.216 1.00 0.00 N ATOM 91 CA ILE A 6 1.395 -2.463 13.255 1.00 0.00 C ATOM 92 C ILE A 6 1.989 -1.260 13.989 1.00 0.00 C ATOM 93 O ILE A 6 2.486 -1.393 15.107 1.00 0.00 O ATOM 94 CB ILE A 6 1.954 -2.660 11.844 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.530 -4.013 11.270 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.473 -2.479 11.826 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.522 -5.110 11.664 1.00 0.00 C ATOM 0 H ILE A 6 -0.432 -2.072 12.307 1.00 0.00 H new ATOM 0 HA ILE A 6 1.684 -3.353 13.814 1.00 0.00 H new ATOM 0 HB ILE A 6 1.531 -1.890 11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.535 -4.270 11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.467 -3.948 10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.845 -2.624 10.812 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.724 -1.473 12.164 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.934 -3.210 12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.198 -6.062 11.243 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.511 -4.861 11.279 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.565 -5.189 12.750 1.00 0.00 H new ATOM 109 N LYS A 7 1.919 -0.111 13.332 1.00 0.00 N ATOM 110 CA LYS A 7 2.443 1.115 13.909 1.00 0.00 C ATOM 111 C LYS A 7 1.610 2.301 13.420 1.00 0.00 C ATOM 112 O LYS A 7 0.995 2.236 12.357 1.00 0.00 O ATOM 113 CB LYS A 7 3.938 1.250 13.611 1.00 0.00 C ATOM 114 CG LYS A 7 4.779 0.684 14.757 1.00 0.00 C ATOM 115 CD LYS A 7 5.867 1.673 15.180 1.00 0.00 C ATOM 116 CE LYS A 7 6.732 1.091 16.299 1.00 0.00 C ATOM 117 NZ LYS A 7 7.957 1.902 16.482 1.00 0.00 N ATOM 0 H LYS A 7 1.507 -0.004 12.405 1.00 0.00 H new ATOM 0 HA LYS A 7 2.358 1.092 14.995 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.177 0.725 12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.188 2.299 13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.136 0.459 15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.237 -0.255 14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.493 1.919 14.322 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.408 2.602 15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.164 1.064 17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.002 0.062 16.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.533 1.493 17.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.506 1.906 15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.694 2.877 16.731 1.00 0.00 H new ATOM 131 N ASP A 8 1.615 3.357 14.221 1.00 0.00 N ATOM 132 CA ASP A 8 0.867 4.555 13.883 1.00 0.00 C ATOM 133 C ASP A 8 1.813 5.758 13.878 1.00 0.00 C ATOM 134 O ASP A 8 2.302 6.171 14.928 1.00 0.00 O ATOM 135 CB ASP A 8 -0.235 4.825 14.910 1.00 0.00 C ATOM 136 CG ASP A 8 -0.698 6.280 14.995 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.653 6.952 13.942 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.087 6.688 16.110 1.00 0.00 O ATOM 0 H ASP A 8 2.125 3.407 15.103 1.00 0.00 H new ATOM 0 HA ASP A 8 0.417 4.405 12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.095 4.199 14.671 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.121 4.515 15.892 1.00 0.00 H new ATOM 143 N LYS A 9 2.042 6.285 12.684 1.00 0.00 N ATOM 144 CA LYS A 9 2.921 7.432 12.529 1.00 0.00 C ATOM 145 C LYS A 9 2.077 8.694 12.345 1.00 0.00 C ATOM 146 O LYS A 9 0.986 8.639 11.779 1.00 0.00 O ATOM 147 CB LYS A 9 3.921 7.190 11.397 1.00 0.00 C ATOM 148 CG LYS A 9 4.582 8.499 10.961 1.00 0.00 C ATOM 149 CD LYS A 9 6.025 8.262 10.511 1.00 0.00 C ATOM 150 CE LYS A 9 6.259 8.816 9.104 1.00 0.00 C ATOM 151 NZ LYS A 9 6.277 7.718 8.111 1.00 0.00 N ATOM 0 H LYS A 9 1.634 5.939 11.815 1.00 0.00 H new ATOM 0 HA LYS A 9 3.521 7.578 13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.684 6.485 11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.411 6.735 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.012 8.944 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.567 9.211 11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.711 8.738 11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.244 7.194 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.474 9.529 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.204 9.358 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.437 8.111 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.042 7.052 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.365 7.218 8.130 1.00 0.00 H new ATOM 165 N LYS A 10 2.614 9.803 12.834 1.00 0.00 N ATOM 166 CA LYS A 10 1.924 11.077 12.731 1.00 0.00 C ATOM 167 C LYS A 10 2.729 12.017 11.831 1.00 0.00 C ATOM 168 O LYS A 10 3.955 11.937 11.783 1.00 0.00 O ATOM 169 CB LYS A 10 1.644 11.649 14.122 1.00 0.00 C ATOM 170 CG LYS A 10 0.159 11.979 14.291 1.00 0.00 C ATOM 171 CD LYS A 10 -0.028 13.274 15.084 1.00 0.00 C ATOM 172 CE LYS A 10 -1.232 14.064 14.568 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.955 14.700 15.692 1.00 0.00 N ATOM 0 H LYS A 10 3.519 9.845 13.303 1.00 0.00 H new ATOM 0 HA LYS A 10 0.948 10.945 12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.949 10.931 14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.240 12.549 14.276 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.309 12.077 13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.343 11.159 14.804 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.167 13.041 16.140 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.872 13.884 15.008 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.899 14.827 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.904 13.400 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.769 15.232 15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.289 13.967 16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.315 15.349 16.193 1.00 0.00 H new ATOM 187 N ASN A 11 2.006 12.885 11.139 1.00 0.00 N ATOM 188 CA ASN A 11 2.637 13.838 10.243 1.00 0.00 C ATOM 189 C ASN A 11 1.813 15.128 10.214 1.00 0.00 C ATOM 190 O ASN A 11 0.839 15.230 9.471 1.00 0.00 O ATOM 191 CB ASN A 11 2.707 13.291 8.816 1.00 0.00 C ATOM 192 CG ASN A 11 3.531 14.212 7.915 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.136 15.176 8.355 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.521 13.864 6.631 1.00 0.00 N ATOM 0 H ASN A 11 0.989 12.948 11.181 1.00 0.00 H new ATOM 0 HA ASN A 11 3.647 14.025 10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.150 12.295 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.700 13.188 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.041 14.416 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.994 13.045 6.329 1.00 0.00 H new ATOM 201 N PRO A 12 2.246 16.105 11.055 1.00 0.00 N ATOM 202 CA PRO A 12 1.560 17.383 11.133 1.00 0.00 C ATOM 203 C PRO A 12 1.872 18.249 9.910 1.00 0.00 C ATOM 204 O PRO A 12 1.169 19.220 9.638 1.00 0.00 O ATOM 205 CB PRO A 12 2.033 18.005 12.437 1.00 0.00 C ATOM 206 CG PRO A 12 3.311 17.270 12.810 1.00 0.00 C ATOM 207 CD PRO A 12 3.397 16.019 11.950 1.00 0.00 C ATOM 0 HA PRO A 12 0.475 17.278 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.217 19.072 12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.279 17.898 13.217 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.180 17.907 12.645 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.305 17.007 13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.332 15.986 11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.358 15.116 12.559 1.00 0.00 H new ATOM 215 N LEU A 13 2.927 17.864 9.207 1.00 0.00 N ATOM 216 CA LEU A 13 3.341 18.593 8.020 1.00 0.00 C ATOM 217 C LEU A 13 2.229 18.523 6.971 1.00 0.00 C ATOM 218 O LEU A 13 1.648 19.545 6.608 1.00 0.00 O ATOM 219 CB LEU A 13 4.692 18.079 7.519 1.00 0.00 C ATOM 220 CG LEU A 13 5.809 18.003 8.562 1.00 0.00 C ATOM 221 CD1 LEU A 13 7.091 17.434 7.952 1.00 0.00 C ATOM 222 CD2 LEU A 13 6.041 19.367 9.216 1.00 0.00 C ATOM 0 H LEU A 13 3.507 17.057 9.436 1.00 0.00 H new ATOM 0 HA LEU A 13 3.494 19.647 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.547 17.084 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.025 18.724 6.705 1.00 0.00 H new ATOM 0 HG LEU A 13 5.496 17.317 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.869 17.391 8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.899 16.431 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.420 18.075 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.840 19.286 9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.323 20.093 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.125 19.695 9.708 1.00 0.00 H new ATOM 234 N LEU A 14 1.967 17.308 6.513 1.00 0.00 N ATOM 235 CA LEU A 14 0.935 17.092 5.512 1.00 0.00 C ATOM 236 C LEU A 14 -0.436 17.099 6.191 1.00 0.00 C ATOM 237 O LEU A 14 -1.450 17.365 5.546 1.00 0.00 O ATOM 238 CB LEU A 14 1.221 15.817 4.715 1.00 0.00 C ATOM 239 CG LEU A 14 2.541 15.791 3.943 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.633 14.547 3.056 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.735 17.081 3.144 1.00 0.00 C ATOM 0 H LEU A 14 2.451 16.463 6.816 1.00 0.00 H new ATOM 0 HA LEU A 14 0.934 17.902 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.209 14.972 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.406 15.664 4.007 1.00 0.00 H new ATOM 0 HG LEU A 14 3.357 15.734 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.581 14.553 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.573 13.653 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.810 14.548 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.681 17.036 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.917 17.195 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.745 17.932 3.825 1.00 0.00 H new ATOM 253 N ASN A 15 -0.423 16.804 7.482 1.00 0.00 N ATOM 254 CA ASN A 15 -1.654 16.773 8.255 1.00 0.00 C ATOM 255 C ASN A 15 -2.351 15.428 8.041 1.00 0.00 C ATOM 256 O ASN A 15 -3.573 15.372 7.910 1.00 0.00 O ATOM 257 CB ASN A 15 -2.612 17.878 7.808 1.00 0.00 C ATOM 258 CG ASN A 15 -3.597 18.234 8.924 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.777 17.932 8.865 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.047 18.891 9.941 1.00 0.00 N ATOM 0 H ASN A 15 0.420 16.584 8.013 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.398 16.920 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.044 18.764 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.160 17.553 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.621 19.174 10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.051 19.112 9.927 1.00 0.00 H new ATOM 267 N ARG A 16 -1.544 14.377 8.013 1.00 0.00 N ATOM 268 CA ARG A 16 -2.069 13.036 7.818 1.00 0.00 C ATOM 269 C ARG A 16 -1.554 12.100 8.914 1.00 0.00 C ATOM 270 O ARG A 16 -0.941 12.549 9.881 1.00 0.00 O ATOM 271 CB ARG A 16 -1.665 12.480 6.451 1.00 0.00 C ATOM 272 CG ARG A 16 -0.183 12.100 6.429 1.00 0.00 C ATOM 273 CD ARG A 16 0.295 11.842 4.999 1.00 0.00 C ATOM 274 NE ARG A 16 1.731 11.480 5.003 1.00 0.00 N ATOM 275 CZ ARG A 16 2.452 11.255 3.897 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.876 11.352 2.690 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.748 10.933 3.996 1.00 0.00 N ATOM 0 H ARG A 16 -0.531 14.427 8.122 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.156 13.095 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.272 11.605 6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.865 13.223 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.408 12.900 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.023 11.209 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.290 11.039 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.137 12.731 4.388 1.00 0.00 H new ATOM 0 HE ARG A 16 2.200 11.397 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.889 11.597 2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.425 11.181 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.186 10.859 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.297 10.762 3.153 1.00 0.00 H new ATOM 291 N ARG A 17 -1.821 10.816 8.725 1.00 0.00 N ATOM 292 CA ARG A 17 -1.392 9.813 9.684 1.00 0.00 C ATOM 293 C ARG A 17 -1.120 8.484 8.977 1.00 0.00 C ATOM 294 O ARG A 17 -2.033 7.870 8.429 1.00 0.00 O ATOM 295 CB ARG A 17 -2.451 9.599 10.768 1.00 0.00 C ATOM 296 CG ARG A 17 -1.817 9.594 12.160 1.00 0.00 C ATOM 297 CD ARG A 17 -2.784 10.155 13.205 1.00 0.00 C ATOM 298 NE ARG A 17 -3.115 9.111 14.201 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.785 9.343 15.338 1.00 0.00 C ATOM 300 NH1 ARG A 17 -4.199 10.584 15.630 1.00 0.00 N ATOM 301 NH2 ARG A 17 -4.041 8.335 16.182 1.00 0.00 N ATOM 0 H ARG A 17 -2.329 10.447 7.921 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.476 10.173 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.201 10.387 10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.967 8.654 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.533 8.577 12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.903 10.188 12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.336 11.015 13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.694 10.507 12.719 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.814 8.155 14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.004 11.351 14.987 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.709 10.761 16.495 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.726 7.391 15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.551 8.512 17.048 1.00 0.00 H new ATOM 315 N GLU A 18 0.141 8.079 9.013 1.00 0.00 N ATOM 316 CA GLU A 18 0.545 6.834 8.383 1.00 0.00 C ATOM 317 C GLU A 18 0.389 5.668 9.362 1.00 0.00 C ATOM 318 O GLU A 18 1.210 5.494 10.261 1.00 0.00 O ATOM 319 CB GLU A 18 1.981 6.923 7.862 1.00 0.00 C ATOM 320 CG GLU A 18 2.189 8.200 7.044 1.00 0.00 C ATOM 321 CD GLU A 18 1.573 8.064 5.650 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.654 6.945 5.100 1.00 0.00 O ATOM 323 OE2 GLU A 18 1.034 9.083 5.166 1.00 0.00 O ATOM 0 H GLU A 18 0.896 8.591 9.469 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.107 6.655 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.678 6.906 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.203 6.052 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.739 9.046 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.255 8.410 6.956 1.00 0.00 H new ATOM 330 N LEU A 19 -0.670 4.900 9.153 1.00 0.00 N ATOM 331 CA LEU A 19 -0.944 3.756 10.006 1.00 0.00 C ATOM 332 C LEU A 19 -0.663 2.468 9.230 1.00 0.00 C ATOM 333 O LEU A 19 -1.078 2.329 8.080 1.00 0.00 O ATOM 334 CB LEU A 19 -2.364 3.836 10.571 1.00 0.00 C ATOM 335 CG LEU A 19 -2.826 5.221 11.029 1.00 0.00 C ATOM 336 CD1 LEU A 19 -4.067 5.669 10.255 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.052 5.251 12.542 1.00 0.00 C ATOM 0 H LEU A 19 -1.348 5.047 8.406 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.281 3.759 10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.057 3.477 9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.436 3.152 11.417 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.033 5.936 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.374 6.656 10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.836 5.712 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.876 4.958 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.380 6.247 12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.816 4.521 12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.121 5.006 13.054 1.00 0.00 H new ATOM 349 N ASP A 20 0.039 1.558 9.889 1.00 0.00 N ATOM 350 CA ASP A 20 0.380 0.286 9.276 1.00 0.00 C ATOM 351 C ASP A 20 -0.307 -0.846 10.042 1.00 0.00 C ATOM 352 O ASP A 20 -0.385 -0.811 11.270 1.00 0.00 O ATOM 353 CB ASP A 20 1.889 0.039 9.321 1.00 0.00 C ATOM 354 CG ASP A 20 2.746 1.165 8.738 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.141 2.143 8.247 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.986 1.023 8.797 1.00 0.00 O ATOM 0 H ASP A 20 0.381 1.677 10.843 1.00 0.00 H new ATOM 0 HA ASP A 20 0.050 0.314 8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.185 -0.123 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.108 -0.881 8.780 1.00 0.00 H new ATOM 361 N PHE A 21 -0.789 -1.822 9.287 1.00 0.00 N ATOM 362 CA PHE A 21 -1.466 -2.963 9.881 1.00 0.00 C ATOM 363 C PHE A 21 -1.430 -4.171 8.943 1.00 0.00 C ATOM 364 O PHE A 21 -1.121 -4.034 7.760 1.00 0.00 O ATOM 365 CB PHE A 21 -2.923 -2.550 10.105 1.00 0.00 C ATOM 366 CG PHE A 21 -3.681 -2.219 8.818 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.619 -0.964 8.296 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.417 -3.179 8.197 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.323 -0.657 7.102 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.121 -2.871 7.002 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.059 -1.617 6.480 1.00 0.00 C ATOM 0 H PHE A 21 -0.724 -1.847 8.269 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.974 -3.245 10.812 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.443 -3.356 10.624 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.947 -1.681 10.762 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.035 -0.202 8.790 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.466 -4.175 8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.274 0.339 6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.706 -3.633 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.594 -1.383 5.572 1.00 0.00 H new ATOM 381 N ILE A 22 -1.750 -5.327 9.506 1.00 0.00 N ATOM 382 CA ILE A 22 -1.757 -6.558 8.735 1.00 0.00 C ATOM 383 C ILE A 22 -3.163 -7.161 8.760 1.00 0.00 C ATOM 384 O ILE A 22 -3.789 -7.244 9.816 1.00 0.00 O ATOM 385 CB ILE A 22 -0.671 -7.511 9.237 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.703 -6.838 9.212 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.682 -8.821 8.446 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.151 -6.560 7.776 1.00 0.00 C ATOM 0 H ILE A 22 -2.006 -5.437 10.487 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.514 -6.356 7.692 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.889 -7.760 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.665 -5.904 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.434 -7.477 9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.100 -9.480 8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.652 -9.306 8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.502 -8.611 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.130 -6.081 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.212 -7.499 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.431 -5.901 7.291 1.00 0.00 H new ATOM 400 N VAL A 23 -3.619 -7.568 7.584 1.00 0.00 N ATOM 401 CA VAL A 23 -4.939 -8.161 7.457 1.00 0.00 C ATOM 402 C VAL A 23 -4.801 -9.679 7.323 1.00 0.00 C ATOM 403 O VAL A 23 -4.080 -10.166 6.453 1.00 0.00 O ATOM 404 CB VAL A 23 -5.689 -7.523 6.286 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.183 -7.848 6.349 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.458 -6.011 6.245 1.00 0.00 C ATOM 0 H VAL A 23 -3.097 -7.498 6.710 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.533 -7.966 8.350 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.293 -7.947 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.693 -7.382 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.323 -8.928 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.600 -7.465 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.002 -5.582 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.814 -5.563 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.393 -5.809 6.129 1.00 0.00 H new ATOM 416 N LYS A 24 -5.503 -10.384 8.197 1.00 0.00 N ATOM 417 CA LYS A 24 -5.468 -11.837 8.188 1.00 0.00 C ATOM 418 C LYS A 24 -6.888 -12.376 8.004 1.00 0.00 C ATOM 419 O LYS A 24 -7.850 -11.775 8.479 1.00 0.00 O ATOM 420 CB LYS A 24 -4.767 -12.364 9.442 1.00 0.00 C ATOM 421 CG LYS A 24 -3.264 -12.519 9.205 1.00 0.00 C ATOM 422 CD LYS A 24 -2.522 -12.744 10.525 1.00 0.00 C ATOM 423 CE LYS A 24 -1.086 -13.209 10.274 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.945 -14.648 10.587 1.00 0.00 N ATOM 0 H LYS A 24 -6.100 -9.976 8.917 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.878 -12.199 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.939 -11.681 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.195 -13.325 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.083 -13.358 8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.876 -11.627 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.513 -11.820 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.050 -13.488 11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.816 -13.029 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.397 -12.628 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.035 -14.947 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.183 -14.811 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.588 -15.199 9.984 1.00 0.00 H new ATOM 438 N TYR A 25 -6.974 -13.503 7.313 1.00 0.00 N ATOM 439 CA TYR A 25 -8.260 -14.130 7.060 1.00 0.00 C ATOM 440 C TYR A 25 -8.088 -15.604 6.688 1.00 0.00 C ATOM 441 O TYR A 25 -6.966 -16.105 6.623 1.00 0.00 O ATOM 442 CB TYR A 25 -8.866 -13.384 5.870 1.00 0.00 C ATOM 443 CG TYR A 25 -7.911 -13.219 4.687 1.00 0.00 C ATOM 444 CD1 TYR A 25 -6.847 -12.345 4.775 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.114 -13.944 3.530 1.00 0.00 C ATOM 446 CE1 TYR A 25 -5.947 -12.190 3.661 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.215 -13.789 2.416 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.176 -12.920 2.537 1.00 0.00 C ATOM 449 OH TYR A 25 -5.327 -12.773 1.484 1.00 0.00 O ATOM 0 H TYR A 25 -6.174 -13.998 6.920 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.890 -14.084 7.948 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.755 -13.918 5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.192 -12.398 6.201 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.689 -11.777 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.947 -14.628 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.110 -11.510 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.362 -14.350 1.505 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.755 -11.991 1.632 1.00 0.00 H new ATOM 459 N GLU A 26 -9.216 -16.258 6.453 1.00 0.00 N ATOM 460 CA GLU A 26 -9.205 -17.665 6.090 1.00 0.00 C ATOM 461 C GLU A 26 -10.112 -17.908 4.882 1.00 0.00 C ATOM 462 O GLU A 26 -11.155 -18.550 5.004 1.00 0.00 O ATOM 463 CB GLU A 26 -9.620 -18.541 7.273 1.00 0.00 C ATOM 464 CG GLU A 26 -8.395 -19.037 8.044 1.00 0.00 C ATOM 465 CD GLU A 26 -8.348 -20.566 8.073 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.151 -21.145 8.836 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.511 -21.123 7.330 1.00 0.00 O ATOM 0 H GLU A 26 -10.144 -15.839 6.507 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.187 -17.941 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.269 -17.974 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.198 -19.393 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.488 -18.650 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.421 -18.651 9.063 1.00 0.00 H new ATOM 474 N GLY A 27 -9.683 -17.383 3.744 1.00 0.00 N ATOM 475 CA GLY A 27 -10.444 -17.535 2.516 1.00 0.00 C ATOM 476 C GLY A 27 -10.189 -16.365 1.564 1.00 0.00 C ATOM 477 O GLY A 27 -9.105 -15.784 1.566 1.00 0.00 O ATOM 0 H GLY A 27 -8.818 -16.852 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.171 -18.471 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.507 -17.594 2.748 1.00 0.00 H new ATOM 481 N SER A 28 -11.205 -16.055 0.772 1.00 0.00 N ATOM 482 CA SER A 28 -11.104 -14.965 -0.183 1.00 0.00 C ATOM 483 C SER A 28 -10.614 -13.697 0.520 1.00 0.00 C ATOM 484 O SER A 28 -11.138 -13.322 1.567 1.00 0.00 O ATOM 485 CB SER A 28 -12.448 -14.706 -0.867 1.00 0.00 C ATOM 486 OG SER A 28 -13.286 -15.859 -0.852 1.00 0.00 O ATOM 0 H SER A 28 -12.102 -16.540 0.772 1.00 0.00 H new ATOM 0 HA SER A 28 -10.384 -15.249 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.956 -13.882 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.276 -14.396 -1.898 1.00 0.00 H new ATOM 0 HG SER A 28 -14.135 -15.652 -1.296 1.00 0.00 H new ATOM 492 N THR A 29 -9.614 -13.073 -0.085 1.00 0.00 N ATOM 493 CA THR A 29 -9.047 -11.856 0.469 1.00 0.00 C ATOM 494 C THR A 29 -10.139 -10.805 0.677 1.00 0.00 C ATOM 495 O THR A 29 -11.104 -10.748 -0.084 1.00 0.00 O ATOM 496 CB THR A 29 -7.925 -11.390 -0.461 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.041 -10.671 0.394 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.399 -10.344 -1.472 1.00 0.00 C ATOM 0 H THR A 29 -9.182 -13.388 -0.954 1.00 0.00 H new ATOM 0 HA THR A 29 -8.618 -12.034 1.455 1.00 0.00 H new ATOM 0 HB THR A 29 -7.514 -12.248 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.513 -11.303 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.564 -10.047 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.192 -10.767 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.779 -9.471 -0.941 1.00 0.00 H new ATOM 506 N PRO A 30 -9.946 -9.977 1.739 1.00 0.00 N ATOM 507 CA PRO A 30 -10.903 -8.932 2.056 1.00 0.00 C ATOM 508 C PRO A 30 -10.782 -7.762 1.078 1.00 0.00 C ATOM 509 O PRO A 30 -9.879 -7.737 0.243 1.00 0.00 O ATOM 510 CB PRO A 30 -10.596 -8.540 3.492 1.00 0.00 C ATOM 511 CG PRO A 30 -9.190 -9.045 3.770 1.00 0.00 C ATOM 512 CD PRO A 30 -8.815 -10.015 2.662 1.00 0.00 C ATOM 0 HA PRO A 30 -11.936 -9.265 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.656 -7.460 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.314 -8.985 4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.486 -8.214 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.147 -9.539 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.891 -9.715 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.656 -11.020 3.052 1.00 0.00 H new ATOM 520 N SER A 31 -11.704 -6.820 1.214 1.00 0.00 N ATOM 521 CA SER A 31 -11.712 -5.650 0.353 1.00 0.00 C ATOM 522 C SER A 31 -11.221 -4.426 1.128 1.00 0.00 C ATOM 523 O SER A 31 -11.394 -4.347 2.344 1.00 0.00 O ATOM 524 CB SER A 31 -13.109 -5.393 -0.215 1.00 0.00 C ATOM 525 OG SER A 31 -13.571 -6.483 -1.008 1.00 0.00 O ATOM 0 H SER A 31 -12.451 -6.844 1.908 1.00 0.00 H new ATOM 0 HA SER A 31 -11.038 -5.837 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.807 -5.219 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.094 -4.486 -0.819 1.00 0.00 H new ATOM 0 HG SER A 31 -14.467 -6.281 -1.351 1.00 0.00 H new ATOM 531 N ARG A 32 -10.620 -3.502 0.394 1.00 0.00 N ATOM 532 CA ARG A 32 -10.103 -2.285 0.998 1.00 0.00 C ATOM 533 C ARG A 32 -11.184 -1.612 1.846 1.00 0.00 C ATOM 534 O ARG A 32 -10.897 -1.079 2.916 1.00 0.00 O ATOM 535 CB ARG A 32 -9.617 -1.303 -0.070 1.00 0.00 C ATOM 536 CG ARG A 32 -8.416 -1.869 -0.830 1.00 0.00 C ATOM 537 CD ARG A 32 -8.628 -1.770 -2.342 1.00 0.00 C ATOM 538 NE ARG A 32 -7.879 -0.614 -2.884 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.781 -0.327 -4.189 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.383 -1.110 -5.094 1.00 0.00 N ATOM 541 NH2 ARG A 32 -7.080 0.743 -4.589 1.00 0.00 N ATOM 0 H ARG A 32 -10.479 -3.571 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.260 -2.562 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.426 -1.090 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.343 -0.358 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.514 -1.325 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.261 -2.910 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.295 -2.689 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.690 -1.661 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.408 0.003 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.916 -1.925 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.308 -0.892 -6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.621 1.339 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.005 0.961 -5.583 1.00 0.00 H new ATOM 555 N ASN A 33 -12.406 -1.660 1.335 1.00 0.00 N ATOM 556 CA ASN A 33 -13.532 -1.062 2.032 1.00 0.00 C ATOM 557 C ASN A 33 -13.755 -1.795 3.356 1.00 0.00 C ATOM 558 O ASN A 33 -13.874 -1.166 4.406 1.00 0.00 O ATOM 559 CB ASN A 33 -14.815 -1.176 1.206 1.00 0.00 C ATOM 560 CG ASN A 33 -14.871 -0.092 0.128 1.00 0.00 C ATOM 561 OD1 ASN A 33 -14.209 0.930 0.203 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.698 -0.371 -0.877 1.00 0.00 N ATOM 0 H ASN A 33 -12.641 -2.104 0.447 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.304 -0.009 2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.866 -2.160 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.682 -1.088 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.807 0.290 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.223 -1.246 -0.878 1.00 0.00 H new ATOM 569 N ASP A 34 -13.805 -3.116 3.263 1.00 0.00 N ATOM 570 CA ASP A 34 -14.011 -3.942 4.440 1.00 0.00 C ATOM 571 C ASP A 34 -12.914 -3.645 5.464 1.00 0.00 C ATOM 572 O ASP A 34 -13.202 -3.412 6.637 1.00 0.00 O ATOM 573 CB ASP A 34 -13.941 -5.429 4.089 1.00 0.00 C ATOM 574 CG ASP A 34 -15.287 -6.156 4.077 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.315 -5.446 4.120 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.258 -7.404 4.026 1.00 0.00 O ATOM 0 H ASP A 34 -13.706 -3.635 2.390 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.997 -3.714 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.480 -5.533 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.284 -5.925 4.804 1.00 0.00 H new ATOM 581 N VAL A 35 -11.679 -3.664 4.984 1.00 0.00 N ATOM 582 CA VAL A 35 -10.538 -3.401 5.844 1.00 0.00 C ATOM 583 C VAL A 35 -10.595 -1.951 6.329 1.00 0.00 C ATOM 584 O VAL A 35 -10.213 -1.656 7.460 1.00 0.00 O ATOM 585 CB VAL A 35 -9.240 -3.734 5.106 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.019 -3.328 5.934 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.184 -5.218 4.738 1.00 0.00 C ATOM 0 H VAL A 35 -11.444 -3.857 4.011 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.568 -4.040 6.726 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.224 -3.158 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.110 -3.576 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.048 -2.255 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.028 -3.864 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.251 -5.428 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.234 -5.820 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.026 -5.465 4.092 1.00 0.00 H new ATOM 597 N ARG A 36 -11.074 -1.084 5.449 1.00 0.00 N ATOM 598 CA ARG A 36 -11.186 0.328 5.773 1.00 0.00 C ATOM 599 C ARG A 36 -12.207 0.536 6.893 1.00 0.00 C ATOM 600 O ARG A 36 -11.903 1.164 7.906 1.00 0.00 O ATOM 601 CB ARG A 36 -11.609 1.142 4.549 1.00 0.00 C ATOM 602 CG ARG A 36 -10.397 1.789 3.875 1.00 0.00 C ATOM 603 CD ARG A 36 -10.797 3.069 3.139 1.00 0.00 C ATOM 604 NE ARG A 36 -10.057 3.169 1.860 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.306 2.408 0.787 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.277 1.485 0.830 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.585 2.569 -0.331 1.00 0.00 N ATOM 0 H ARG A 36 -11.389 -1.332 4.511 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.205 0.671 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.123 0.495 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.318 1.914 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.639 2.018 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.949 1.086 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.870 3.069 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.584 3.938 3.761 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.311 3.861 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.827 1.362 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.466 0.905 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.846 3.271 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.775 1.989 -1.148 1.00 0.00 H new ATOM 621 N ASN A 37 -13.397 -0.004 6.674 1.00 0.00 N ATOM 622 CA ASN A 37 -14.465 0.115 7.652 1.00 0.00 C ATOM 623 C ASN A 37 -13.998 -0.477 8.984 1.00 0.00 C ATOM 624 O ASN A 37 -14.444 -0.049 10.047 1.00 0.00 O ATOM 625 CB ASN A 37 -15.710 -0.652 7.204 1.00 0.00 C ATOM 626 CG ASN A 37 -16.762 0.299 6.628 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.122 1.301 7.222 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.231 -0.071 5.440 1.00 0.00 N ATOM 0 H ASN A 37 -13.645 -0.525 5.833 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.711 1.172 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.435 -1.393 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.130 -1.196 8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.936 0.497 4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.886 -0.923 4.998 1.00 0.00 H new ATOM 635 N LYS A 38 -13.108 -1.452 8.881 1.00 0.00 N ATOM 636 CA LYS A 38 -12.576 -2.108 10.064 1.00 0.00 C ATOM 637 C LYS A 38 -11.670 -1.133 10.818 1.00 0.00 C ATOM 638 O LYS A 38 -11.845 -0.916 12.016 1.00 0.00 O ATOM 639 CB LYS A 38 -11.888 -3.421 9.686 1.00 0.00 C ATOM 640 CG LYS A 38 -11.970 -4.432 10.831 1.00 0.00 C ATOM 641 CD LYS A 38 -12.266 -5.837 10.301 1.00 0.00 C ATOM 642 CE LYS A 38 -12.866 -6.721 11.396 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.345 -6.691 11.334 1.00 0.00 N ATOM 0 H LYS A 38 -12.741 -1.804 7.997 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.383 -2.383 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.356 -3.837 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.844 -3.230 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.030 -4.438 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.750 -4.132 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.957 -5.774 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.348 -6.289 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.512 -7.745 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.530 -6.377 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.736 -7.296 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.678 -5.715 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.661 -7.041 10.407 1.00 0.00 H new ATOM 657 N LEU A 39 -10.720 -0.570 10.085 1.00 0.00 N ATOM 658 CA LEU A 39 -9.785 0.376 10.669 1.00 0.00 C ATOM 659 C LEU A 39 -10.558 1.580 11.213 1.00 0.00 C ATOM 660 O LEU A 39 -10.410 1.942 12.379 1.00 0.00 O ATOM 661 CB LEU A 39 -8.698 0.749 9.660 1.00 0.00 C ATOM 662 CG LEU A 39 -7.255 0.512 10.110 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.720 -0.813 9.562 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.361 1.693 9.728 1.00 0.00 C ATOM 0 H LEU A 39 -10.578 -0.751 9.091 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.263 -0.076 11.512 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.870 0.182 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.810 1.803 9.408 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.244 0.438 11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.693 -0.957 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.338 -1.633 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.747 -0.794 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.341 1.499 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.373 1.823 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.732 2.600 10.206 1.00 0.00 H new ATOM 676 N ALA A 40 -11.366 2.166 10.342 1.00 0.00 N ATOM 677 CA ALA A 40 -12.162 3.321 10.719 1.00 0.00 C ATOM 678 C ALA A 40 -12.887 3.028 12.034 1.00 0.00 C ATOM 679 O ALA A 40 -13.042 3.914 12.873 1.00 0.00 O ATOM 680 CB ALA A 40 -13.129 3.668 9.585 1.00 0.00 C ATOM 0 H ALA A 40 -11.486 1.862 9.376 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.524 4.190 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.726 4.535 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.563 3.897 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.787 2.820 9.396 1.00 0.00 H new ATOM 686 N ALA A 41 -13.312 1.781 12.173 1.00 0.00 N ATOM 687 CA ALA A 41 -14.017 1.359 13.372 1.00 0.00 C ATOM 688 C ALA A 41 -13.016 1.205 14.519 1.00 0.00 C ATOM 689 O ALA A 41 -13.323 1.534 15.663 1.00 0.00 O ATOM 690 CB ALA A 41 -14.781 0.065 13.086 1.00 0.00 C ATOM 0 H ALA A 41 -13.182 1.049 11.475 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.749 2.109 13.672 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.310 -0.252 13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.499 0.236 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.079 -0.713 12.785 1.00 0.00 H new ATOM 696 N MET A 42 -11.840 0.704 14.172 1.00 0.00 N ATOM 697 CA MET A 42 -10.793 0.502 15.158 1.00 0.00 C ATOM 698 C MET A 42 -10.262 1.840 15.677 1.00 0.00 C ATOM 699 O MET A 42 -10.121 2.030 16.884 1.00 0.00 O ATOM 700 CB MET A 42 -9.646 -0.293 14.530 1.00 0.00 C ATOM 701 CG MET A 42 -9.941 -1.794 14.555 1.00 0.00 C ATOM 702 SD MET A 42 -8.569 -2.675 15.281 1.00 0.00 S ATOM 703 CE MET A 42 -7.603 -3.005 13.818 1.00 0.00 C ATOM 0 H MET A 42 -11.589 0.432 13.221 1.00 0.00 H new ATOM 0 HA MET A 42 -11.214 -0.051 15.998 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.493 0.034 13.502 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.721 -0.092 15.070 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.849 -1.985 15.126 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.120 -2.155 13.542 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.929 -3.840 14.008 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.268 -3.257 12.992 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.021 -2.120 13.559 1.00 0.00 H new ATOM 713 N LEU A 43 -9.983 2.733 14.739 1.00 0.00 N ATOM 714 CA LEU A 43 -9.471 4.048 15.086 1.00 0.00 C ATOM 715 C LEU A 43 -10.643 5.011 15.280 1.00 0.00 C ATOM 716 O LEU A 43 -10.442 6.212 15.456 1.00 0.00 O ATOM 717 CB LEU A 43 -8.454 4.519 14.045 1.00 0.00 C ATOM 718 CG LEU A 43 -7.799 3.422 13.203 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.609 3.972 12.415 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.407 2.224 14.071 1.00 0.00 C ATOM 0 H LEU A 43 -10.102 2.572 13.739 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.930 4.009 16.031 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.950 5.219 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.668 5.073 14.558 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.530 3.068 12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.162 3.172 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.949 4.766 11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.867 4.371 13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.944 1.459 13.448 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.701 2.545 14.837 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.297 1.813 14.548 1.00 0.00 H new ATOM 732 N ASN A 44 -11.843 4.449 15.242 1.00 0.00 N ATOM 733 CA ASN A 44 -13.047 5.244 15.411 1.00 0.00 C ATOM 734 C ASN A 44 -12.908 6.547 14.622 1.00 0.00 C ATOM 735 O ASN A 44 -13.345 7.603 15.078 1.00 0.00 O ATOM 736 CB ASN A 44 -13.268 5.603 16.882 1.00 0.00 C ATOM 737 CG ASN A 44 -11.950 5.990 17.555 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.584 7.151 17.639 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.261 4.957 18.030 1.00 0.00 N ATOM 0 H ASN A 44 -12.007 3.453 15.097 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.892 4.656 15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.975 6.429 16.956 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.712 4.756 17.404 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.368 5.112 18.499 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.625 4.010 17.926 1.00 0.00 H new ATOM 746 N ALA A 45 -12.299 6.431 13.451 1.00 0.00 N ATOM 747 CA ALA A 45 -12.097 7.587 12.595 1.00 0.00 C ATOM 748 C ALA A 45 -13.012 7.477 11.373 1.00 0.00 C ATOM 749 O ALA A 45 -13.566 6.413 11.102 1.00 0.00 O ATOM 750 CB ALA A 45 -10.619 7.686 12.209 1.00 0.00 C ATOM 0 H ALA A 45 -11.939 5.554 13.075 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.358 8.505 13.122 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.468 8.554 11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.014 7.792 13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.321 6.783 11.676 1.00 0.00 H new ATOM 756 N PRO A 46 -13.145 8.622 10.650 1.00 0.00 N ATOM 757 CA PRO A 46 -13.983 8.664 9.464 1.00 0.00 C ATOM 758 C PRO A 46 -13.305 7.959 8.288 1.00 0.00 C ATOM 759 O PRO A 46 -12.092 8.064 8.112 1.00 0.00 O ATOM 760 CB PRO A 46 -14.229 10.142 9.209 1.00 0.00 C ATOM 761 CG PRO A 46 -13.147 10.883 9.977 1.00 0.00 C ATOM 762 CD PRO A 46 -12.503 9.900 10.942 1.00 0.00 C ATOM 0 HA PRO A 46 -14.926 8.134 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.177 10.369 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.221 10.437 9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.402 11.289 9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.574 11.726 10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.425 9.845 10.791 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.665 10.198 11.978 1.00 0.00 H new ATOM 770 N LEU A 47 -14.117 7.255 7.513 1.00 0.00 N ATOM 771 CA LEU A 47 -13.611 6.533 6.358 1.00 0.00 C ATOM 772 C LEU A 47 -13.090 7.533 5.324 1.00 0.00 C ATOM 773 O LEU A 47 -11.971 7.398 4.833 1.00 0.00 O ATOM 774 CB LEU A 47 -14.678 5.582 5.811 1.00 0.00 C ATOM 775 CG LEU A 47 -14.178 4.215 5.339 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.479 3.132 6.377 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.753 3.866 3.965 1.00 0.00 C ATOM 0 H LEU A 47 -15.122 7.169 7.662 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.770 5.901 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.428 5.425 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.180 6.072 4.976 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.094 4.266 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.113 2.171 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.983 3.380 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.555 3.073 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.382 2.890 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.841 3.839 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.446 4.620 3.240 1.00 0.00 H new ATOM 789 N GLU A 48 -13.928 8.515 5.024 1.00 0.00 N ATOM 790 CA GLU A 48 -13.566 9.538 4.057 1.00 0.00 C ATOM 791 C GLU A 48 -12.136 10.020 4.305 1.00 0.00 C ATOM 792 O GLU A 48 -11.381 10.246 3.360 1.00 0.00 O ATOM 793 CB GLU A 48 -14.554 10.706 4.099 1.00 0.00 C ATOM 794 CG GLU A 48 -14.619 11.318 5.500 1.00 0.00 C ATOM 795 CD GLU A 48 -15.522 12.553 5.516 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.748 12.363 5.368 1.00 0.00 O ATOM 797 OE2 GLU A 48 -14.964 13.661 5.677 1.00 0.00 O ATOM 0 H GLU A 48 -14.856 8.624 5.433 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.613 9.101 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.254 11.467 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.544 10.360 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.995 10.579 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.616 11.592 5.828 1.00 0.00 H new ATOM 804 N LEU A 49 -11.806 10.164 5.580 1.00 0.00 N ATOM 805 CA LEU A 49 -10.479 10.615 5.963 1.00 0.00 C ATOM 806 C LEU A 49 -9.507 9.434 5.907 1.00 0.00 C ATOM 807 O LEU A 49 -8.321 9.615 5.636 1.00 0.00 O ATOM 808 CB LEU A 49 -10.523 11.311 7.325 1.00 0.00 C ATOM 809 CG LEU A 49 -11.450 12.523 7.430 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.215 13.283 8.736 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.308 13.430 6.206 1.00 0.00 C ATOM 0 H LEU A 49 -12.435 9.976 6.361 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.113 11.363 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.827 10.580 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.512 11.629 7.581 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.479 12.164 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.887 14.140 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.408 12.622 9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.182 13.630 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.978 14.284 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.279 13.783 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.565 12.870 5.307 1.00 0.00 H new ATOM 823 N LEU A 50 -10.047 8.252 6.167 1.00 0.00 N ATOM 824 CA LEU A 50 -9.242 7.042 6.149 1.00 0.00 C ATOM 825 C LEU A 50 -9.106 6.547 4.708 1.00 0.00 C ATOM 826 O LEU A 50 -10.089 6.137 4.093 1.00 0.00 O ATOM 827 CB LEU A 50 -9.822 5.999 7.105 1.00 0.00 C ATOM 828 CG LEU A 50 -8.808 5.086 7.798 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.366 5.675 9.138 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.361 3.668 7.949 1.00 0.00 C ATOM 0 H LEU A 50 -11.031 8.106 6.391 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.235 7.249 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.397 6.518 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.522 5.375 6.549 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.921 5.020 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.646 5.006 9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.904 6.648 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.233 5.791 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.621 3.040 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.272 3.695 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.584 3.258 6.964 1.00 0.00 H new ATOM 842 N VAL A 51 -7.879 6.601 4.211 1.00 0.00 N ATOM 843 CA VAL A 51 -7.601 6.163 2.853 1.00 0.00 C ATOM 844 C VAL A 51 -6.601 5.005 2.890 1.00 0.00 C ATOM 845 O VAL A 51 -5.965 4.762 3.914 1.00 0.00 O ATOM 846 CB VAL A 51 -7.117 7.344 2.011 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.117 6.992 0.522 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.961 8.592 2.279 1.00 0.00 C ATOM 0 H VAL A 51 -7.066 6.941 4.724 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.509 5.793 2.377 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.091 7.565 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.769 7.849 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.454 6.144 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.128 6.732 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.595 9.417 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.002 8.388 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.888 8.861 3.333 1.00 0.00 H new ATOM 858 N ILE A 52 -6.494 4.322 1.760 1.00 0.00 N ATOM 859 CA ILE A 52 -5.582 3.196 1.650 1.00 0.00 C ATOM 860 C ILE A 52 -4.566 3.474 0.540 1.00 0.00 C ATOM 861 O ILE A 52 -4.939 3.882 -0.559 1.00 0.00 O ATOM 862 CB ILE A 52 -6.360 1.893 1.459 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.515 1.793 2.458 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.429 0.681 1.536 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.046 1.180 3.779 1.00 0.00 C ATOM 0 H ILE A 52 -7.024 4.526 0.913 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.018 3.071 2.575 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.797 1.900 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.930 2.784 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.315 1.185 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.008 -0.232 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.672 0.753 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.943 0.657 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.886 1.120 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.654 0.179 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.263 1.803 4.212 1.00 0.00 H new ATOM 877 N GLN A 53 -3.303 3.242 0.866 1.00 0.00 N ATOM 878 CA GLN A 53 -2.231 3.463 -0.090 1.00 0.00 C ATOM 879 C GLN A 53 -2.217 2.348 -1.137 1.00 0.00 C ATOM 880 O GLN A 53 -2.236 2.618 -2.337 1.00 0.00 O ATOM 881 CB GLN A 53 -0.879 3.568 0.618 1.00 0.00 C ATOM 882 CG GLN A 53 0.262 3.684 -0.395 1.00 0.00 C ATOM 883 CD GLN A 53 1.531 4.222 0.268 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.803 5.412 0.274 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.291 3.283 0.826 1.00 0.00 N ATOM 0 H GLN A 53 -2.998 2.903 1.778 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.412 4.410 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.876 4.437 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.724 2.691 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.463 2.707 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.035 4.345 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.005 2.305 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.159 3.542 1.295 1.00 0.00 H new ATOM 894 N ARG A 54 -2.183 1.118 -0.646 1.00 0.00 N ATOM 895 CA ARG A 54 -2.166 -0.039 -1.525 1.00 0.00 C ATOM 896 C ARG A 54 -2.022 -1.324 -0.707 1.00 0.00 C ATOM 897 O ARG A 54 -1.092 -1.459 0.086 1.00 0.00 O ATOM 898 CB ARG A 54 -1.015 0.049 -2.529 1.00 0.00 C ATOM 899 CG ARG A 54 -1.456 -0.435 -3.912 1.00 0.00 C ATOM 900 CD ARG A 54 -1.225 0.644 -4.971 1.00 0.00 C ATOM 901 NE ARG A 54 -0.055 0.292 -5.806 1.00 0.00 N ATOM 902 CZ ARG A 54 0.232 0.871 -6.980 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.564 1.834 -7.464 1.00 0.00 N ATOM 904 NH2 ARG A 54 1.315 0.487 -7.669 1.00 0.00 N ATOM 0 H ARG A 54 -2.167 0.897 0.350 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.109 -0.055 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.663 1.079 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.176 -0.553 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.903 -1.336 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.512 -0.705 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.111 0.746 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.062 1.608 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 54 0.572 -0.437 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.388 2.126 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.346 2.275 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.921 -0.246 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.534 0.928 -8.563 1.00 0.00 H new ATOM 918 N ILE A 55 -2.958 -2.236 -0.928 1.00 0.00 N ATOM 919 CA ILE A 55 -2.947 -3.506 -0.222 1.00 0.00 C ATOM 920 C ILE A 55 -2.161 -4.533 -1.040 1.00 0.00 C ATOM 921 O ILE A 55 -2.236 -4.542 -2.268 1.00 0.00 O ATOM 922 CB ILE A 55 -4.374 -3.946 0.110 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.881 -3.255 1.377 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.468 -5.470 0.212 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.398 -3.395 1.509 1.00 0.00 C ATOM 0 H ILE A 55 -3.729 -2.120 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.438 -3.405 0.736 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.025 -3.637 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.395 -3.689 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.611 -2.199 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.493 -5.756 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.177 -5.917 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.801 -5.824 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.732 -2.895 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.882 -2.939 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.663 -4.451 1.558 1.00 0.00 H new ATOM 937 N LYS A 56 -1.426 -5.373 -0.326 1.00 0.00 N ATOM 938 CA LYS A 56 -0.627 -6.402 -0.971 1.00 0.00 C ATOM 939 C LYS A 56 -0.996 -7.767 -0.387 1.00 0.00 C ATOM 940 O LYS A 56 -0.751 -8.030 0.789 1.00 0.00 O ATOM 941 CB LYS A 56 0.862 -6.069 -0.864 1.00 0.00 C ATOM 942 CG LYS A 56 1.617 -6.526 -2.114 1.00 0.00 C ATOM 943 CD LYS A 56 2.819 -5.620 -2.391 1.00 0.00 C ATOM 944 CE LYS A 56 4.085 -6.446 -2.627 1.00 0.00 C ATOM 945 NZ LYS A 56 5.058 -6.227 -1.533 1.00 0.00 N ATOM 0 H LYS A 56 -1.367 -5.362 0.692 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.845 -6.442 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.989 -4.995 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.284 -6.552 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.955 -7.554 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.945 -6.517 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.617 -4.999 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.972 -4.945 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.830 -7.504 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.534 -6.170 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.911 -6.795 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.314 -5.220 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.633 -6.512 -0.628 1.00 0.00 H new ATOM 959 N THR A 57 -1.578 -8.601 -1.237 1.00 0.00 N ATOM 960 CA THR A 57 -1.982 -9.933 -0.820 1.00 0.00 C ATOM 961 C THR A 57 -0.846 -10.931 -1.050 1.00 0.00 C ATOM 962 O THR A 57 -0.169 -10.881 -2.076 1.00 0.00 O ATOM 963 CB THR A 57 -3.268 -10.292 -1.568 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.122 -9.173 -1.347 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.012 -11.463 -0.923 1.00 0.00 C ATOM 0 H THR A 57 -1.779 -8.380 -2.212 1.00 0.00 H new ATOM 0 HA THR A 57 -2.190 -9.967 0.249 1.00 0.00 H new ATOM 0 HB THR A 57 -3.030 -10.539 -2.603 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.392 -9.149 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.917 -11.677 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.370 -12.344 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.281 -11.204 0.101 1.00 0.00 H new ATOM 973 N GLU A 58 -0.672 -11.815 -0.079 1.00 0.00 N ATOM 974 CA GLU A 58 0.371 -12.824 -0.163 1.00 0.00 C ATOM 975 C GLU A 58 -0.248 -14.217 -0.293 1.00 0.00 C ATOM 976 O GLU A 58 -1.454 -14.383 -0.116 1.00 0.00 O ATOM 977 CB GLU A 58 1.304 -12.749 1.047 1.00 0.00 C ATOM 978 CG GLU A 58 2.236 -11.540 0.947 1.00 0.00 C ATOM 979 CD GLU A 58 3.698 -11.958 1.117 1.00 0.00 C ATOM 980 OE1 GLU A 58 4.174 -12.721 0.248 1.00 0.00 O ATOM 981 OE2 GLU A 58 4.306 -11.507 2.111 1.00 0.00 O ATOM 0 H GLU A 58 -1.236 -11.854 0.770 1.00 0.00 H new ATOM 0 HA GLU A 58 0.968 -12.629 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.715 -12.684 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.894 -13.663 1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.103 -11.053 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.972 -10.809 1.711 1.00 0.00 H new ATOM 988 N TYR A 59 0.606 -15.182 -0.601 1.00 0.00 N ATOM 989 CA TYR A 59 0.158 -16.556 -0.757 1.00 0.00 C ATOM 990 C TYR A 59 0.969 -17.501 0.132 1.00 0.00 C ATOM 991 O TYR A 59 2.147 -17.743 -0.125 1.00 0.00 O ATOM 992 CB TYR A 59 0.405 -16.916 -2.223 1.00 0.00 C ATOM 993 CG TYR A 59 -0.759 -17.654 -2.887 1.00 0.00 C ATOM 994 CD1 TYR A 59 -0.963 -18.994 -2.630 1.00 0.00 C ATOM 995 CD2 TYR A 59 -1.605 -16.979 -3.744 1.00 0.00 C ATOM 996 CE1 TYR A 59 -2.059 -19.689 -3.255 1.00 0.00 C ATOM 997 CE2 TYR A 59 -2.701 -17.674 -4.369 1.00 0.00 C ATOM 998 CZ TYR A 59 -2.873 -18.994 -4.094 1.00 0.00 C ATOM 999 OH TYR A 59 -3.908 -19.650 -4.684 1.00 0.00 O ATOM 0 H TYR A 59 1.605 -15.040 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.890 -16.653 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.608 -16.002 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.299 -17.536 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.301 -19.522 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.445 -15.930 -3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.230 -20.738 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.371 -17.158 -5.041 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.405 -19.029 -5.256 1.00 0.00 H new ATOM 1009 N GLY A 60 0.306 -18.010 1.160 1.00 0.00 N ATOM 1010 CA GLY A 60 0.950 -18.924 2.088 1.00 0.00 C ATOM 1011 C GLY A 60 0.265 -18.890 3.455 1.00 0.00 C ATOM 1012 O GLY A 60 0.176 -19.911 4.135 1.00 0.00 O ATOM 0 H GLY A 60 -0.671 -17.807 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.919 -19.937 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.001 -18.656 2.197 1.00 0.00 H new ATOM 1016 N MET A 61 -0.202 -17.704 3.819 1.00 0.00 N ATOM 1017 CA MET A 61 -0.877 -17.523 5.093 1.00 0.00 C ATOM 1018 C MET A 61 -2.093 -16.607 4.944 1.00 0.00 C ATOM 1019 O MET A 61 -2.526 -15.983 5.912 1.00 0.00 O ATOM 1020 CB MET A 61 0.098 -16.919 6.105 1.00 0.00 C ATOM 1021 CG MET A 61 0.630 -15.570 5.616 1.00 0.00 C ATOM 1022 SD MET A 61 2.105 -15.132 6.520 1.00 0.00 S ATOM 1023 CE MET A 61 2.838 -13.975 5.374 1.00 0.00 C ATOM 0 H MET A 61 -0.126 -16.859 3.253 1.00 0.00 H new ATOM 0 HA MET A 61 -1.221 -18.496 5.443 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.402 -16.790 7.065 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.930 -17.605 6.268 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.849 -15.621 4.549 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.130 -14.800 5.749 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.738 -13.547 5.815 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.097 -14.492 4.450 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.127 -13.178 5.156 1.00 0.00 H new ATOM 1033 N GLN A 62 -2.610 -16.556 3.725 1.00 0.00 N ATOM 1034 CA GLN A 62 -3.767 -15.726 3.438 1.00 0.00 C ATOM 1035 C GLN A 62 -3.701 -14.425 4.241 1.00 0.00 C ATOM 1036 O GLN A 62 -4.616 -14.114 5.001 1.00 0.00 O ATOM 1037 CB GLN A 62 -5.067 -16.481 3.723 1.00 0.00 C ATOM 1038 CG GLN A 62 -5.334 -17.539 2.651 1.00 0.00 C ATOM 1039 CD GLN A 62 -4.833 -18.913 3.100 1.00 0.00 C ATOM 1040 OE1 GLN A 62 -4.132 -19.611 2.386 1.00 0.00 O ATOM 1041 NE2 GLN A 62 -5.231 -19.261 4.320 1.00 0.00 N ATOM 0 H GLN A 62 -2.249 -17.076 2.925 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.755 -15.475 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.008 -16.957 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.899 -15.778 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.403 -17.588 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.840 -17.254 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.818 -18.629 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.950 -20.160 4.711 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.609 -13.701 4.045 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.411 -12.441 4.741 1.00 0.00 C ATOM 1052 C GLU A 63 -2.282 -11.294 3.737 1.00 0.00 C ATOM 1053 O GLU A 63 -1.635 -11.441 2.701 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.188 -12.508 5.658 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.882 -11.137 6.264 1.00 0.00 C ATOM 1056 CD GLU A 63 0.203 -10.413 5.465 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.384 -10.772 5.658 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.174 -9.518 4.678 1.00 0.00 O ATOM 0 H GLU A 63 -1.852 -13.963 3.414 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.283 -12.253 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.365 -13.230 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.325 -12.861 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.789 -10.533 6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.558 -11.257 7.298 1.00 0.00 H new ATOM 1065 N SER A 64 -2.908 -10.178 4.078 1.00 0.00 N ATOM 1066 CA SER A 64 -2.871 -9.006 3.219 1.00 0.00 C ATOM 1067 C SER A 64 -2.511 -7.767 4.041 1.00 0.00 C ATOM 1068 O SER A 64 -3.102 -7.520 5.091 1.00 0.00 O ATOM 1069 CB SER A 64 -4.211 -8.802 2.509 1.00 0.00 C ATOM 1070 OG SER A 64 -4.610 -9.958 1.778 1.00 0.00 O ATOM 0 H SER A 64 -3.444 -10.060 4.938 1.00 0.00 H new ATOM 0 HA SER A 64 -2.107 -9.163 2.457 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.977 -8.556 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.136 -7.952 1.831 1.00 0.00 H new ATOM 0 HG SER A 64 -5.486 -9.799 1.368 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.543 -7.019 3.531 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.097 -5.811 4.204 1.00 0.00 C ATOM 1078 C LYS A 65 -1.371 -4.602 3.307 1.00 0.00 C ATOM 1079 O LYS A 65 -1.395 -4.725 2.083 1.00 0.00 O ATOM 1080 CB LYS A 65 0.367 -5.943 4.627 1.00 0.00 C ATOM 1081 CG LYS A 65 1.289 -5.214 3.647 1.00 0.00 C ATOM 1082 CD LYS A 65 2.741 -5.254 4.128 1.00 0.00 C ATOM 1083 CE LYS A 65 3.262 -3.845 4.418 1.00 0.00 C ATOM 1084 NZ LYS A 65 4.179 -3.401 3.344 1.00 0.00 N ATOM 0 H LYS A 65 -1.055 -7.226 2.660 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.659 -5.659 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.498 -5.533 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.642 -6.997 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.216 -5.675 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.966 -4.179 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.813 -5.864 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.366 -5.728 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.425 -3.151 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.781 -3.833 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.524 -2.443 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.986 -4.054 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.672 -3.394 2.436 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.571 -3.462 3.951 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.843 -2.231 3.227 1.00 0.00 C ATOM 1100 C GLY A 66 -1.814 -1.024 4.167 1.00 0.00 C ATOM 1101 O GLY A 66 -2.483 -1.021 5.199 1.00 0.00 O ATOM 0 H GLY A 66 -1.550 -3.364 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.104 -2.099 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.818 -2.297 2.744 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.033 -0.028 3.775 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.909 1.182 4.570 1.00 0.00 C ATOM 1107 C TYR A 67 -2.091 2.123 4.325 1.00 0.00 C ATOM 1108 O TYR A 67 -2.482 2.349 3.181 1.00 0.00 O ATOM 1109 CB TYR A 67 0.377 1.865 4.100 1.00 0.00 C ATOM 1110 CG TYR A 67 1.640 1.364 4.804 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.865 0.009 4.936 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.554 2.268 5.306 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.054 -0.462 5.598 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.743 1.796 5.968 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.934 0.455 6.081 1.00 0.00 C ATOM 1116 OH TYR A 67 5.057 0.010 6.707 1.00 0.00 O ATOM 0 H TYR A 67 -0.480 -0.034 2.918 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.891 0.943 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.486 1.711 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.286 2.939 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.150 -0.698 4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.378 3.329 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.242 -1.520 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.467 2.492 6.366 1.00 0.00 H new ATOM 0 HH TYR A 67 5.100 0.388 7.610 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.627 2.645 5.418 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.756 3.556 5.337 1.00 0.00 C ATOM 1128 C ALA A 68 -3.307 4.957 5.756 1.00 0.00 C ATOM 1129 O ALA A 68 -2.347 5.105 6.511 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.902 3.027 6.201 1.00 0.00 C ATOM 0 H ALA A 68 -2.300 2.454 6.365 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.124 3.621 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.749 3.710 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.204 2.043 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.571 2.950 7.237 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.023 5.950 5.250 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.710 7.334 5.563 1.00 0.00 C ATOM 1138 C LYS A 69 -4.902 7.972 6.279 1.00 0.00 C ATOM 1139 O LYS A 69 -5.963 8.155 5.683 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.277 8.083 4.302 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.944 7.547 3.776 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.744 7.921 2.306 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.101 6.750 1.388 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.111 7.164 0.388 1.00 0.00 N ATOM 0 H LYS A 69 -4.819 5.824 4.625 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.862 7.388 6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.043 7.981 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.184 9.147 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.125 7.950 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.915 6.463 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.364 8.783 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.708 8.215 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.205 6.391 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.486 5.920 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.342 6.357 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.972 7.485 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.730 7.941 -0.189 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.688 8.294 7.546 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.731 8.908 8.349 1.00 0.00 C ATOM 1160 C LEU A 70 -5.490 10.417 8.424 1.00 0.00 C ATOM 1161 O LEU A 70 -4.423 10.858 8.848 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.822 8.231 9.718 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.631 8.976 10.782 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.040 9.292 10.278 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.654 8.196 12.098 1.00 0.00 C ATOM 0 H LEU A 70 -3.807 8.141 8.036 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.705 8.763 7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.260 7.242 9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.810 8.083 10.096 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.140 9.928 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.594 9.821 11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.976 9.917 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.556 8.363 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.235 8.747 12.837 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.108 7.219 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.635 8.066 12.462 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.498 11.167 8.006 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.409 12.617 8.021 1.00 0.00 C ATOM 1179 C TYR A 71 -7.235 13.206 9.166 1.00 0.00 C ATOM 1180 O TYR A 71 -8.221 12.610 9.595 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.996 13.090 6.689 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.208 12.627 5.462 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -4.839 12.795 5.418 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -6.866 12.041 4.400 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.097 12.360 4.263 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -6.124 11.605 3.246 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.776 11.786 3.234 1.00 0.00 C ATOM 1188 OH TYR A 71 -4.075 11.374 2.143 1.00 0.00 O ATOM 0 H TYR A 71 -7.381 10.798 7.654 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.376 12.936 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.021 12.729 6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.041 14.179 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.324 13.253 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.937 11.909 4.435 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.026 12.487 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.627 11.144 2.408 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.690 10.982 1.488 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.801 14.369 9.629 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.488 15.046 10.716 1.00 0.00 C ATOM 1200 C GLU A 72 -8.726 15.774 10.190 1.00 0.00 C ATOM 1201 O GLU A 72 -9.717 15.918 10.905 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.549 16.012 11.441 1.00 0.00 C ATOM 1203 CG GLU A 72 -5.562 15.255 12.331 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.494 15.876 13.727 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -5.041 17.038 13.810 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.898 15.176 14.681 1.00 0.00 O ATOM 0 H GLU A 72 -5.982 14.860 9.271 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.812 14.296 11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.002 16.609 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.132 16.705 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.864 14.210 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.572 15.268 11.875 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.630 16.215 8.944 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.730 16.925 8.314 1.00 0.00 C ATOM 1215 C ASP A 73 -9.803 16.535 6.837 1.00 0.00 C ATOM 1216 O ASP A 73 -8.821 16.062 6.266 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.525 18.439 8.394 1.00 0.00 C ATOM 1218 CG ASP A 73 -9.890 19.071 9.739 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -9.793 18.345 10.752 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.257 20.265 9.724 1.00 0.00 O ATOM 0 H ASP A 73 -7.807 16.094 8.354 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.648 16.657 8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.480 18.661 8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.120 18.913 7.613 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.976 16.748 6.259 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.190 16.425 4.859 1.00 0.00 C ATOM 1227 C ALA A 74 -10.591 17.530 3.987 1.00 0.00 C ATOM 1228 O ALA A 74 -9.976 17.251 2.959 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.686 16.227 4.603 1.00 0.00 C ATOM 0 H ALA A 74 -11.788 17.140 6.735 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.688 15.493 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.846 15.985 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.057 15.412 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.222 17.144 4.850 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.792 18.763 4.430 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.279 19.912 3.703 1.00 0.00 C ATOM 1237 C ASP A 75 -8.785 19.717 3.439 1.00 0.00 C ATOM 1238 O ASP A 75 -8.328 19.855 2.305 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.453 21.198 4.513 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.057 22.372 3.740 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -12.300 22.380 3.601 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.264 23.235 3.306 1.00 0.00 O ATOM 0 H ASP A 75 -11.303 18.991 5.283 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.835 19.996 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.087 20.985 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.480 21.500 4.901 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.065 19.400 4.504 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.631 19.186 4.402 1.00 0.00 C ATOM 1249 C ARG A 76 -6.328 18.127 3.340 1.00 0.00 C ATOM 1250 O ARG A 76 -5.534 18.364 2.431 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.044 18.737 5.742 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.291 19.882 6.421 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.096 21.182 6.357 1.00 0.00 C ATOM 1254 NE ARG A 76 -5.860 21.985 7.578 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.150 21.569 8.818 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -6.689 20.358 9.010 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -5.900 22.365 9.867 1.00 0.00 N ATOM 0 H ARG A 76 -8.447 19.286 5.443 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.173 20.133 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.844 18.386 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.369 17.896 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.092 19.624 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.325 20.024 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.809 21.754 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.158 20.957 6.259 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.451 22.913 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.879 19.752 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.910 20.042 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.489 23.287 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.121 22.049 10.811 1.00 0.00 H new ATOM 1271 N MET A 77 -6.976 16.981 3.490 1.00 0.00 N ATOM 1272 CA MET A 77 -6.785 15.885 2.555 1.00 0.00 C ATOM 1273 C MET A 77 -6.913 16.369 1.110 1.00 0.00 C ATOM 1274 O MET A 77 -6.024 16.135 0.292 1.00 0.00 O ATOM 1275 CB MET A 77 -7.828 14.798 2.824 1.00 0.00 C ATOM 1276 CG MET A 77 -7.945 13.845 1.632 1.00 0.00 C ATOM 1277 SD MET A 77 -9.483 14.129 0.772 1.00 0.00 S ATOM 1278 CE MET A 77 -10.541 12.985 1.642 1.00 0.00 C ATOM 0 H MET A 77 -7.634 16.788 4.245 1.00 0.00 H new ATOM 0 HA MET A 77 -5.782 15.482 2.696 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.552 14.237 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.796 15.258 3.023 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.106 13.995 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.896 12.812 1.976 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.548 13.034 1.228 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.152 11.973 1.531 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.570 13.248 2.699 1.00 0.00 H new ATOM 1288 N LYS A 78 -8.025 17.035 0.838 1.00 0.00 N ATOM 1289 CA LYS A 78 -8.280 17.555 -0.495 1.00 0.00 C ATOM 1290 C LYS A 78 -7.098 18.420 -0.935 1.00 0.00 C ATOM 1291 O LYS A 78 -6.565 18.238 -2.029 1.00 0.00 O ATOM 1292 CB LYS A 78 -9.625 18.283 -0.538 1.00 0.00 C ATOM 1293 CG LYS A 78 -10.758 17.371 -0.061 1.00 0.00 C ATOM 1294 CD LYS A 78 -12.048 17.648 -0.836 1.00 0.00 C ATOM 1295 CE LYS A 78 -13.198 17.982 0.115 1.00 0.00 C ATOM 1296 NZ LYS A 78 -14.400 18.388 -0.647 1.00 0.00 N ATOM 0 H LYS A 78 -8.760 17.227 1.518 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.363 16.739 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.581 19.173 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.828 18.620 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.469 16.328 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.929 17.525 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.891 18.476 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.310 16.777 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.429 17.115 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.899 18.785 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.171 18.611 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.181 19.228 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.694 17.610 -1.272 1.00 0.00 H new ATOM 1310 N GLN A 79 -6.723 19.342 -0.061 1.00 0.00 N ATOM 1311 CA GLN A 79 -5.614 20.236 -0.346 1.00 0.00 C ATOM 1312 C GLN A 79 -4.310 19.444 -0.467 1.00 0.00 C ATOM 1313 O GLN A 79 -3.438 19.794 -1.259 1.00 0.00 O ATOM 1314 CB GLN A 79 -5.497 21.324 0.724 1.00 0.00 C ATOM 1315 CG GLN A 79 -6.088 22.645 0.229 1.00 0.00 C ATOM 1316 CD GLN A 79 -5.727 23.795 1.173 1.00 0.00 C ATOM 1317 OE1 GLN A 79 -5.026 24.728 0.816 1.00 0.00 O ATOM 1318 NE2 GLN A 79 -6.243 23.676 2.393 1.00 0.00 N ATOM 0 H GLN A 79 -7.168 19.489 0.845 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.807 20.729 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.015 21.006 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.450 21.467 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.716 22.861 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.172 22.557 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.822 22.869 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.060 24.392 3.096 1.00 0.00 H new ATOM 1327 N VAL A 80 -4.220 18.390 0.331 1.00 0.00 N ATOM 1328 CA VAL A 80 -3.038 17.545 0.324 1.00 0.00 C ATOM 1329 C VAL A 80 -2.937 16.829 -1.025 1.00 0.00 C ATOM 1330 O VAL A 80 -1.860 16.761 -1.615 1.00 0.00 O ATOM 1331 CB VAL A 80 -3.078 16.580 1.511 1.00 0.00 C ATOM 1332 CG1 VAL A 80 -1.835 15.688 1.534 1.00 0.00 C ATOM 1333 CG2 VAL A 80 -3.232 17.339 2.830 1.00 0.00 C ATOM 0 H VAL A 80 -4.946 18.102 0.987 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.137 18.147 0.441 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.950 15.937 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.888 15.012 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.787 15.107 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.943 16.309 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.258 16.630 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.389 18.018 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.159 17.912 2.814 1.00 0.00 H new ATOM 1343 N GLU A 81 -4.072 16.314 -1.473 1.00 0.00 N ATOM 1344 CA GLU A 81 -4.125 15.607 -2.741 1.00 0.00 C ATOM 1345 C GLU A 81 -4.066 16.599 -3.904 1.00 0.00 C ATOM 1346 O GLU A 81 -3.971 16.196 -5.063 1.00 0.00 O ATOM 1347 CB GLU A 81 -5.376 14.731 -2.829 1.00 0.00 C ATOM 1348 CG GLU A 81 -5.010 13.285 -3.169 1.00 0.00 C ATOM 1349 CD GLU A 81 -5.205 13.007 -4.661 1.00 0.00 C ATOM 1350 OE1 GLU A 81 -6.343 13.217 -5.133 1.00 0.00 O ATOM 1351 OE2 GLU A 81 -4.212 12.589 -5.295 1.00 0.00 O ATOM 0 H GLU A 81 -4.963 16.372 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.258 14.950 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.913 14.761 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.049 15.128 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.973 13.094 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.627 12.603 -2.584 1.00 0.00 H new ATOM 1358 N GLN A 82 -4.125 17.875 -3.556 1.00 0.00 N ATOM 1359 CA GLN A 82 -4.080 18.927 -4.557 1.00 0.00 C ATOM 1360 C GLN A 82 -2.633 19.203 -4.972 1.00 0.00 C ATOM 1361 O GLN A 82 -2.380 20.050 -5.827 1.00 0.00 O ATOM 1362 CB GLN A 82 -4.756 20.201 -4.045 1.00 0.00 C ATOM 1363 CG GLN A 82 -5.537 20.895 -5.163 1.00 0.00 C ATOM 1364 CD GLN A 82 -5.459 22.416 -5.023 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -4.469 22.976 -4.581 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -6.557 23.053 -5.423 1.00 0.00 N ATOM 0 H GLN A 82 -4.204 18.205 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.632 18.590 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.430 19.955 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.003 20.881 -3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.137 20.594 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.579 20.577 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.351 22.524 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.604 24.070 -5.369 1.00 0.00 H new ATOM 1375 N GLU A 83 -1.722 18.472 -4.347 1.00 0.00 N ATOM 1376 CA GLU A 83 -0.308 18.627 -4.641 1.00 0.00 C ATOM 1377 C GLU A 83 0.078 17.781 -5.856 1.00 0.00 C ATOM 1378 O GLU A 83 0.927 18.180 -6.651 1.00 0.00 O ATOM 1379 CB GLU A 83 0.548 18.265 -3.426 1.00 0.00 C ATOM 1380 CG GLU A 83 0.651 16.747 -3.261 1.00 0.00 C ATOM 1381 CD GLU A 83 1.250 16.382 -1.901 1.00 0.00 C ATOM 1382 OE1 GLU A 83 0.676 16.837 -0.888 1.00 0.00 O ATOM 1383 OE2 GLU A 83 2.268 15.657 -1.905 1.00 0.00 O ATOM 0 H GLU A 83 -1.936 17.771 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.119 19.674 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.545 18.691 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.114 18.704 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.338 16.299 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.269 16.332 -4.057 1.00 0.00 H new ATOM 1390 N TYR A 84 -0.564 16.627 -5.960 1.00 0.00 N ATOM 1391 CA TYR A 84 -0.299 15.720 -7.065 1.00 0.00 C ATOM 1392 C TYR A 84 -1.443 15.743 -8.080 1.00 0.00 C ATOM 1393 O TYR A 84 -1.660 14.768 -8.798 1.00 0.00 O ATOM 1394 CB TYR A 84 -0.206 14.322 -6.450 1.00 0.00 C ATOM 1395 CG TYR A 84 1.086 13.577 -6.791 1.00 0.00 C ATOM 1396 CD1 TYR A 84 2.290 14.011 -6.276 1.00 0.00 C ATOM 1397 CD2 TYR A 84 1.047 12.470 -7.615 1.00 0.00 C ATOM 1398 CE1 TYR A 84 3.506 13.309 -6.597 1.00 0.00 C ATOM 1399 CE2 TYR A 84 2.262 11.768 -7.936 1.00 0.00 C ATOM 1400 CZ TYR A 84 3.432 12.223 -7.411 1.00 0.00 C ATOM 1401 OH TYR A 84 4.580 11.560 -7.715 1.00 0.00 O ATOM 0 H TYR A 84 -1.267 16.299 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 84 0.613 16.008 -7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.289 14.407 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.055 13.730 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.321 14.877 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.105 12.131 -8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.455 13.638 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.245 10.900 -8.579 1.00 0.00 H new ATOM 0 HH TYR A 84 4.375 10.804 -8.305 1.00 0.00 H new ATOM 1411 N VAL A 85 -2.145 16.866 -8.107 1.00 0.00 N ATOM 1412 CA VAL A 85 -3.262 17.029 -9.022 1.00 0.00 C ATOM 1413 C VAL A 85 -2.737 17.481 -10.386 1.00 0.00 C ATOM 1414 O VAL A 85 -1.627 17.122 -10.778 1.00 0.00 O ATOM 1415 CB VAL A 85 -4.290 17.993 -8.427 1.00 0.00 C ATOM 1416 CG1 VAL A 85 -3.883 19.448 -8.672 1.00 0.00 C ATOM 1417 CG2 VAL A 85 -5.688 17.715 -8.982 1.00 0.00 C ATOM 0 H VAL A 85 -1.962 17.672 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.776 16.079 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.318 17.829 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.631 20.113 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.916 19.638 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.813 19.630 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.400 18.414 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.680 17.837 -10.065 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.982 16.695 -8.734 1.00 0.00 H new ATOM 1427 N LEU A 86 -3.558 18.263 -11.071 1.00 0.00 N ATOM 1428 CA LEU A 86 -3.190 18.768 -12.383 1.00 0.00 C ATOM 1429 C LEU A 86 -1.710 19.155 -12.379 1.00 0.00 C ATOM 1430 O LEU A 86 -1.305 20.067 -11.659 1.00 0.00 O ATOM 1431 CB LEU A 86 -4.122 19.908 -12.799 1.00 0.00 C ATOM 1432 CG LEU A 86 -5.144 19.575 -13.888 1.00 0.00 C ATOM 1433 CD1 LEU A 86 -5.926 20.822 -14.306 1.00 0.00 C ATOM 1434 CD2 LEU A 86 -4.471 18.895 -15.082 1.00 0.00 C ATOM 0 H LEU A 86 -4.477 18.559 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.315 17.992 -13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.661 20.251 -11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.511 20.742 -13.144 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.863 18.867 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.645 20.558 -15.081 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.455 21.226 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.236 21.572 -14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.220 18.669 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.717 19.561 -15.502 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.996 17.970 -14.754 1.00 0.00 H new ATOM 1446 N LYS A 87 -0.942 18.442 -13.190 1.00 0.00 N ATOM 1447 CA LYS A 87 0.485 18.700 -13.288 1.00 0.00 C ATOM 1448 C LYS A 87 0.909 18.637 -14.757 1.00 0.00 C ATOM 1449 O LYS A 87 0.309 17.914 -15.550 1.00 0.00 O ATOM 1450 CB LYS A 87 1.265 17.746 -12.381 1.00 0.00 C ATOM 1451 CG LYS A 87 1.044 16.290 -12.797 1.00 0.00 C ATOM 1452 CD LYS A 87 1.226 15.347 -11.607 1.00 0.00 C ATOM 1453 CE LYS A 87 1.330 13.892 -12.071 1.00 0.00 C ATOM 1454 NZ LYS A 87 2.715 13.579 -12.487 1.00 0.00 N ATOM 0 H LYS A 87 -1.281 17.686 -13.785 1.00 0.00 H new ATOM 0 HA LYS A 87 0.717 19.703 -12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.328 17.983 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.951 17.884 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.041 16.174 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.745 16.023 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.125 15.622 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.386 15.455 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.026 13.224 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.646 13.719 -12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.768 12.588 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.992 14.204 -13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.360 13.724 -11.684 1.00 0.00 H new ATOM 1468 N ARG A 88 1.942 19.405 -15.074 1.00 0.00 N ATOM 1469 CA ARG A 88 2.454 19.446 -16.433 1.00 0.00 C ATOM 1470 C ARG A 88 3.969 19.659 -16.424 1.00 0.00 C ATOM 1471 O ARG A 88 4.596 19.635 -15.366 1.00 0.00 O ATOM 1472 CB ARG A 88 1.793 20.567 -17.237 1.00 0.00 C ATOM 1473 CG ARG A 88 1.113 20.015 -18.492 1.00 0.00 C ATOM 1474 CD ARG A 88 0.844 21.129 -19.505 1.00 0.00 C ATOM 1475 NE ARG A 88 1.379 20.748 -20.831 1.00 0.00 N ATOM 1476 CZ ARG A 88 1.321 21.530 -21.918 1.00 0.00 C ATOM 1477 NH1 ARG A 88 0.752 22.740 -21.843 1.00 0.00 N ATOM 1478 NH2 ARG A 88 1.833 21.101 -23.080 1.00 0.00 N ATOM 0 H ARG A 88 2.438 20.003 -14.413 1.00 0.00 H new ATOM 0 HA ARG A 88 2.221 18.491 -16.904 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.058 21.080 -16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.542 21.306 -17.520 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.744 19.251 -18.946 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.175 19.532 -18.219 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.227 21.316 -19.576 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.308 22.057 -19.169 1.00 0.00 H new ATOM 0 HE ARG A 88 1.820 19.833 -20.924 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.363 23.067 -20.959 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.708 23.335 -22.670 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.267 20.180 -23.137 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.789 21.696 -23.907 1.00 0.00 H new ATOM 1492 N ASN A 89 4.513 19.863 -17.614 1.00 0.00 N ATOM 1493 CA ASN A 89 5.943 20.080 -17.756 1.00 0.00 C ATOM 1494 C ASN A 89 6.198 21.009 -18.945 1.00 0.00 C ATOM 1495 O ASN A 89 7.028 20.711 -19.803 1.00 0.00 O ATOM 1496 CB ASN A 89 6.677 18.764 -18.018 1.00 0.00 C ATOM 1497 CG ASN A 89 6.181 17.662 -17.079 1.00 0.00 C ATOM 1498 OD1 ASN A 89 5.563 16.693 -17.489 1.00 0.00 O ATOM 1499 ND2 ASN A 89 6.484 17.865 -15.800 1.00 0.00 N ATOM 0 H ASN A 89 3.990 19.883 -18.489 1.00 0.00 H new ATOM 0 HA ASN A 89 6.311 20.519 -16.829 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.526 18.459 -19.054 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.749 18.908 -17.881 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.196 17.187 -15.094 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.004 18.698 -15.525 1.00 0.00 H new ATOM 1506 N ALA A 90 5.469 22.115 -18.958 1.00 0.00 N ATOM 1507 CA ALA A 90 5.606 23.089 -20.027 1.00 0.00 C ATOM 1508 C ALA A 90 4.817 24.350 -19.667 1.00 0.00 C ATOM 1509 O ALA A 90 3.638 24.273 -19.325 1.00 0.00 O ATOM 1510 CB ALA A 90 5.141 22.468 -21.346 1.00 0.00 C ATOM 0 H ALA A 90 4.781 22.358 -18.245 1.00 0.00 H new ATOM 0 HA ALA A 90 6.650 23.377 -20.152 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.244 23.199 -22.148 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.751 21.593 -21.571 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.096 22.169 -21.259 1.00 0.00 H new ATOM 1516 N VAL A 91 5.500 25.482 -19.756 1.00 0.00 N ATOM 1517 CA VAL A 91 4.879 26.757 -19.443 1.00 0.00 C ATOM 1518 C VAL A 91 3.932 27.150 -20.579 1.00 0.00 C ATOM 1519 O VAL A 91 4.223 26.903 -21.748 1.00 0.00 O ATOM 1520 CB VAL A 91 5.955 27.811 -19.171 1.00 0.00 C ATOM 1521 CG1 VAL A 91 5.336 29.203 -19.032 1.00 0.00 C ATOM 1522 CG2 VAL A 91 6.775 27.449 -17.931 1.00 0.00 C ATOM 0 H VAL A 91 6.478 25.542 -20.041 1.00 0.00 H new ATOM 0 HA VAL A 91 4.283 26.678 -18.534 1.00 0.00 H new ATOM 0 HB VAL A 91 6.631 27.829 -20.026 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.122 29.933 -18.839 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.817 29.464 -19.954 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.628 29.205 -18.204 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.533 28.214 -17.760 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.117 27.390 -17.064 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.261 26.485 -18.085 1.00 0.00 H new ATOM 1532 N PRO A 92 2.788 27.771 -20.185 1.00 0.00 N ATOM 1533 CA PRO A 92 1.797 28.201 -21.156 1.00 0.00 C ATOM 1534 C PRO A 92 2.263 29.455 -21.898 1.00 0.00 C ATOM 1535 O PRO A 92 3.390 29.910 -21.707 1.00 0.00 O ATOM 1536 CB PRO A 92 0.528 28.425 -20.350 1.00 0.00 C ATOM 1537 CG PRO A 92 0.972 28.563 -18.903 1.00 0.00 C ATOM 1538 CD PRO A 92 2.410 28.080 -18.809 1.00 0.00 C ATOM 0 HA PRO A 92 1.630 27.463 -21.941 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.005 29.321 -20.685 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.163 27.590 -20.469 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.896 29.600 -18.578 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.328 27.975 -18.248 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.058 28.846 -18.383 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.492 27.201 -18.169 1.00 0.00 H new ATOM 1546 N GLY A 93 1.373 29.978 -22.728 1.00 0.00 N ATOM 1547 CA GLY A 93 1.679 31.171 -23.500 1.00 0.00 C ATOM 1548 C GLY A 93 1.111 32.421 -22.825 1.00 0.00 C ATOM 1549 O GLY A 93 1.840 33.161 -22.167 1.00 0.00 O ATOM 0 H GLY A 93 0.439 29.598 -22.883 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.759 31.271 -23.609 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.265 31.075 -24.504 1.00 0.00 H new ATOM 1553 N SER A 94 -0.186 32.617 -23.012 1.00 0.00 N ATOM 1554 CA SER A 94 -0.860 33.765 -22.429 1.00 0.00 C ATOM 1555 C SER A 94 -0.432 35.045 -23.150 1.00 0.00 C ATOM 1556 O SER A 94 0.755 35.364 -23.202 1.00 0.00 O ATOM 1557 CB SER A 94 -0.567 33.875 -20.932 1.00 0.00 C ATOM 1558 OG SER A 94 -1.499 34.722 -20.266 1.00 0.00 O ATOM 0 H SER A 94 -0.788 32.001 -23.559 1.00 0.00 H new ATOM 0 HA SER A 94 -1.935 33.629 -22.551 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.595 32.882 -20.483 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.442 34.262 -20.788 1.00 0.00 H new ATOM 0 HG SER A 94 -1.279 34.765 -19.312 1.00 0.00 H new ATOM 1564 N GLU A 95 -1.421 35.743 -23.687 1.00 0.00 N ATOM 1565 CA GLU A 95 -1.161 36.981 -24.402 1.00 0.00 C ATOM 1566 C GLU A 95 -2.476 37.617 -24.858 1.00 0.00 C ATOM 1567 O GLU A 95 -3.514 36.957 -24.880 1.00 0.00 O ATOM 1568 CB GLU A 95 -0.226 36.743 -25.589 1.00 0.00 C ATOM 1569 CG GLU A 95 0.990 37.669 -25.524 1.00 0.00 C ATOM 1570 CD GLU A 95 2.134 37.134 -26.388 1.00 0.00 C ATOM 1571 OE1 GLU A 95 2.055 37.331 -27.620 1.00 0.00 O ATOM 1572 OE2 GLU A 95 3.061 36.539 -25.797 1.00 0.00 O ATOM 0 H GLU A 95 -2.404 35.475 -23.642 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.662 37.672 -23.722 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.104 35.704 -25.594 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.766 36.911 -26.521 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.710 38.667 -25.862 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.324 37.765 -24.491 1.00 0.00 H new ATOM 1579 N THR A 96 -2.389 38.891 -25.212 1.00 0.00 N ATOM 1580 CA THR A 96 -3.559 39.623 -25.667 1.00 0.00 C ATOM 1581 C THR A 96 -3.297 40.250 -27.037 1.00 0.00 C ATOM 1582 O THR A 96 -2.615 39.659 -27.874 1.00 0.00 O ATOM 1583 CB THR A 96 -3.925 40.646 -24.590 1.00 0.00 C ATOM 1584 OG1 THR A 96 -2.969 41.689 -24.764 1.00 0.00 O ATOM 1585 CG2 THR A 96 -3.658 40.128 -23.175 1.00 0.00 C ATOM 0 H THR A 96 -1.526 39.435 -25.193 1.00 0.00 H new ATOM 0 HA THR A 96 -4.411 38.958 -25.807 1.00 0.00 H new ATOM 0 HB THR A 96 -4.977 40.913 -24.686 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.134 42.397 -24.106 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.935 40.893 -22.449 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.249 39.229 -22.999 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.599 39.892 -23.068 1.00 0.00 H new ATOM 1593 N GLU A 97 -3.850 41.439 -27.224 1.00 0.00 N ATOM 1594 CA GLU A 97 -3.685 42.153 -28.479 1.00 0.00 C ATOM 1595 C GLU A 97 -4.499 43.448 -28.464 1.00 0.00 C ATOM 1596 O GLU A 97 -5.664 43.448 -28.069 1.00 0.00 O ATOM 1597 CB GLU A 97 -4.076 41.272 -29.667 1.00 0.00 C ATOM 1598 CG GLU A 97 -2.988 41.285 -30.742 1.00 0.00 C ATOM 1599 CD GLU A 97 -2.295 39.925 -30.838 1.00 0.00 C ATOM 1600 OE1 GLU A 97 -2.957 38.984 -31.327 1.00 0.00 O ATOM 1601 OE2 GLU A 97 -1.119 39.855 -30.420 1.00 0.00 O ATOM 0 H GLU A 97 -4.413 41.926 -26.527 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.632 42.411 -28.592 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.243 40.250 -29.327 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.016 41.625 -30.092 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.427 41.542 -31.706 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.253 42.056 -30.511 1.00 0.00 H new ATOM 1608 N GLY A 98 -3.854 44.520 -28.901 1.00 0.00 N ATOM 1609 CA GLY A 98 -4.505 45.819 -28.943 1.00 0.00 C ATOM 1610 C GLY A 98 -3.718 46.797 -29.817 1.00 0.00 C ATOM 1611 O GLY A 98 -2.489 46.826 -29.772 1.00 0.00 O ATOM 0 H GLY A 98 -2.888 44.516 -29.229 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.517 45.710 -29.333 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.594 46.218 -27.933 1.00 0.00 H new ATOM 1615 N GLU A 99 -4.459 47.575 -30.593 1.00 0.00 N ATOM 1616 CA GLU A 99 -3.847 48.552 -31.477 1.00 0.00 C ATOM 1617 C GLU A 99 -4.700 49.821 -31.537 1.00 0.00 C ATOM 1618 O GLU A 99 -5.403 50.147 -30.582 1.00 0.00 O ATOM 1619 CB GLU A 99 -3.633 47.969 -32.875 1.00 0.00 C ATOM 1620 CG GLU A 99 -2.261 48.360 -33.428 1.00 0.00 C ATOM 1621 CD GLU A 99 -1.339 47.143 -33.520 1.00 0.00 C ATOM 1622 OE1 GLU A 99 -1.452 46.420 -34.533 1.00 0.00 O ATOM 1623 OE2 GLU A 99 -0.541 46.962 -32.574 1.00 0.00 O ATOM 0 H GLU A 99 -5.478 47.548 -30.628 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.868 48.814 -31.075 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.718 46.883 -32.837 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.415 48.326 -33.545 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.377 48.808 -34.415 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.808 49.116 -32.786 1.00 0.00 H new ATOM 1630 N GLU A 100 -4.610 50.503 -32.670 1.00 0.00 N ATOM 1631 CA GLU A 100 -5.364 51.729 -32.867 1.00 0.00 C ATOM 1632 C GLU A 100 -5.111 52.288 -34.268 1.00 0.00 C ATOM 1633 O GLU A 100 -3.962 52.466 -34.671 1.00 0.00 O ATOM 1634 CB GLU A 100 -5.021 52.763 -31.793 1.00 0.00 C ATOM 1635 CG GLU A 100 -5.904 54.005 -31.926 1.00 0.00 C ATOM 1636 CD GLU A 100 -5.055 55.264 -32.117 1.00 0.00 C ATOM 1637 OE1 GLU A 100 -4.224 55.529 -31.222 1.00 0.00 O ATOM 1638 OE2 GLU A 100 -5.256 55.932 -33.154 1.00 0.00 O ATOM 0 H GLU A 100 -4.026 50.229 -33.461 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.425 51.498 -32.775 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.153 52.323 -30.804 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.972 53.047 -31.878 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.580 53.886 -32.773 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.524 54.112 -31.036 1.00 0.00 H new ATOM 1645 N ALA A 101 -6.202 52.551 -34.973 1.00 0.00 N ATOM 1646 CA ALA A 101 -6.112 53.087 -36.320 1.00 0.00 C ATOM 1647 C ALA A 101 -7.494 53.043 -36.975 1.00 0.00 C ATOM 1648 O ALA A 101 -7.873 52.032 -37.564 1.00 0.00 O ATOM 1649 CB ALA A 101 -5.065 52.302 -37.113 1.00 0.00 C ATOM 0 H ALA A 101 -7.153 52.403 -34.636 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.791 54.128 -36.298 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.997 52.704 -38.124 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.096 52.390 -36.622 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.355 51.252 -37.159 1.00 0.00 H new TER 1655 ALA A 101