USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 38:sc= 1.32 USER MOD Set 1.2: A 29 THR OG1 : rot -67:sc= 0.897 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 64 SER OG : rot 144:sc= -0.609! USER MOD Single : A 1 MET CE :methyl -141:sc= -1.12 (180deg=-6.37!) USER MOD Single : A 1 MET N :NH3+ -130:sc= 1.39 (180deg=-0.133) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0346) 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= -0.444 K(o=-0.44,f=-3.6!) USER MOD Single : A 15 ASN : amide:sc= -1.87! C(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 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 37 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.27) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0297) USER MOD Single : A 42 MET CE :methyl -166:sc= -6.38! (180deg=-6.72!) USER MOD Single : A 44 ASN : amide:sc= -0.751 K(o=-0.75,f=-0.035) 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -108:sc= 1.24 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 -124:sc= 0 (180deg=-0.257) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.401 -10.632 8.708 1.00 0.00 N ATOM 2 CA MET A 1 -10.964 -10.832 8.788 1.00 0.00 C ATOM 3 C MET A 1 -10.411 -10.304 10.113 1.00 0.00 C ATOM 4 O MET A 1 -11.152 -9.748 10.923 1.00 0.00 O ATOM 5 CB MET A 1 -10.282 -10.108 7.625 1.00 0.00 C ATOM 6 CG MET A 1 -10.504 -8.597 7.714 1.00 0.00 C ATOM 7 SD MET A 1 -11.988 -8.144 6.831 1.00 0.00 S ATOM 8 CE MET A 1 -11.836 -6.366 6.862 1.00 0.00 C ATOM 0 H1 MET A 1 -12.861 -11.523 8.432 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.761 -10.329 9.635 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.611 -9.901 7.999 1.00 0.00 H new ATOM 0 HA MET A 1 -10.761 -11.901 8.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.214 -10.323 7.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.674 -10.482 6.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.585 -8.294 8.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.647 -8.070 7.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.817 -5.920 7.023 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.167 -6.072 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.431 -6.019 5.911 1.00 0.00 H new ATOM 18 N ASP A 2 -9.112 -10.496 10.294 1.00 0.00 N ATOM 19 CA ASP A 2 -8.451 -10.046 11.507 1.00 0.00 C ATOM 20 C ASP A 2 -7.416 -8.977 11.152 1.00 0.00 C ATOM 21 O ASP A 2 -6.582 -9.183 10.271 1.00 0.00 O ATOM 22 CB ASP A 2 -7.721 -11.200 12.197 1.00 0.00 C ATOM 23 CG ASP A 2 -8.339 -11.656 13.520 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.032 -11.006 14.543 1.00 0.00 O ATOM 25 OD2 ASP A 2 -9.103 -12.644 13.480 1.00 0.00 O ATOM 0 H ASP A 2 -8.500 -10.957 9.621 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.212 -9.648 12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.690 -12.050 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.689 -10.900 12.379 1.00 0.00 H new ATOM 30 N ILE A 3 -7.502 -7.858 11.856 1.00 0.00 N ATOM 31 CA ILE A 3 -6.583 -6.756 11.626 1.00 0.00 C ATOM 32 C ILE A 3 -5.678 -6.588 12.848 1.00 0.00 C ATOM 33 O ILE A 3 -6.112 -6.803 13.979 1.00 0.00 O ATOM 34 CB ILE A 3 -7.351 -5.487 11.250 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.102 -5.671 9.930 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.420 -4.273 11.216 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.610 -4.330 9.397 1.00 0.00 C ATOM 0 H ILE A 3 -8.194 -7.691 12.586 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.935 -6.972 10.777 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.098 -5.299 12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.444 -6.133 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.942 -6.350 10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.991 -3.384 10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.971 -4.131 12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.634 -4.437 10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.140 -4.489 8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.287 -3.882 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.765 -3.662 9.228 1.00 0.00 H new ATOM 49 N LYS A 4 -4.438 -6.207 12.579 1.00 0.00 N ATOM 50 CA LYS A 4 -3.469 -6.008 13.643 1.00 0.00 C ATOM 51 C LYS A 4 -2.686 -4.720 13.380 1.00 0.00 C ATOM 52 O LYS A 4 -1.851 -4.670 12.479 1.00 0.00 O ATOM 53 CB LYS A 4 -2.583 -7.246 13.798 1.00 0.00 C ATOM 54 CG LYS A 4 -1.664 -7.417 12.587 1.00 0.00 C ATOM 55 CD LYS A 4 -1.081 -8.831 12.537 1.00 0.00 C ATOM 56 CE LYS A 4 0.437 -8.806 12.726 1.00 0.00 C ATOM 57 NZ LYS A 4 1.090 -9.761 11.804 1.00 0.00 N ATOM 0 H LYS A 4 -4.082 -6.031 11.639 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.974 -5.884 14.601 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.984 -7.158 14.704 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.207 -8.132 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.221 -7.217 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.855 -6.688 12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.538 -9.444 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.324 -9.295 11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.815 -7.800 12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.685 -9.059 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.098 -9.845 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.635 -10.692 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.997 -9.418 10.826 1.00 0.00 H new ATOM 71 N ILE A 5 -2.985 -3.710 14.183 1.00 0.00 N ATOM 72 CA ILE A 5 -2.319 -2.425 14.049 1.00 0.00 C ATOM 73 C ILE A 5 -0.820 -2.604 14.296 1.00 0.00 C ATOM 74 O ILE A 5 -0.405 -2.928 15.407 1.00 0.00 O ATOM 75 CB ILE A 5 -2.973 -1.385 14.961 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.406 -1.088 14.515 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.124 -0.115 15.041 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.352 -1.026 15.716 1.00 0.00 C ATOM 0 H ILE A 5 -3.679 -3.755 14.929 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.432 -2.041 13.035 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.028 -1.800 15.967 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.434 -0.141 13.976 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.742 -1.859 13.822 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.611 0.608 15.695 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.140 -0.360 15.440 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.015 0.313 14.045 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.364 -0.814 15.371 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.340 -1.983 16.238 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.027 -0.238 16.395 1.00 0.00 H new ATOM 90 N ILE A 6 -0.049 -2.384 13.241 1.00 0.00 N ATOM 91 CA ILE A 6 1.395 -2.517 13.329 1.00 0.00 C ATOM 92 C ILE A 6 1.973 -1.295 14.046 1.00 0.00 C ATOM 93 O ILE A 6 2.436 -1.398 15.181 1.00 0.00 O ATOM 94 CB ILE A 6 1.997 -2.758 11.943 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.570 -4.119 11.389 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.519 -2.602 11.971 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.468 -5.235 11.926 1.00 0.00 C ATOM 0 H ILE A 6 -0.397 -2.115 12.321 1.00 0.00 H new ATOM 0 HA ILE A 6 1.661 -3.391 13.923 1.00 0.00 H new ATOM 0 HB ILE A 6 1.608 -1.998 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.534 -4.318 11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.615 -4.103 10.300 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.921 -2.779 10.973 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.775 -1.592 12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.946 -3.324 12.667 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.143 -6.192 11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.500 -5.046 11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.401 -5.264 13.014 1.00 0.00 H new ATOM 109 N LYS A 7 1.926 -0.166 13.354 1.00 0.00 N ATOM 110 CA LYS A 7 2.439 1.075 13.910 1.00 0.00 C ATOM 111 C LYS A 7 1.587 2.243 13.410 1.00 0.00 C ATOM 112 O LYS A 7 0.882 2.119 12.410 1.00 0.00 O ATOM 113 CB LYS A 7 3.930 1.225 13.602 1.00 0.00 C ATOM 114 CG LYS A 7 4.783 0.785 14.794 1.00 0.00 C ATOM 115 CD LYS A 7 5.421 1.991 15.486 1.00 0.00 C ATOM 116 CE LYS A 7 6.932 2.023 15.247 1.00 0.00 C ATOM 117 NZ LYS A 7 7.228 2.405 13.848 1.00 0.00 N ATOM 0 H LYS A 7 1.541 -0.085 12.413 1.00 0.00 H new ATOM 0 HA LYS A 7 2.362 1.066 14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.186 0.628 12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.151 2.263 13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.165 0.238 15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.562 0.101 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.970 2.910 15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.219 1.950 16.556 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.399 2.732 15.930 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.361 1.044 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.258 2.422 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.799 1.713 13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.836 3.349 13.655 1.00 0.00 H new ATOM 131 N ASP A 8 1.680 3.352 14.129 1.00 0.00 N ATOM 132 CA ASP A 8 0.927 4.542 13.771 1.00 0.00 C ATOM 133 C ASP A 8 1.863 5.752 13.772 1.00 0.00 C ATOM 134 O ASP A 8 2.333 6.177 14.827 1.00 0.00 O ATOM 135 CB ASP A 8 -0.193 4.809 14.779 1.00 0.00 C ATOM 136 CG ASP A 8 -0.628 6.272 14.889 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.538 6.970 13.856 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.041 6.659 16.004 1.00 0.00 O ATOM 0 H ASP A 8 2.266 3.451 14.958 1.00 0.00 H new ATOM 0 HA ASP A 8 0.493 4.382 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.060 4.208 14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.134 4.468 15.761 1.00 0.00 H new ATOM 143 N LYS A 9 2.106 6.273 12.578 1.00 0.00 N ATOM 144 CA LYS A 9 2.977 7.426 12.428 1.00 0.00 C ATOM 145 C LYS A 9 2.125 8.687 12.274 1.00 0.00 C ATOM 146 O LYS A 9 1.047 8.644 11.682 1.00 0.00 O ATOM 147 CB LYS A 9 3.964 7.206 11.280 1.00 0.00 C ATOM 148 CG LYS A 9 4.649 8.517 10.887 1.00 0.00 C ATOM 149 CD LYS A 9 6.130 8.289 10.576 1.00 0.00 C ATOM 150 CE LYS A 9 6.733 9.501 9.864 1.00 0.00 C ATOM 151 NZ LYS A 9 8.196 9.555 10.081 1.00 0.00 N ATOM 0 H LYS A 9 1.715 5.918 11.706 1.00 0.00 H new ATOM 0 HA LYS A 9 3.588 7.561 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.715 6.474 11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.439 6.793 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.152 8.944 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.551 9.240 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.674 8.098 11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.242 7.403 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.520 9.446 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.270 10.416 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.589 10.384 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.393 9.629 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.635 8.690 9.705 1.00 0.00 H new ATOM 165 N LYS A 10 2.640 9.781 12.816 1.00 0.00 N ATOM 166 CA LYS A 10 1.940 11.052 12.745 1.00 0.00 C ATOM 167 C LYS A 10 2.711 12.004 11.829 1.00 0.00 C ATOM 168 O LYS A 10 3.936 11.932 11.741 1.00 0.00 O ATOM 169 CB LYS A 10 1.700 11.611 14.149 1.00 0.00 C ATOM 170 CG LYS A 10 0.211 11.865 14.391 1.00 0.00 C ATOM 171 CD LYS A 10 -0.003 12.723 15.640 1.00 0.00 C ATOM 172 CE LYS A 10 -0.533 11.879 16.801 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.765 12.480 17.358 1.00 0.00 N ATOM 0 H LYS A 10 3.534 9.813 13.306 1.00 0.00 H new ATOM 0 HA LYS A 10 0.951 10.917 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.079 10.910 14.893 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.256 12.540 14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.222 12.364 13.524 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.310 10.914 14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.937 13.194 15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.707 13.525 15.418 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.739 10.865 16.457 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.226 11.803 17.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.112 11.895 18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.558 13.439 17.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.493 12.530 16.617 1.00 0.00 H new ATOM 187 N ASN A 11 1.962 12.875 11.168 1.00 0.00 N ATOM 188 CA ASN A 11 2.559 13.841 10.261 1.00 0.00 C ATOM 189 C ASN A 11 1.694 15.102 10.223 1.00 0.00 C ATOM 190 O ASN A 11 0.711 15.163 9.486 1.00 0.00 O ATOM 191 CB ASN A 11 2.644 13.282 8.840 1.00 0.00 C ATOM 192 CG ASN A 11 3.540 14.155 7.960 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.184 15.085 8.415 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.545 13.804 6.677 1.00 0.00 N ATOM 0 H ASN A 11 0.946 12.932 11.243 1.00 0.00 H new ATOM 0 HA ASN A 11 3.563 14.065 10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.036 12.265 8.868 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.645 13.227 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.112 14.325 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.982 13.014 6.362 1.00 0.00 H new ATOM 201 N PRO A 12 2.101 16.103 11.048 1.00 0.00 N ATOM 202 CA PRO A 12 1.374 17.360 11.116 1.00 0.00 C ATOM 203 C PRO A 12 1.649 18.219 9.880 1.00 0.00 C ATOM 204 O PRO A 12 0.913 19.164 9.601 1.00 0.00 O ATOM 205 CB PRO A 12 1.836 18.013 12.408 1.00 0.00 C ATOM 206 CG PRO A 12 3.139 17.325 12.780 1.00 0.00 C ATOM 207 CD PRO A 12 3.260 16.067 11.936 1.00 0.00 C ATOM 0 HA PRO A 12 0.293 17.221 11.121 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.985 19.084 12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.092 17.891 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.985 17.988 12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.149 17.075 13.841 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.192 16.058 11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.255 15.171 12.557 1.00 0.00 H new ATOM 215 N LEU A 13 2.710 17.860 9.173 1.00 0.00 N ATOM 216 CA LEU A 13 3.091 18.586 7.974 1.00 0.00 C ATOM 217 C LEU A 13 1.985 18.447 6.925 1.00 0.00 C ATOM 218 O LEU A 13 1.342 19.430 6.562 1.00 0.00 O ATOM 219 CB LEU A 13 4.465 18.127 7.483 1.00 0.00 C ATOM 220 CG LEU A 13 5.595 18.171 8.514 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.896 17.622 7.926 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.771 19.584 9.074 1.00 0.00 C ATOM 0 H LEU A 13 3.318 17.075 9.408 1.00 0.00 H new ATOM 0 HA LEU A 13 3.194 19.649 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.375 17.105 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.751 18.747 6.633 1.00 0.00 H new ATOM 0 HG LEU A 13 5.321 17.525 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.682 17.665 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.747 16.588 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.187 18.222 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.580 19.588 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.012 20.270 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.846 19.902 9.555 1.00 0.00 H new ATOM 234 N LEU A 14 1.799 17.217 6.468 1.00 0.00 N ATOM 235 CA LEU A 14 0.782 16.937 5.469 1.00 0.00 C ATOM 236 C LEU A 14 -0.589 16.882 6.144 1.00 0.00 C ATOM 237 O LEU A 14 -1.618 16.912 5.471 1.00 0.00 O ATOM 238 CB LEU A 14 1.135 15.669 4.688 1.00 0.00 C ATOM 239 CG LEU A 14 2.516 15.648 4.031 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.817 14.274 3.430 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.649 16.767 2.996 1.00 0.00 C ATOM 0 H LEU A 14 2.335 16.404 6.771 1.00 0.00 H new ATOM 0 HA LEU A 14 0.741 17.738 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.064 14.818 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.383 15.523 3.912 1.00 0.00 H new ATOM 0 HG LEU A 14 3.263 15.833 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.805 14.287 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.793 13.520 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.068 14.035 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 16.729 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.892 16.638 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.509 17.732 3.483 1.00 0.00 H new ATOM 253 N ASN A 15 -0.559 16.802 7.466 1.00 0.00 N ATOM 254 CA ASN A 15 -1.788 16.742 8.240 1.00 0.00 C ATOM 255 C ASN A 15 -2.454 15.381 8.027 1.00 0.00 C ATOM 256 O ASN A 15 -3.673 15.300 7.878 1.00 0.00 O ATOM 257 CB ASN A 15 -2.772 17.826 7.795 1.00 0.00 C ATOM 258 CG ASN A 15 -3.873 18.028 8.839 1.00 0.00 C ATOM 259 OD1 ASN A 15 -5.036 17.732 8.618 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.443 18.549 9.985 1.00 0.00 N ATOM 0 H ASN A 15 0.296 16.777 8.021 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.534 16.894 9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.239 18.764 7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.218 17.548 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.101 18.724 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.455 18.774 10.104 1.00 0.00 H new ATOM 267 N ARG A 16 -1.626 14.347 8.019 1.00 0.00 N ATOM 268 CA ARG A 16 -2.120 12.994 7.827 1.00 0.00 C ATOM 269 C ARG A 16 -1.585 12.073 8.925 1.00 0.00 C ATOM 270 O ARG A 16 -0.992 12.539 9.897 1.00 0.00 O ATOM 271 CB ARG A 16 -1.703 12.445 6.461 1.00 0.00 C ATOM 272 CG ARG A 16 -0.198 12.177 6.414 1.00 0.00 C ATOM 273 CD ARG A 16 0.254 11.836 4.993 1.00 0.00 C ATOM 274 NE ARG A 16 1.629 11.288 5.016 1.00 0.00 N ATOM 275 CZ ARG A 16 2.384 11.106 3.925 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.903 11.427 2.716 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.620 10.603 4.041 1.00 0.00 N ATOM 0 H ARG A 16 -0.616 14.419 8.142 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.208 13.028 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.247 11.523 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.974 13.157 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.342 13.054 6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.050 11.355 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.428 11.110 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.220 12.728 4.368 1.00 0.00 H new ATOM 0 HE ARG A 16 2.027 11.033 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.962 11.810 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.478 11.288 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.987 10.358 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.194 10.465 3.210 1.00 0.00 H new ATOM 291 N ARG A 17 -1.812 10.782 8.732 1.00 0.00 N ATOM 292 CA ARG A 17 -1.360 9.791 9.694 1.00 0.00 C ATOM 293 C ARG A 17 -1.126 8.447 9.001 1.00 0.00 C ATOM 294 O ARG A 17 -2.069 7.817 8.525 1.00 0.00 O ATOM 295 CB ARG A 17 -2.383 9.606 10.817 1.00 0.00 C ATOM 296 CG ARG A 17 -1.755 9.888 12.183 1.00 0.00 C ATOM 297 CD ARG A 17 -2.820 10.295 13.203 1.00 0.00 C ATOM 298 NE ARG A 17 -3.063 9.184 14.151 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.949 9.234 15.155 1.00 0.00 C ATOM 300 NH1 ARG A 17 -4.682 10.339 15.348 1.00 0.00 N ATOM 301 NH2 ARG A 17 -4.103 8.178 15.966 1.00 0.00 N ATOM 0 H ARG A 17 -2.303 10.399 7.924 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.425 10.150 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.229 10.274 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.772 8.588 10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.229 9.001 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.014 10.682 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.495 11.183 13.746 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.746 10.556 12.690 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.522 8.327 14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.566 11.142 14.731 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.356 10.377 16.112 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.546 7.336 15.819 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.777 8.216 16.730 1.00 0.00 H new ATOM 315 N GLU A 18 0.137 8.048 8.966 1.00 0.00 N ATOM 316 CA GLU A 18 0.508 6.790 8.340 1.00 0.00 C ATOM 317 C GLU A 18 0.369 5.639 9.337 1.00 0.00 C ATOM 318 O GLU A 18 1.175 5.509 10.257 1.00 0.00 O ATOM 319 CB GLU A 18 1.927 6.857 7.774 1.00 0.00 C ATOM 320 CG GLU A 18 2.131 8.132 6.953 1.00 0.00 C ATOM 321 CD GLU A 18 2.083 7.832 5.453 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.019 7.355 5.004 1.00 0.00 O ATOM 323 OE2 GLU A 18 3.111 8.087 4.790 1.00 0.00 O ATOM 0 H GLU A 18 0.917 8.574 9.361 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.172 6.607 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.649 6.826 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.114 5.984 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.360 8.859 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.090 8.583 7.207 1.00 0.00 H new ATOM 330 N LEU A 19 -0.660 4.832 9.122 1.00 0.00 N ATOM 331 CA LEU A 19 -0.915 3.696 9.990 1.00 0.00 C ATOM 332 C LEU A 19 -0.633 2.401 9.226 1.00 0.00 C ATOM 333 O LEU A 19 -1.047 2.251 8.077 1.00 0.00 O ATOM 334 CB LEU A 19 -2.329 3.771 10.571 1.00 0.00 C ATOM 335 CG LEU A 19 -2.769 5.142 11.087 1.00 0.00 C ATOM 336 CD1 LEU A 19 -4.048 5.608 10.387 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.922 5.131 12.610 1.00 0.00 C ATOM 0 H LEU A 19 -1.327 4.943 8.358 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.242 3.714 10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.033 3.450 9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.402 3.056 11.390 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.989 5.864 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.339 6.585 10.773 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.870 5.680 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.847 4.891 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.236 6.118 12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.672 4.393 12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.968 4.874 13.070 1.00 0.00 H new ATOM 349 N ASP A 20 0.070 1.498 9.894 1.00 0.00 N ATOM 350 CA ASP A 20 0.413 0.221 9.291 1.00 0.00 C ATOM 351 C ASP A 20 -0.279 -0.904 10.063 1.00 0.00 C ATOM 352 O ASP A 20 -0.357 -0.863 11.289 1.00 0.00 O ATOM 353 CB ASP A 20 1.922 -0.027 9.346 1.00 0.00 C ATOM 354 CG ASP A 20 2.781 1.066 8.705 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.179 1.972 8.090 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.019 0.970 8.846 1.00 0.00 O ATOM 0 H ASP A 20 0.411 1.625 10.847 1.00 0.00 H new ATOM 0 HA ASP A 20 0.089 0.241 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.219 -0.137 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.138 -0.974 8.852 1.00 0.00 H new ATOM 361 N PHE A 21 -0.764 -1.882 9.312 1.00 0.00 N ATOM 362 CA PHE A 21 -1.447 -3.016 9.910 1.00 0.00 C ATOM 363 C PHE A 21 -1.396 -4.236 8.987 1.00 0.00 C ATOM 364 O PHE A 21 -1.023 -4.121 7.821 1.00 0.00 O ATOM 365 CB PHE A 21 -2.907 -2.604 10.110 1.00 0.00 C ATOM 366 CG PHE A 21 -3.641 -2.261 8.812 1.00 0.00 C ATOM 367 CD1 PHE A 21 -4.041 -3.255 7.974 1.00 0.00 C ATOM 368 CD2 PHE A 21 -3.892 -0.963 8.495 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.722 -2.937 6.769 1.00 0.00 C ATOM 370 CE2 PHE A 21 -4.573 -0.644 7.290 1.00 0.00 C ATOM 371 CZ PHE A 21 -4.973 -1.638 6.453 1.00 0.00 C ATOM 0 H PHE A 21 -0.697 -1.912 8.295 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.967 -3.285 10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.437 -3.414 10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.942 -1.740 10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.841 -4.286 8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.573 -0.174 9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.040 -3.726 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.773 0.387 7.039 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.490 -1.396 5.536 1.00 0.00 H new ATOM 381 N ILE A 22 -1.776 -5.376 9.545 1.00 0.00 N ATOM 382 CA ILE A 22 -1.778 -6.616 8.787 1.00 0.00 C ATOM 383 C ILE A 22 -3.175 -7.237 8.837 1.00 0.00 C ATOM 384 O ILE A 22 -3.767 -7.357 9.909 1.00 0.00 O ATOM 385 CB ILE A 22 -0.672 -7.549 9.284 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.685 -6.841 9.280 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.644 -8.846 8.473 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.190 -6.631 7.851 1.00 0.00 C ATOM 0 H ILE A 22 -2.085 -5.467 10.513 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.553 -6.422 7.738 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.891 -7.820 10.317 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.598 -5.878 9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.409 -7.431 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.151 -9.492 8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.602 -9.357 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.461 -8.615 7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.156 -6.126 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.299 -7.597 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.476 -6.020 7.299 1.00 0.00 H new ATOM 400 N VAL A 23 -3.662 -7.616 7.665 1.00 0.00 N ATOM 401 CA VAL A 23 -4.978 -8.222 7.562 1.00 0.00 C ATOM 402 C VAL A 23 -4.826 -9.733 7.373 1.00 0.00 C ATOM 403 O VAL A 23 -4.157 -10.181 6.444 1.00 0.00 O ATOM 404 CB VAL A 23 -5.774 -7.556 6.437 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.251 -7.952 6.502 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.612 -6.035 6.477 1.00 0.00 C ATOM 0 H VAL A 23 -3.168 -7.515 6.778 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.544 -8.065 8.480 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.373 -7.911 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.794 -7.465 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.342 -9.034 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.670 -7.640 7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.188 -5.586 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.974 -5.656 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.559 -5.778 6.359 1.00 0.00 H new ATOM 416 N LYS A 24 -5.459 -10.475 8.269 1.00 0.00 N ATOM 417 CA LYS A 24 -5.403 -11.926 8.213 1.00 0.00 C ATOM 418 C LYS A 24 -6.823 -12.483 8.095 1.00 0.00 C ATOM 419 O LYS A 24 -7.770 -11.895 8.614 1.00 0.00 O ATOM 420 CB LYS A 24 -4.623 -12.479 9.408 1.00 0.00 C ATOM 421 CG LYS A 24 -3.142 -12.650 9.064 1.00 0.00 C ATOM 422 CD LYS A 24 -2.302 -12.827 10.331 1.00 0.00 C ATOM 423 CE LYS A 24 -0.946 -13.457 10.006 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.946 -14.895 10.356 1.00 0.00 N ATOM 0 H LYS A 24 -6.013 -10.099 9.038 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.858 -12.252 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.727 -11.805 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.043 -13.439 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.013 -13.516 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.791 -11.780 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.152 -11.860 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.838 -13.456 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.726 -13.335 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.158 -12.943 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.019 -15.307 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.134 -15.005 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.685 -15.385 9.812 1.00 0.00 H new ATOM 438 N TYR A 25 -6.926 -13.612 7.408 1.00 0.00 N ATOM 439 CA TYR A 25 -8.214 -14.255 7.215 1.00 0.00 C ATOM 440 C TYR A 25 -8.042 -15.677 6.678 1.00 0.00 C ATOM 441 O TYR A 25 -6.952 -16.057 6.253 1.00 0.00 O ATOM 442 CB TYR A 25 -8.953 -13.415 6.173 1.00 0.00 C ATOM 443 CG TYR A 25 -8.114 -13.073 4.940 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.339 -11.931 4.928 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.131 -13.907 3.841 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.549 -11.609 3.767 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.341 -13.586 2.681 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.589 -12.453 2.701 1.00 0.00 C ATOM 449 OH TYR A 25 -5.842 -12.149 1.606 1.00 0.00 O ATOM 0 H TYR A 25 -6.138 -14.097 6.979 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.755 -14.321 8.159 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.846 -13.953 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.289 -12.489 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.325 -11.279 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.737 -14.801 3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.939 -10.718 3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.345 -14.230 1.814 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.988 -11.762 1.890 1.00 0.00 H new ATOM 459 N GLU A 26 -9.135 -16.426 6.713 1.00 0.00 N ATOM 460 CA GLU A 26 -9.119 -17.797 6.235 1.00 0.00 C ATOM 461 C GLU A 26 -10.221 -18.010 5.195 1.00 0.00 C ATOM 462 O GLU A 26 -11.180 -18.739 5.443 1.00 0.00 O ATOM 463 CB GLU A 26 -9.261 -18.784 7.395 1.00 0.00 C ATOM 464 CG GLU A 26 -7.890 -19.199 7.934 1.00 0.00 C ATOM 465 CD GLU A 26 -7.833 -19.053 9.456 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.430 -18.075 9.955 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.193 -19.922 10.086 1.00 0.00 O ATOM 0 H GLU A 26 -10.038 -16.108 7.066 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.157 -17.984 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.847 -18.330 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.807 -19.667 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.684 -20.233 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.114 -18.585 7.477 1.00 0.00 H new ATOM 474 N GLY A 27 -10.047 -17.361 4.054 1.00 0.00 N ATOM 475 CA GLY A 27 -11.015 -17.470 2.975 1.00 0.00 C ATOM 476 C GLY A 27 -10.806 -16.365 1.937 1.00 0.00 C ATOM 477 O GLY A 27 -9.671 -16.006 1.628 1.00 0.00 O ATOM 0 H GLY A 27 -9.250 -16.757 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.923 -18.445 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.025 -17.407 3.380 1.00 0.00 H new ATOM 481 N SER A 28 -11.919 -15.859 1.427 1.00 0.00 N ATOM 482 CA SER A 28 -11.872 -14.803 0.430 1.00 0.00 C ATOM 483 C SER A 28 -10.997 -13.651 0.928 1.00 0.00 C ATOM 484 O SER A 28 -10.863 -13.445 2.133 1.00 0.00 O ATOM 485 CB SER A 28 -13.277 -14.296 0.098 1.00 0.00 C ATOM 486 OG SER A 28 -13.844 -14.984 -1.014 1.00 0.00 O ATOM 0 H SER A 28 -12.859 -16.160 1.685 1.00 0.00 H new ATOM 0 HA SER A 28 -11.438 -15.213 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.922 -14.420 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.235 -13.229 -0.119 1.00 0.00 H new ATOM 0 HG SER A 28 -14.741 -14.633 -1.193 1.00 0.00 H new ATOM 492 N THR A 29 -10.423 -12.931 -0.025 1.00 0.00 N ATOM 493 CA THR A 29 -9.564 -11.806 0.302 1.00 0.00 C ATOM 494 C THR A 29 -10.405 -10.568 0.619 1.00 0.00 C ATOM 495 O THR A 29 -11.388 -10.288 -0.066 1.00 0.00 O ATOM 496 CB THR A 29 -8.593 -11.599 -0.862 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.560 -12.552 -0.625 1.00 0.00 O ATOM 498 CG2 THR A 29 -7.877 -10.248 -0.794 1.00 0.00 C ATOM 0 H THR A 29 -10.536 -13.105 -1.024 1.00 0.00 H new ATOM 0 HA THR A 29 -8.980 -12.002 1.201 1.00 0.00 H new ATOM 0 HB THR A 29 -9.134 -11.675 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.069 -12.307 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.200 -10.152 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.613 -9.444 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.308 -10.184 0.133 1.00 0.00 H new ATOM 506 N PRO A 30 -9.977 -9.840 1.685 1.00 0.00 N ATOM 507 CA PRO A 30 -10.680 -8.638 2.101 1.00 0.00 C ATOM 508 C PRO A 30 -10.391 -7.476 1.148 1.00 0.00 C ATOM 509 O PRO A 30 -9.292 -7.373 0.605 1.00 0.00 O ATOM 510 CB PRO A 30 -10.202 -8.375 3.520 1.00 0.00 C ATOM 511 CG PRO A 30 -8.912 -9.162 3.679 1.00 0.00 C ATOM 512 CD PRO A 30 -8.817 -10.141 2.519 1.00 0.00 C ATOM 0 HA PRO A 30 -11.764 -8.754 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.033 -7.311 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.947 -8.695 4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.053 -8.491 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.905 -9.695 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.887 -10.011 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.838 -11.173 2.869 1.00 0.00 H new ATOM 520 N SER A 31 -11.397 -6.631 0.975 1.00 0.00 N ATOM 521 CA SER A 31 -11.265 -5.481 0.097 1.00 0.00 C ATOM 522 C SER A 31 -10.840 -4.253 0.904 1.00 0.00 C ATOM 523 O SER A 31 -11.199 -4.119 2.073 1.00 0.00 O ATOM 524 CB SER A 31 -12.573 -5.202 -0.646 1.00 0.00 C ATOM 525 OG SER A 31 -12.775 -6.106 -1.729 1.00 0.00 O ATOM 0 H SER A 31 -12.307 -6.720 1.428 1.00 0.00 H new ATOM 0 HA SER A 31 -10.498 -5.703 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.408 -5.278 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.564 -4.180 -1.024 1.00 0.00 H new ATOM 0 HG SER A 31 -13.621 -5.896 -2.177 1.00 0.00 H new ATOM 531 N ARG A 32 -10.082 -3.386 0.248 1.00 0.00 N ATOM 532 CA ARG A 32 -9.605 -2.174 0.891 1.00 0.00 C ATOM 533 C ARG A 32 -10.749 -1.480 1.632 1.00 0.00 C ATOM 534 O ARG A 32 -10.537 -0.879 2.684 1.00 0.00 O ATOM 535 CB ARG A 32 -9.009 -1.205 -0.134 1.00 0.00 C ATOM 536 CG ARG A 32 -7.660 -1.712 -0.647 1.00 0.00 C ATOM 537 CD ARG A 32 -7.527 -1.486 -2.154 1.00 0.00 C ATOM 538 NE ARG A 32 -7.331 -2.781 -2.844 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.621 -2.996 -4.135 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.122 -2.004 -4.883 1.00 0.00 N ATOM 541 NH2 ARG A 32 -7.410 -4.203 -4.677 1.00 0.00 N ATOM 0 H ARG A 32 -9.787 -3.499 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.828 -2.459 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.698 -1.085 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.884 -0.222 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.852 -1.198 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.558 -2.774 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.420 -0.992 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.685 -0.825 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.952 -3.558 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.283 -1.085 -4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.343 -2.167 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.029 -4.958 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.631 -4.367 -5.659 1.00 0.00 H new ATOM 555 N ASN A 33 -11.937 -1.587 1.055 1.00 0.00 N ATOM 556 CA ASN A 33 -13.115 -0.978 1.648 1.00 0.00 C ATOM 557 C ASN A 33 -13.400 -1.638 2.999 1.00 0.00 C ATOM 558 O ASN A 33 -13.590 -0.951 4.001 1.00 0.00 O ATOM 559 CB ASN A 33 -14.344 -1.173 0.758 1.00 0.00 C ATOM 560 CG ASN A 33 -14.367 -0.148 -0.377 1.00 0.00 C ATOM 561 OD1 ASN A 33 -14.364 1.054 -0.163 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.392 -0.686 -1.593 1.00 0.00 N ATOM 0 H ASN A 33 -12.109 -2.087 0.183 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.920 0.088 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.340 -2.181 0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.250 -1.078 1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.410 -0.084 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.393 -1.700 -1.702 1.00 0.00 H new ATOM 569 N ASP A 34 -13.420 -2.962 2.982 1.00 0.00 N ATOM 570 CA ASP A 34 -13.679 -3.722 4.192 1.00 0.00 C ATOM 571 C ASP A 34 -12.639 -3.354 5.252 1.00 0.00 C ATOM 572 O ASP A 34 -12.992 -2.947 6.358 1.00 0.00 O ATOM 573 CB ASP A 34 -13.576 -5.226 3.931 1.00 0.00 C ATOM 574 CG ASP A 34 -14.871 -5.891 3.460 1.00 0.00 C ATOM 575 OD1 ASP A 34 -15.811 -5.948 4.282 1.00 0.00 O ATOM 576 OD2 ASP A 34 -14.891 -6.328 2.289 1.00 0.00 O ATOM 0 H ASP A 34 -13.261 -3.528 2.149 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.687 -3.483 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.804 -5.397 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.246 -5.717 4.847 1.00 0.00 H new ATOM 581 N VAL A 35 -11.378 -3.511 4.878 1.00 0.00 N ATOM 582 CA VAL A 35 -10.284 -3.200 5.782 1.00 0.00 C ATOM 583 C VAL A 35 -10.430 -1.759 6.276 1.00 0.00 C ATOM 584 O VAL A 35 -10.100 -1.455 7.421 1.00 0.00 O ATOM 585 CB VAL A 35 -8.944 -3.463 5.093 1.00 0.00 C ATOM 586 CG1 VAL A 35 -7.776 -3.034 5.983 1.00 0.00 C ATOM 587 CG2 VAL A 35 -8.814 -4.933 4.688 1.00 0.00 C ATOM 0 H VAL A 35 -11.089 -3.850 3.960 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.316 -3.849 6.657 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.911 -2.862 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.835 -3.232 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.855 -1.968 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.805 -3.596 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.852 -5.092 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.879 -5.562 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.618 -5.193 3.999 1.00 0.00 H new ATOM 597 N ARG A 36 -10.924 -0.910 5.387 1.00 0.00 N ATOM 598 CA ARG A 36 -11.118 0.492 5.717 1.00 0.00 C ATOM 599 C ARG A 36 -12.143 0.635 6.844 1.00 0.00 C ATOM 600 O ARG A 36 -11.866 1.263 7.864 1.00 0.00 O ATOM 601 CB ARG A 36 -11.596 1.284 4.499 1.00 0.00 C ATOM 602 CG ARG A 36 -10.536 2.293 4.050 1.00 0.00 C ATOM 603 CD ARG A 36 -11.187 3.569 3.514 1.00 0.00 C ATOM 604 NE ARG A 36 -10.597 3.926 2.204 1.00 0.00 N ATOM 605 CZ ARG A 36 -11.192 4.718 1.302 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.398 5.241 1.563 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.582 4.987 0.140 1.00 0.00 N ATOM 0 H ARG A 36 -11.196 -1.166 4.438 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.157 0.892 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.821 0.599 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.521 1.807 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.883 2.538 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.909 1.848 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.262 3.423 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.043 4.385 4.222 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.679 3.545 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.862 5.036 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.852 5.844 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.664 4.589 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.035 5.590 -0.546 1.00 0.00 H new ATOM 621 N ASN A 37 -13.306 0.040 6.622 1.00 0.00 N ATOM 622 CA ASN A 37 -14.374 0.094 7.606 1.00 0.00 C ATOM 623 C ASN A 37 -13.855 -0.436 8.944 1.00 0.00 C ATOM 624 O ASN A 37 -14.138 0.138 9.995 1.00 0.00 O ATOM 625 CB ASN A 37 -15.559 -0.776 7.181 1.00 0.00 C ATOM 626 CG ASN A 37 -16.683 0.078 6.593 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.157 1.028 7.196 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.083 -0.310 5.385 1.00 0.00 N ATOM 0 H ASN A 37 -13.532 -0.482 5.775 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.700 1.130 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.231 -1.509 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.932 -1.333 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.829 0.196 4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.644 -1.114 4.936 1.00 0.00 H new ATOM 635 N LYS A 38 -13.104 -1.524 8.862 1.00 0.00 N ATOM 636 CA LYS A 38 -12.543 -2.138 10.054 1.00 0.00 C ATOM 637 C LYS A 38 -11.628 -1.133 10.757 1.00 0.00 C ATOM 638 O LYS A 38 -11.771 -0.889 11.954 1.00 0.00 O ATOM 639 CB LYS A 38 -11.854 -3.458 9.704 1.00 0.00 C ATOM 640 CG LYS A 38 -11.939 -4.447 10.868 1.00 0.00 C ATOM 641 CD LYS A 38 -12.128 -5.877 10.359 1.00 0.00 C ATOM 642 CE LYS A 38 -12.727 -6.772 11.446 1.00 0.00 C ATOM 643 NZ LYS A 38 -11.785 -6.911 12.579 1.00 0.00 N ATOM 0 H LYS A 38 -12.871 -1.997 7.989 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.334 -2.396 10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.320 -3.892 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.809 -3.272 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.031 -4.388 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.770 -4.176 11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.781 -5.873 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.168 -6.282 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.668 -6.348 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.955 -7.754 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.169 -7.588 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.869 -7.257 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.654 -5.987 13.037 1.00 0.00 H new ATOM 657 N LEU A 39 -10.707 -0.578 9.982 1.00 0.00 N ATOM 658 CA LEU A 39 -9.768 0.395 10.515 1.00 0.00 C ATOM 659 C LEU A 39 -10.543 1.573 11.110 1.00 0.00 C ATOM 660 O LEU A 39 -10.346 1.927 12.271 1.00 0.00 O ATOM 661 CB LEU A 39 -8.755 0.803 9.444 1.00 0.00 C ATOM 662 CG LEU A 39 -7.280 0.646 9.822 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.758 -0.737 9.428 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.436 1.770 9.217 1.00 0.00 C ATOM 0 H LEU A 39 -10.591 -0.784 8.990 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.183 -0.043 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.945 0.212 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.933 1.846 9.182 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.195 0.727 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.708 -0.823 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.335 -1.504 9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.859 -0.871 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.392 1.635 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.523 1.746 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.791 2.732 9.588 1.00 0.00 H new ATOM 676 N ALA A 40 -11.408 2.146 10.287 1.00 0.00 N ATOM 677 CA ALA A 40 -12.214 3.277 10.716 1.00 0.00 C ATOM 678 C ALA A 40 -12.869 2.949 12.059 1.00 0.00 C ATOM 679 O ALA A 40 -12.998 3.818 12.920 1.00 0.00 O ATOM 680 CB ALA A 40 -13.241 3.613 9.633 1.00 0.00 C ATOM 0 H ALA A 40 -11.569 1.848 9.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.591 4.160 10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.845 4.461 9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.724 3.866 8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.887 2.751 9.464 1.00 0.00 H new ATOM 686 N ALA A 41 -13.267 1.692 12.197 1.00 0.00 N ATOM 687 CA ALA A 41 -13.906 1.239 13.420 1.00 0.00 C ATOM 688 C ALA A 41 -12.848 1.081 14.515 1.00 0.00 C ATOM 689 O ALA A 41 -13.101 1.393 15.677 1.00 0.00 O ATOM 690 CB ALA A 41 -14.663 -0.063 13.149 1.00 0.00 C ATOM 0 H ALA A 41 -13.159 0.973 11.481 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.633 1.973 13.767 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.143 -0.403 14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.422 0.109 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.965 -0.824 12.801 1.00 0.00 H new ATOM 696 N MET A 42 -11.685 0.597 14.104 1.00 0.00 N ATOM 697 CA MET A 42 -10.588 0.394 15.035 1.00 0.00 C ATOM 698 C MET A 42 -10.062 1.731 15.562 1.00 0.00 C ATOM 699 O MET A 42 -9.874 1.896 16.766 1.00 0.00 O ATOM 700 CB MET A 42 -9.456 -0.360 14.334 1.00 0.00 C ATOM 701 CG MET A 42 -9.687 -1.871 14.390 1.00 0.00 C ATOM 702 SD MET A 42 -8.283 -2.675 15.145 1.00 0.00 S ATOM 703 CE MET A 42 -7.307 -3.023 13.692 1.00 0.00 C ATOM 0 H MET A 42 -11.479 0.340 13.139 1.00 0.00 H new ATOM 0 HA MET A 42 -10.956 -0.189 15.880 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.388 -0.037 13.295 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.505 -0.116 14.807 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.591 -2.088 14.959 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.843 -2.261 13.384 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.521 -3.736 13.943 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.946 -3.446 12.917 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.856 -2.100 13.327 1.00 0.00 H new ATOM 713 N LEU A 43 -9.840 2.650 14.634 1.00 0.00 N ATOM 714 CA LEU A 43 -9.340 3.967 14.991 1.00 0.00 C ATOM 715 C LEU A 43 -10.521 4.906 15.241 1.00 0.00 C ATOM 716 O LEU A 43 -10.332 6.101 15.462 1.00 0.00 O ATOM 717 CB LEU A 43 -8.365 4.475 13.927 1.00 0.00 C ATOM 718 CG LEU A 43 -7.738 3.408 13.027 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.573 3.986 12.221 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.320 2.182 13.840 1.00 0.00 C ATOM 0 H LEU A 43 -9.997 2.509 13.636 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.769 3.920 15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.889 5.192 13.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.563 5.017 14.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.492 3.078 12.312 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.145 3.207 11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.933 4.803 11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.809 4.361 12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.877 1.439 13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.589 2.477 14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.195 1.755 14.330 1.00 0.00 H new ATOM 732 N ASN A 44 -11.713 4.330 15.199 1.00 0.00 N ATOM 733 CA ASN A 44 -12.925 5.101 15.419 1.00 0.00 C ATOM 734 C ASN A 44 -12.821 6.431 14.671 1.00 0.00 C ATOM 735 O ASN A 44 -13.276 7.462 15.164 1.00 0.00 O ATOM 736 CB ASN A 44 -13.121 5.408 16.905 1.00 0.00 C ATOM 737 CG ASN A 44 -12.875 4.162 17.759 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.788 3.445 18.134 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.594 3.946 18.044 1.00 0.00 N ATOM 0 H ASN A 44 -11.866 3.338 15.016 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.769 4.513 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.439 6.202 17.209 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.133 5.775 17.074 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.326 3.140 18.609 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.880 4.586 17.698 1.00 0.00 H new ATOM 746 N ALA A 45 -12.219 6.366 13.492 1.00 0.00 N ATOM 747 CA ALA A 45 -12.049 7.553 12.672 1.00 0.00 C ATOM 748 C ALA A 45 -13.020 7.494 11.491 1.00 0.00 C ATOM 749 O ALA A 45 -13.597 6.445 11.208 1.00 0.00 O ATOM 750 CB ALA A 45 -10.590 7.658 12.222 1.00 0.00 C ATOM 0 H ALA A 45 -11.843 5.509 13.085 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.279 8.452 13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.462 8.549 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.943 7.726 13.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.324 6.775 11.641 1.00 0.00 H new ATOM 756 N PRO A 46 -13.176 8.665 10.816 1.00 0.00 N ATOM 757 CA PRO A 46 -14.067 8.757 9.673 1.00 0.00 C ATOM 758 C PRO A 46 -13.451 8.089 8.442 1.00 0.00 C ATOM 759 O PRO A 46 -12.376 8.482 7.991 1.00 0.00 O ATOM 760 CB PRO A 46 -14.310 10.245 9.482 1.00 0.00 C ATOM 761 CG PRO A 46 -13.187 10.950 10.226 1.00 0.00 C ATOM 762 CD PRO A 46 -12.509 9.927 11.123 1.00 0.00 C ATOM 0 HA PRO A 46 -15.008 8.230 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.304 10.509 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.283 10.536 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.471 11.375 9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.581 11.776 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.440 9.869 10.920 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.620 10.188 12.175 1.00 0.00 H new ATOM 770 N LEU A 47 -14.158 7.092 7.933 1.00 0.00 N ATOM 771 CA LEU A 47 -13.694 6.366 6.763 1.00 0.00 C ATOM 772 C LEU A 47 -13.237 7.364 5.697 1.00 0.00 C ATOM 773 O LEU A 47 -12.137 7.243 5.160 1.00 0.00 O ATOM 774 CB LEU A 47 -14.770 5.394 6.274 1.00 0.00 C ATOM 775 CG LEU A 47 -14.283 4.245 5.387 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.259 2.927 6.163 1.00 0.00 C ATOM 777 CD2 LEU A 47 -15.121 4.145 4.111 1.00 0.00 C ATOM 0 H LEU A 47 -15.049 6.769 8.309 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.831 5.750 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.270 4.968 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.520 5.961 5.722 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.258 4.458 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.910 2.127 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.587 3.019 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.264 2.694 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.754 3.321 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.164 3.966 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.043 5.077 3.550 1.00 0.00 H new ATOM 789 N GLU A 48 -14.105 8.327 5.423 1.00 0.00 N ATOM 790 CA GLU A 48 -13.804 9.345 4.431 1.00 0.00 C ATOM 791 C GLU A 48 -12.369 9.848 4.605 1.00 0.00 C ATOM 792 O GLU A 48 -11.581 9.826 3.660 1.00 0.00 O ATOM 793 CB GLU A 48 -14.803 10.501 4.511 1.00 0.00 C ATOM 794 CG GLU A 48 -14.268 11.739 3.789 1.00 0.00 C ATOM 795 CD GLU A 48 -15.367 12.408 2.960 1.00 0.00 C ATOM 796 OE1 GLU A 48 -15.835 11.753 2.003 1.00 0.00 O ATOM 797 OE2 GLU A 48 -15.715 13.559 3.302 1.00 0.00 O ATOM 0 H GLU A 48 -15.016 8.424 5.871 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.894 8.898 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.751 10.198 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.002 10.742 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.875 12.448 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.439 11.456 3.140 1.00 0.00 H new ATOM 804 N LEU A 49 -12.073 10.289 5.818 1.00 0.00 N ATOM 805 CA LEU A 49 -10.747 10.796 6.128 1.00 0.00 C ATOM 806 C LEU A 49 -9.729 9.661 5.999 1.00 0.00 C ATOM 807 O LEU A 49 -8.550 9.906 5.745 1.00 0.00 O ATOM 808 CB LEU A 49 -10.740 11.476 7.498 1.00 0.00 C ATOM 809 CG LEU A 49 -11.595 12.738 7.626 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.376 13.415 8.980 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.339 13.694 6.459 1.00 0.00 C ATOM 0 H LEU A 49 -12.729 10.306 6.599 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.457 11.567 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.080 10.754 8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.711 11.732 7.749 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.644 12.446 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.996 14.309 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.649 12.726 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.327 13.693 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.959 14.583 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.288 13.983 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.587 13.198 5.521 1.00 0.00 H new ATOM 823 N LEU A 50 -10.221 8.444 6.179 1.00 0.00 N ATOM 824 CA LEU A 50 -9.369 7.271 6.086 1.00 0.00 C ATOM 825 C LEU A 50 -9.205 6.880 4.616 1.00 0.00 C ATOM 826 O LEU A 50 -10.175 6.874 3.860 1.00 0.00 O ATOM 827 CB LEU A 50 -9.912 6.143 6.965 1.00 0.00 C ATOM 828 CG LEU A 50 -8.875 5.370 7.782 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.851 5.853 9.234 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.111 3.862 7.683 1.00 0.00 C ATOM 0 H LEU A 50 -11.199 8.245 6.389 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.373 7.492 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.645 6.566 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.443 5.436 6.328 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.890 5.569 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.106 5.288 9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.598 6.913 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.833 5.703 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.360 3.337 8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.104 3.623 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.038 3.550 6.641 1.00 0.00 H new ATOM 842 N VAL A 51 -7.970 6.565 4.255 1.00 0.00 N ATOM 843 CA VAL A 51 -7.666 6.174 2.889 1.00 0.00 C ATOM 844 C VAL A 51 -6.676 5.008 2.904 1.00 0.00 C ATOM 845 O VAL A 51 -5.973 4.799 3.892 1.00 0.00 O ATOM 846 CB VAL A 51 -7.156 7.381 2.100 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.354 7.178 0.596 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.831 8.670 2.572 1.00 0.00 C ATOM 0 H VAL A 51 -7.168 6.573 4.885 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.567 5.828 2.382 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.086 7.475 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.983 8.051 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.806 6.293 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.415 7.045 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.450 9.513 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.909 8.590 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.616 8.828 3.629 1.00 0.00 H new ATOM 858 N ILE A 52 -6.651 4.279 1.798 1.00 0.00 N ATOM 859 CA ILE A 52 -5.759 3.139 1.673 1.00 0.00 C ATOM 860 C ILE A 52 -4.785 3.385 0.518 1.00 0.00 C ATOM 861 O ILE A 52 -5.204 3.683 -0.599 1.00 0.00 O ATOM 862 CB ILE A 52 -6.560 1.843 1.536 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.604 1.724 2.648 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.632 0.627 1.488 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.943 1.388 3.987 1.00 0.00 C ATOM 0 H ILE A 52 -7.234 4.456 0.980 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.161 3.022 2.577 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.100 1.873 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.156 2.660 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.328 0.950 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.227 -0.281 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.961 0.715 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.046 0.580 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.707 1.309 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.412 0.440 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.238 2.176 4.253 1.00 0.00 H new ATOM 877 N GLN A 53 -3.504 3.250 0.828 1.00 0.00 N ATOM 878 CA GLN A 53 -2.467 3.454 -0.169 1.00 0.00 C ATOM 879 C GLN A 53 -2.504 2.332 -1.210 1.00 0.00 C ATOM 880 O GLN A 53 -2.689 2.589 -2.398 1.00 0.00 O ATOM 881 CB GLN A 53 -1.087 3.550 0.485 1.00 0.00 C ATOM 882 CG GLN A 53 0.009 3.717 -0.569 1.00 0.00 C ATOM 883 CD GLN A 53 1.281 4.300 0.051 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.519 5.496 0.033 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.081 3.390 0.599 1.00 0.00 N ATOM 0 H GLN A 53 -3.161 3.002 1.756 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.658 4.400 -0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.065 4.394 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.897 2.653 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.231 2.752 -1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.344 4.371 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.821 2.404 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.955 3.678 1.039 1.00 0.00 H new ATOM 894 N ARG A 54 -2.324 1.112 -0.724 1.00 0.00 N ATOM 895 CA ARG A 54 -2.334 -0.049 -1.597 1.00 0.00 C ATOM 896 C ARG A 54 -2.203 -1.333 -0.774 1.00 0.00 C ATOM 897 O ARG A 54 -1.248 -1.494 -0.017 1.00 0.00 O ATOM 898 CB ARG A 54 -1.193 0.015 -2.614 1.00 0.00 C ATOM 899 CG ARG A 54 -1.602 -0.628 -3.940 1.00 0.00 C ATOM 900 CD ARG A 54 -1.078 0.182 -5.127 1.00 0.00 C ATOM 901 NE ARG A 54 -1.959 -0.013 -6.301 1.00 0.00 N ATOM 902 CZ ARG A 54 -1.833 0.657 -7.454 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.863 1.571 -7.595 1.00 0.00 N ATOM 904 NH2 ARG A 54 -2.678 0.415 -8.466 1.00 0.00 N ATOM 0 H ARG A 54 -2.171 0.903 0.262 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.283 -0.052 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.909 1.054 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.316 -0.494 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.214 -1.645 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.688 -0.698 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.035 1.239 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.061 -0.128 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.709 -0.701 -6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.221 1.756 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.767 2.081 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.417 -0.279 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.582 0.925 -9.344 1.00 0.00 H new ATOM 918 N ILE A 55 -3.178 -2.213 -0.951 1.00 0.00 N ATOM 919 CA ILE A 55 -3.183 -3.477 -0.234 1.00 0.00 C ATOM 920 C ILE A 55 -2.321 -4.490 -0.989 1.00 0.00 C ATOM 921 O ILE A 55 -2.310 -4.506 -2.219 1.00 0.00 O ATOM 922 CB ILE A 55 -4.618 -3.949 0.008 1.00 0.00 C ATOM 923 CG1 ILE A 55 -5.229 -3.247 1.222 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.680 -5.473 0.136 1.00 0.00 C ATOM 925 CD1 ILE A 55 -4.907 -4.003 2.513 1.00 0.00 C ATOM 0 H ILE A 55 -3.969 -2.076 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.740 -3.356 0.755 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.219 -3.674 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.847 -2.228 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.310 -3.174 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.711 -5.782 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.312 -5.931 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.061 -5.793 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.353 -3.482 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.312 -5.013 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.826 -4.052 2.646 1.00 0.00 H new ATOM 937 N LYS A 56 -1.620 -5.312 -0.222 1.00 0.00 N ATOM 938 CA LYS A 56 -0.758 -6.326 -0.803 1.00 0.00 C ATOM 939 C LYS A 56 -1.131 -7.695 -0.232 1.00 0.00 C ATOM 940 O LYS A 56 -0.904 -7.963 0.947 1.00 0.00 O ATOM 941 CB LYS A 56 0.714 -5.957 -0.603 1.00 0.00 C ATOM 942 CG LYS A 56 1.172 -4.942 -1.652 1.00 0.00 C ATOM 943 CD LYS A 56 1.778 -3.703 -0.989 1.00 0.00 C ATOM 944 CE LYS A 56 2.864 -3.085 -1.872 1.00 0.00 C ATOM 945 NZ LYS A 56 2.782 -1.608 -1.837 1.00 0.00 N ATOM 0 H LYS A 56 -1.632 -5.296 0.798 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.906 -6.379 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.856 -5.543 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.330 -6.854 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.908 -5.402 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.326 -4.649 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.996 -2.968 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.201 -3.974 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.847 -3.409 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.751 -3.437 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.526 -1.205 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.850 -1.304 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.912 -1.276 -0.860 1.00 0.00 H new ATOM 959 N THR A 57 -1.697 -8.526 -1.095 1.00 0.00 N ATOM 960 CA THR A 57 -2.104 -9.862 -0.692 1.00 0.00 C ATOM 961 C THR A 57 -0.955 -10.852 -0.889 1.00 0.00 C ATOM 962 O THR A 57 -0.245 -10.793 -1.892 1.00 0.00 O ATOM 963 CB THR A 57 -3.365 -10.229 -1.477 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.243 -9.129 -1.259 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.105 -11.423 -0.871 1.00 0.00 C ATOM 0 H THR A 57 -1.883 -8.300 -2.072 1.00 0.00 H new ATOM 0 HA THR A 57 -2.343 -9.899 0.371 1.00 0.00 H new ATOM 0 HB THR A 57 -3.097 -10.454 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.086 -9.284 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.992 -11.642 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.448 -12.293 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.403 -11.186 0.150 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.524 -13.717 4.280 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.359 -12.437 4.949 1.00 0.00 C ATOM 1052 C GLU A 63 -2.266 -11.309 3.920 1.00 0.00 C ATOM 1053 O GLU A 63 -1.645 -11.471 2.870 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.131 -12.450 5.861 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.886 -11.067 6.470 1.00 0.00 C ATOM 1056 CD GLU A 63 0.300 -10.374 5.796 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.439 -10.647 6.233 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.041 -9.588 4.860 1.00 0.00 O ATOM 0 HA GLU A 63 -3.234 -12.260 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.272 -13.182 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.255 -12.762 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.780 -10.454 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.695 -11.165 7.539 1.00 0.00 H new ATOM 1065 N SER A 64 -2.892 -10.191 4.256 1.00 0.00 N ATOM 1066 CA SER A 64 -2.888 -9.036 3.375 1.00 0.00 C ATOM 1067 C SER A 64 -2.580 -7.768 4.174 1.00 0.00 C ATOM 1068 O SER A 64 -3.188 -7.524 5.216 1.00 0.00 O ATOM 1069 CB SER A 64 -4.226 -8.893 2.647 1.00 0.00 C ATOM 1070 OG SER A 64 -4.574 -10.075 1.931 1.00 0.00 O ATOM 0 H SER A 64 -3.406 -10.060 5.127 1.00 0.00 H new ATOM 0 HA SER A 64 -2.111 -9.182 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.009 -8.663 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.174 -8.052 1.955 1.00 0.00 H new ATOM 0 HG SER A 64 -5.544 -10.210 1.974 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.637 -6.995 3.657 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.242 -5.758 4.309 1.00 0.00 C ATOM 1078 C LYS A 65 -1.594 -4.575 3.406 1.00 0.00 C ATOM 1079 O LYS A 65 -1.630 -4.710 2.184 1.00 0.00 O ATOM 1080 CB LYS A 65 0.235 -5.811 4.706 1.00 0.00 C ATOM 1081 CG LYS A 65 1.112 -5.143 3.645 1.00 0.00 C ATOM 1082 CD LYS A 65 2.579 -5.122 4.080 1.00 0.00 C ATOM 1083 CE LYS A 65 3.104 -3.688 4.165 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.428 -3.174 2.815 1.00 0.00 N ATOM 0 H LYS A 65 -1.135 -7.201 2.794 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.794 -5.624 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.376 -5.313 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.543 -6.848 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.017 -5.678 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.766 -4.124 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.682 -5.609 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.180 -5.692 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.357 -3.048 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.993 -3.656 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.783 -2.199 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.157 -3.775 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.572 -3.186 2.224 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.846 -3.440 4.043 1.00 0.00 N ATOM 1099 CA GLY A 66 -2.194 -2.233 3.312 1.00 0.00 C ATOM 1100 C GLY A 66 -2.014 -0.991 4.188 1.00 0.00 C ATOM 1101 O GLY A 66 -2.562 -0.918 5.287 1.00 0.00 O ATOM 0 H GLY A 66 -1.816 -3.331 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.569 -2.149 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.227 -2.295 2.971 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.245 -0.046 3.667 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.986 1.189 4.387 1.00 0.00 C ATOM 1107 C TYR A 67 -2.140 2.178 4.212 1.00 0.00 C ATOM 1108 O TYR A 67 -2.464 2.567 3.091 1.00 0.00 O ATOM 1109 CB TYR A 67 0.278 1.783 3.764 1.00 0.00 C ATOM 1110 CG TYR A 67 1.568 1.406 4.495 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.844 0.082 4.770 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.456 2.390 4.880 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.058 -0.273 5.458 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.671 2.035 5.568 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.912 0.721 5.823 1.00 0.00 C ATOM 1116 OH TYR A 67 5.058 0.386 6.473 1.00 0.00 O ATOM 0 H TYR A 67 -0.793 -0.111 2.755 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.875 0.995 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.350 1.453 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.186 2.869 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.149 -0.688 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.240 3.426 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.286 -1.305 5.679 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.374 2.795 5.874 1.00 0.00 H new ATOM 0 HH TYR A 67 4.990 0.652 7.414 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.729 2.557 5.337 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.840 3.493 5.321 1.00 0.00 C ATOM 1128 C ALA A 68 -3.341 4.877 5.743 1.00 0.00 C ATOM 1129 O ALA A 68 -2.342 4.991 6.451 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.957 2.975 6.229 1.00 0.00 C ATOM 0 H ALA A 68 -2.458 2.233 6.265 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.252 3.583 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.791 3.677 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.296 2.003 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.581 2.875 7.247 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.061 5.893 5.291 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.703 7.264 5.612 1.00 0.00 C ATOM 1138 C LYS A 69 -4.865 7.929 6.353 1.00 0.00 C ATOM 1139 O LYS A 69 -5.929 8.150 5.776 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.269 8.014 4.352 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.963 7.442 3.796 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.784 7.816 2.323 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.387 6.747 1.409 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.414 7.341 0.525 1.00 0.00 N ATOM 0 H LYS A 69 -4.890 5.794 4.705 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.842 7.286 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.051 7.945 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.139 9.072 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.121 7.819 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.963 6.357 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.260 8.777 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.724 7.934 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.602 6.289 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.831 5.954 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.813 6.602 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.171 7.757 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.980 8.082 -0.062 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.623 8.228 7.621 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.635 8.863 8.447 1.00 0.00 C ATOM 1160 C LEU A 70 -5.393 10.374 8.472 1.00 0.00 C ATOM 1161 O LEU A 70 -4.304 10.826 8.821 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.672 8.223 9.836 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.445 8.993 10.909 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.826 9.408 10.398 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.533 8.186 12.206 1.00 0.00 C ATOM 0 H LEU A 70 -3.740 8.042 8.096 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.627 8.706 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.109 7.229 9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.646 8.090 10.180 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.897 9.908 11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.354 9.953 11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.713 10.047 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.396 8.519 10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.087 8.756 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.046 7.244 12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.528 7.983 12.577 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.428 11.113 8.098 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.341 12.563 8.074 1.00 0.00 C ATOM 1179 C TYR A 71 -7.215 13.183 9.166 1.00 0.00 C ATOM 1180 O TYR A 71 -8.151 12.550 9.651 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.874 12.994 6.706 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.956 12.629 5.537 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.832 11.312 5.143 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.252 13.616 4.878 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.968 10.968 4.043 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.389 13.272 3.778 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.289 11.965 3.415 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.473 11.640 2.376 1.00 0.00 O ATOM 0 H TYR A 71 -7.330 10.735 7.809 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.315 12.889 8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.849 12.534 6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.027 14.073 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.383 10.540 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.348 14.646 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.862 9.942 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.833 14.035 3.253 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.054 12.452 2.023 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.877 14.414 9.521 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.619 15.127 10.548 1.00 0.00 C ATOM 1200 C GLU A 72 -8.809 15.862 9.928 1.00 0.00 C ATOM 1201 O GLU A 72 -9.836 16.048 10.579 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.711 16.095 11.308 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.030 15.398 12.487 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.625 16.409 13.562 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.503 17.212 13.945 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -4.447 16.355 13.976 1.00 0.00 O ATOM 0 H GLU A 72 -6.100 14.936 9.116 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.000 14.400 11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.955 16.496 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.297 16.940 11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.705 14.657 12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.148 14.861 12.137 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.631 16.261 8.677 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.678 16.972 7.963 1.00 0.00 C ATOM 1215 C ASP A 73 -9.664 16.549 6.493 1.00 0.00 C ATOM 1216 O ASP A 73 -8.666 16.020 6.005 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.455 18.485 8.021 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.075 19.183 9.233 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -9.475 19.068 10.323 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -11.135 19.817 9.042 1.00 0.00 O ATOM 0 H ASP A 73 -7.778 16.106 8.140 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.631 16.729 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.383 18.680 8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.863 18.932 7.115 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.782 16.798 5.827 1.00 0.00 N ATOM 1226 CA ALA A 74 -10.911 16.449 4.423 1.00 0.00 C ATOM 1227 C ALA A 74 -10.272 17.547 3.569 1.00 0.00 C ATOM 1228 O ALA A 74 -9.600 17.257 2.580 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.387 16.231 4.084 1.00 0.00 C ATOM 0 H ALA A 74 -11.607 17.238 6.234 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.387 15.517 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.483 15.969 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.785 15.422 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.945 17.146 4.283 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.505 18.784 3.982 1.00 0.00 N ATOM 1236 CA ASP A 75 -9.961 19.926 3.267 1.00 0.00 C ATOM 1237 C ASP A 75 -8.463 19.712 3.037 1.00 0.00 C ATOM 1238 O ASP A 75 -7.962 19.937 1.936 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.136 21.215 4.072 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.450 22.460 3.241 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.453 22.326 1.998 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.678 23.517 3.867 1.00 0.00 O ATOM 0 H ASP A 75 -11.063 19.021 4.802 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.495 20.017 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.938 21.068 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.224 21.397 4.641 1.00 0.00 H new ATOM 1247 N ARG A 76 -7.791 19.280 4.093 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.361 19.033 4.020 1.00 0.00 C ATOM 1249 C ARG A 76 -6.062 17.940 2.992 1.00 0.00 C ATOM 1250 O ARG A 76 -5.217 18.120 2.117 1.00 0.00 O ATOM 1251 CB ARG A 76 -5.805 18.608 5.381 1.00 0.00 C ATOM 1252 CG ARG A 76 -4.927 19.708 5.982 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.691 19.957 5.116 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.664 20.683 5.897 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.357 20.683 5.602 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -0.909 19.995 4.543 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.497 21.370 6.367 1.00 0.00 N ATOM 0 H ARG A 76 -8.210 19.095 5.004 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.880 19.963 3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.628 18.383 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.223 17.693 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.503 20.629 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.619 19.424 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.287 19.008 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.965 20.536 4.234 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.971 21.217 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.563 19.471 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.086 19.995 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.838 21.893 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.498 21.370 6.142 1.00 0.00 H new ATOM 1271 N MET A 77 -6.773 16.831 3.131 1.00 0.00 N ATOM 1272 CA MET A 77 -6.595 15.709 2.225 1.00 0.00 C ATOM 1273 C MET A 77 -6.675 16.164 0.766 1.00 0.00 C ATOM 1274 O MET A 77 -5.969 15.636 -0.092 1.00 0.00 O ATOM 1275 CB MET A 77 -7.677 14.660 2.492 1.00 0.00 C ATOM 1276 CG MET A 77 -7.746 13.641 1.353 1.00 0.00 C ATOM 1277 SD MET A 77 -8.429 12.104 1.949 1.00 0.00 S ATOM 1278 CE MET A 77 -10.151 12.557 2.071 1.00 0.00 C ATOM 0 H MET A 77 -7.474 16.685 3.858 1.00 0.00 H new ATOM 0 HA MET A 77 -5.608 15.279 2.399 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.468 14.148 3.431 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.644 15.150 2.605 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.361 14.031 0.542 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.750 13.472 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.503 12.377 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.267 13.613 1.828 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.735 11.958 1.373 1.00 0.00 H new