USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HE2:sc= 0.805 K(o=3.3,f=-9.9!) USER MOD Set 1.2: A 35 HIS : +bothHN:sc= 2.3 K(o=3.3,f=-9.6!) USER MOD Set 1.3: A 113 CYS SG : rot 82:sc= 0.226 USER MOD Set 2.1: A 109 THR OG1 : rot 128:sc= 0.519 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.94 K(o=1.5,f=-0.71!) USER MOD Set 3.1: A 89 CYS SG : rot 180:sc= 0.0512 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.0153 USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0.796 USER MOD Set 4.2: A 61 LYS NZ :NH3+ -172:sc= 2.05 (180deg=1.16) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.018 (180deg=-0.018) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.998 (180deg=0.466) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 30:sc= 0.393 USER MOD Single : A 27 TYR OH : rot -5:sc= 1.27 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 2.37 (180deg=2.29) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.29) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -97:sc= 0.708 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 1.47 (180deg=0.423) USER MOD Single : A 74 TYR OH : rot 22:sc= 1.21 USER MOD Single : A 75 GLN : amide:sc= 1.2 K(o=1.2,f=-0.37) USER MOD Single : A 77 ASN : amide:sc= 1.12 K(o=1.1,f=-1.9) USER MOD Single : A 78 ASN : amide:sc= 2.02 K(o=2,f=-6.7!) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.18) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.501 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.11) USER MOD Single : A 102 GLN : amide:sc= 0.407 X(o=0.41,f=-0.087) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.997) USER MOD Single : A 110 SER OG : rot -59:sc= 1.25 USER MOD Single : A 115 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.29) USER MOD Single : A 118 ASN : amide:sc= 0.965 K(o=0.96,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.985 2.292 4.386 1.00 0.00 N ATOM 2 CA MET A 1 7.824 1.103 4.113 1.00 0.00 C ATOM 3 C MET A 1 8.996 1.468 3.195 1.00 0.00 C ATOM 4 O MET A 1 8.893 2.371 2.359 1.00 0.00 O ATOM 5 CB MET A 1 6.977 -0.067 3.562 1.00 0.00 C ATOM 6 CG MET A 1 7.750 -1.393 3.543 1.00 0.00 C ATOM 7 SD MET A 1 6.767 -2.840 3.073 1.00 0.00 S ATOM 8 CE MET A 1 8.054 -4.108 3.240 1.00 0.00 C ATOM 0 H1 MET A 1 6.511 2.179 5.305 1.00 0.00 H new ATOM 0 H2 MET A 1 7.584 3.142 4.408 1.00 0.00 H new ATOM 0 H3 MET A 1 6.270 2.392 3.637 1.00 0.00 H new ATOM 0 HA MET A 1 8.251 0.756 5.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.081 -0.181 4.172 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.647 0.172 2.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.587 -1.299 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.173 -1.565 4.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.638 -5.084 2.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.879 -3.881 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.420 -4.122 4.267 1.00 0.00 H new ATOM 20 N ARG A 2 10.128 0.773 3.357 1.00 0.00 N ATOM 21 CA ARG A 2 11.365 0.945 2.590 1.00 0.00 C ATOM 22 C ARG A 2 11.985 -0.456 2.424 1.00 0.00 C ATOM 23 O ARG A 2 11.373 -1.435 2.850 1.00 0.00 O ATOM 24 CB ARG A 2 12.242 1.973 3.344 1.00 0.00 C ATOM 25 CG ARG A 2 13.435 2.532 2.546 1.00 0.00 C ATOM 26 CD ARG A 2 14.050 3.771 3.215 1.00 0.00 C ATOM 27 NE ARG A 2 14.552 3.499 4.577 1.00 0.00 N ATOM 28 CZ ARG A 2 15.772 3.052 4.906 1.00 0.00 C ATOM 29 NH1 ARG A 2 16.661 2.739 3.966 1.00 0.00 N ATOM 30 NH2 ARG A 2 16.096 2.916 6.188 1.00 0.00 N ATOM 0 H ARG A 2 10.209 0.040 4.061 1.00 0.00 H new ATOM 0 HA ARG A 2 11.226 1.347 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.611 2.806 3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.621 1.505 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.197 1.759 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.108 2.790 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.869 4.142 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.302 4.562 3.260 1.00 0.00 H new ATOM 0 HE ARG A 2 13.904 3.669 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.417 2.838 2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.586 2.400 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.418 3.151 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.022 2.576 6.447 1.00 0.00 H new ATOM 44 N ALA A 3 13.162 -0.575 1.801 1.00 0.00 N ATOM 45 CA ALA A 3 13.852 -1.852 1.605 1.00 0.00 C ATOM 46 C ALA A 3 14.094 -2.687 2.886 1.00 0.00 C ATOM 47 O ALA A 3 13.936 -3.909 2.791 1.00 0.00 O ATOM 48 CB ALA A 3 15.167 -1.620 0.848 1.00 0.00 C ATOM 0 H ALA A 3 13.667 0.222 1.415 1.00 0.00 H new ATOM 0 HA ALA A 3 13.168 -2.462 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.677 -2.573 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.954 -1.172 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.805 -0.950 1.424 1.00 0.00 H new ATOM 54 N PRO A 4 14.494 -2.124 4.051 1.00 0.00 N ATOM 55 CA PRO A 4 14.626 -2.894 5.290 1.00 0.00 C ATOM 56 C PRO A 4 13.241 -3.181 5.906 1.00 0.00 C ATOM 57 O PRO A 4 12.212 -3.073 5.239 1.00 0.00 O ATOM 58 CB PRO A 4 15.549 -2.048 6.180 1.00 0.00 C ATOM 59 CG PRO A 4 15.213 -0.619 5.776 1.00 0.00 C ATOM 60 CD PRO A 4 14.938 -0.751 4.280 1.00 0.00 C ATOM 0 HA PRO A 4 15.057 -3.884 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.357 -2.222 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.600 -2.279 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.346 -0.239 6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.038 0.064 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.175 -0.040 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.836 -0.534 3.701 1.00 0.00 H new ATOM 68 N ILE A 5 13.197 -3.528 7.197 1.00 0.00 N ATOM 69 CA ILE A 5 11.987 -3.946 7.908 1.00 0.00 C ATOM 70 C ILE A 5 11.670 -2.977 9.071 1.00 0.00 C ATOM 71 O ILE A 5 11.728 -3.372 10.236 1.00 0.00 O ATOM 72 CB ILE A 5 12.101 -5.442 8.307 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.424 -5.774 9.044 1.00 0.00 C ATOM 74 CG2 ILE A 5 11.948 -6.320 7.049 1.00 0.00 C ATOM 75 CD1 ILE A 5 13.440 -7.163 9.686 1.00 0.00 C ATOM 0 H ILE A 5 14.026 -3.525 7.791 1.00 0.00 H new ATOM 0 HA ILE A 5 11.118 -3.881 7.253 1.00 0.00 H new ATOM 0 HB ILE A 5 11.298 -5.654 9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.251 -5.701 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.597 -5.025 9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.028 -7.371 7.327 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.974 -6.138 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.734 -6.073 6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.397 -7.323 10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.635 -7.235 10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.299 -7.921 8.916 1.00 0.00 H new ATOM 87 N PRO A 6 11.344 -1.697 8.793 1.00 0.00 N ATOM 88 CA PRO A 6 11.115 -0.700 9.837 1.00 0.00 C ATOM 89 C PRO A 6 9.770 -0.874 10.562 1.00 0.00 C ATOM 90 O PRO A 6 9.616 -0.374 11.677 1.00 0.00 O ATOM 91 CB PRO A 6 11.174 0.648 9.111 1.00 0.00 C ATOM 92 CG PRO A 6 10.647 0.322 7.716 1.00 0.00 C ATOM 93 CD PRO A 6 11.202 -1.081 7.478 1.00 0.00 C ATOM 0 HA PRO A 6 11.862 -0.793 10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.559 1.399 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.190 1.041 9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.558 0.340 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.004 1.032 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.530 -1.663 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.162 -1.037 6.964 1.00 0.00 H new ATOM 101 N GLU A 7 8.797 -1.554 9.943 1.00 0.00 N ATOM 102 CA GLU A 7 7.413 -1.628 10.418 1.00 0.00 C ATOM 103 C GLU A 7 6.665 -2.980 10.279 1.00 0.00 C ATOM 104 O GLU A 7 5.631 -3.102 10.943 1.00 0.00 O ATOM 105 CB GLU A 7 6.603 -0.498 9.748 1.00 0.00 C ATOM 106 CG GLU A 7 6.351 -0.720 8.246 1.00 0.00 C ATOM 107 CD GLU A 7 5.558 0.442 7.623 1.00 0.00 C ATOM 108 OE1 GLU A 7 4.338 0.567 7.884 1.00 0.00 O ATOM 109 OE2 GLU A 7 6.144 1.223 6.840 1.00 0.00 O ATOM 0 H GLU A 7 8.954 -2.077 9.082 1.00 0.00 H new ATOM 0 HA GLU A 7 7.493 -1.515 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.644 -0.400 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.133 0.445 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.305 -0.828 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.804 -1.652 8.103 1.00 0.00 H new ATOM 116 N PRO A 8 7.073 -3.990 9.476 1.00 0.00 N ATOM 117 CA PRO A 8 6.258 -5.194 9.304 1.00 0.00 C ATOM 118 C PRO A 8 6.306 -6.087 10.553 1.00 0.00 C ATOM 119 O PRO A 8 7.227 -5.980 11.371 1.00 0.00 O ATOM 120 CB PRO A 8 6.828 -5.899 8.072 1.00 0.00 C ATOM 121 CG PRO A 8 8.305 -5.531 8.111 1.00 0.00 C ATOM 122 CD PRO A 8 8.288 -4.113 8.682 1.00 0.00 C ATOM 0 HA PRO A 8 5.204 -4.953 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.681 -6.978 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.351 -5.554 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.875 -6.214 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.755 -5.562 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.170 -3.934 9.296 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.302 -3.374 7.881 1.00 0.00 H new ATOM 130 N LYS A 9 5.353 -7.016 10.676 1.00 0.00 N ATOM 131 CA LYS A 9 5.292 -8.001 11.759 1.00 0.00 C ATOM 132 C LYS A 9 4.882 -9.359 11.179 1.00 0.00 C ATOM 133 O LYS A 9 4.044 -9.390 10.273 1.00 0.00 O ATOM 134 CB LYS A 9 4.273 -7.576 12.833 1.00 0.00 C ATOM 135 CG LYS A 9 4.666 -6.286 13.575 1.00 0.00 C ATOM 136 CD LYS A 9 3.645 -5.879 14.652 1.00 0.00 C ATOM 137 CE LYS A 9 3.504 -6.873 15.820 1.00 0.00 C ATOM 138 NZ LYS A 9 4.722 -6.952 16.667 1.00 0.00 N ATOM 0 H LYS A 9 4.586 -7.106 10.010 1.00 0.00 H new ATOM 0 HA LYS A 9 6.275 -8.070 12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.300 -7.434 12.363 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.162 -8.383 13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.642 -6.424 14.041 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.768 -5.475 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.931 -4.907 15.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.670 -5.755 14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.656 -6.579 16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.280 -7.863 15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.567 -7.636 17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.529 -7.260 16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.924 -6.016 17.073 1.00 0.00 H new ATOM 152 N PRO A 10 5.444 -10.482 11.667 1.00 0.00 N ATOM 153 CA PRO A 10 5.004 -11.821 11.295 1.00 0.00 C ATOM 154 C PRO A 10 3.473 -11.942 11.335 1.00 0.00 C ATOM 155 O PRO A 10 2.830 -11.488 12.286 1.00 0.00 O ATOM 156 CB PRO A 10 5.721 -12.768 12.262 1.00 0.00 C ATOM 157 CG PRO A 10 7.021 -12.021 12.568 1.00 0.00 C ATOM 158 CD PRO A 10 6.565 -10.564 12.594 1.00 0.00 C ATOM 0 HA PRO A 10 5.260 -12.071 10.265 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.135 -12.945 13.164 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.911 -13.741 11.809 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.451 -12.329 13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.779 -12.196 11.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.264 -10.266 13.599 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.372 -9.896 12.292 1.00 0.00 H new ATOM 166 N GLY A 11 2.898 -12.524 10.283 1.00 0.00 N ATOM 167 CA GLY A 11 1.473 -12.552 9.993 1.00 0.00 C ATOM 168 C GLY A 11 1.160 -11.723 8.740 1.00 0.00 C ATOM 169 O GLY A 11 0.164 -11.988 8.067 1.00 0.00 O ATOM 0 H GLY A 11 3.447 -13.013 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.147 -13.581 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.916 -12.160 10.844 1.00 0.00 H new ATOM 173 N ASP A 12 1.999 -10.733 8.411 1.00 0.00 N ATOM 174 CA ASP A 12 1.796 -9.854 7.258 1.00 0.00 C ATOM 175 C ASP A 12 1.904 -10.634 5.947 1.00 0.00 C ATOM 176 O ASP A 12 2.831 -11.434 5.773 1.00 0.00 O ATOM 177 CB ASP A 12 2.844 -8.722 7.226 1.00 0.00 C ATOM 178 CG ASP A 12 2.535 -7.530 8.147 1.00 0.00 C ATOM 179 OD1 ASP A 12 1.346 -7.261 8.432 1.00 0.00 O ATOM 180 OD2 ASP A 12 3.489 -6.823 8.540 1.00 0.00 O ATOM 0 H ASP A 12 2.843 -10.520 8.943 1.00 0.00 H new ATOM 0 HA ASP A 12 0.797 -9.430 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.813 -9.136 7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.934 -8.358 6.202 1.00 0.00 H new ATOM 185 N LEU A 13 0.988 -10.366 5.007 1.00 0.00 N ATOM 186 CA LEU A 13 1.125 -10.817 3.627 1.00 0.00 C ATOM 187 C LEU A 13 2.256 -10.006 3.012 1.00 0.00 C ATOM 188 O LEU A 13 2.323 -8.787 3.197 1.00 0.00 O ATOM 189 CB LEU A 13 -0.113 -10.547 2.749 1.00 0.00 C ATOM 190 CG LEU A 13 -1.443 -11.242 3.068 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.344 -11.253 1.829 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.250 -12.669 3.582 1.00 0.00 C ATOM 0 H LEU A 13 0.137 -9.833 5.186 1.00 0.00 H new ATOM 0 HA LEU A 13 1.288 -11.894 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.296 -9.473 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.152 -10.808 1.725 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.918 -10.671 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.285 -11.749 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.543 -10.228 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.846 -11.790 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.222 -13.115 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.735 -13.262 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.655 -12.650 4.495 1.00 0.00 H new ATOM 204 N ILE A 14 3.067 -10.663 2.194 1.00 0.00 N ATOM 205 CA ILE A 14 4.157 -10.057 1.461 1.00 0.00 C ATOM 206 C ILE A 14 3.890 -10.342 -0.011 1.00 0.00 C ATOM 207 O ILE A 14 3.650 -11.489 -0.394 1.00 0.00 O ATOM 208 CB ILE A 14 5.502 -10.662 1.928 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.763 -10.510 3.443 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.666 -10.074 1.115 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.892 -9.064 3.940 1.00 0.00 C ATOM 0 H ILE A 14 2.977 -11.664 2.021 1.00 0.00 H new ATOM 0 HA ILE A 14 4.221 -8.982 1.631 1.00 0.00 H new ATOM 0 HB ILE A 14 5.432 -11.734 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.951 -10.993 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.678 -11.047 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.605 -10.510 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.523 -10.301 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.697 -8.993 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.074 -9.064 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.724 -8.577 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.970 -8.523 3.728 1.00 0.00 H new ATOM 223 N GLU A 15 3.948 -9.305 -0.835 1.00 0.00 N ATOM 224 CA GLU A 15 3.998 -9.462 -2.274 1.00 0.00 C ATOM 225 C GLU A 15 5.446 -9.184 -2.663 1.00 0.00 C ATOM 226 O GLU A 15 6.154 -8.421 -2.007 1.00 0.00 O ATOM 227 CB GLU A 15 2.991 -8.559 -2.997 1.00 0.00 C ATOM 228 CG GLU A 15 3.319 -7.066 -2.905 1.00 0.00 C ATOM 229 CD GLU A 15 2.390 -6.213 -3.781 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.149 -6.315 -3.658 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.915 -5.405 -4.577 1.00 0.00 O ATOM 0 H GLU A 15 3.961 -8.335 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 15 3.703 -10.466 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.948 -8.847 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.999 -8.730 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.237 -6.741 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.353 -6.903 -3.209 1.00 0.00 H new ATOM 238 N ILE A 16 5.873 -9.802 -3.747 1.00 0.00 N ATOM 239 CA ILE A 16 7.230 -9.871 -4.239 1.00 0.00 C ATOM 240 C ILE A 16 7.095 -9.367 -5.670 1.00 0.00 C ATOM 241 O ILE A 16 6.614 -10.100 -6.536 1.00 0.00 O ATOM 242 CB ILE A 16 7.744 -11.330 -4.169 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.598 -12.029 -2.797 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.194 -11.397 -4.671 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.561 -11.540 -1.714 1.00 0.00 C ATOM 0 H ILE A 16 5.226 -10.308 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 16 7.950 -9.288 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 16 7.085 -11.899 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.577 -11.890 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.745 -13.100 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.550 -12.426 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.238 -11.049 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.825 -10.763 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.380 -12.090 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.588 -11.705 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.402 -10.476 -1.539 1.00 0.00 H new ATOM 257 N PHE A 17 7.407 -8.098 -5.916 1.00 0.00 N ATOM 258 CA PHE A 17 7.428 -7.597 -7.287 1.00 0.00 C ATOM 259 C PHE A 17 8.551 -8.319 -8.030 1.00 0.00 C ATOM 260 O PHE A 17 9.646 -8.469 -7.481 1.00 0.00 O ATOM 261 CB PHE A 17 7.604 -6.071 -7.318 1.00 0.00 C ATOM 262 CG PHE A 17 6.383 -5.354 -7.857 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.237 -5.169 -9.246 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.377 -4.903 -6.981 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.096 -4.524 -9.756 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.237 -4.257 -7.495 1.00 0.00 C ATOM 267 CZ PHE A 17 4.096 -4.066 -8.881 1.00 0.00 C ATOM 0 H PHE A 17 7.644 -7.410 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 17 6.477 -7.799 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.816 -5.713 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.468 -5.821 -7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.003 -5.523 -9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.480 -5.053 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.988 -4.381 -10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.468 -3.907 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.221 -3.568 -9.272 1.00 0.00 H new ATOM 277 N ARG A 18 8.303 -8.767 -9.266 1.00 0.00 N ATOM 278 CA ARG A 18 9.256 -9.550 -10.041 1.00 0.00 C ATOM 279 C ARG A 18 9.353 -9.014 -11.473 1.00 0.00 C ATOM 280 O ARG A 18 8.545 -8.163 -11.850 1.00 0.00 O ATOM 281 CB ARG A 18 8.826 -11.024 -9.952 1.00 0.00 C ATOM 282 CG ARG A 18 9.210 -11.602 -8.585 1.00 0.00 C ATOM 283 CD ARG A 18 9.450 -13.103 -8.681 1.00 0.00 C ATOM 284 NE ARG A 18 10.045 -13.609 -7.435 1.00 0.00 N ATOM 285 CZ ARG A 18 9.935 -14.846 -6.936 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.222 -15.776 -7.569 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.545 -15.140 -5.791 1.00 0.00 N ATOM 0 H ARG A 18 7.426 -8.591 -9.756 1.00 0.00 H new ATOM 0 HA ARG A 18 10.267 -9.468 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.749 -11.107 -10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.303 -11.599 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.109 -11.108 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.417 -11.401 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.508 -13.616 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.111 -13.319 -9.521 1.00 0.00 H new ATOM 0 HE ARG A 18 10.601 -12.947 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.752 -15.549 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.146 -16.715 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.088 -14.427 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.470 -16.079 -5.399 1.00 0.00 H new ATOM 301 N PRO A 19 10.338 -9.472 -12.274 1.00 0.00 N ATOM 302 CA PRO A 19 10.665 -8.877 -13.571 1.00 0.00 C ATOM 303 C PRO A 19 9.502 -8.643 -14.548 1.00 0.00 C ATOM 304 O PRO A 19 9.567 -7.698 -15.338 1.00 0.00 O ATOM 305 CB PRO A 19 11.733 -9.792 -14.178 1.00 0.00 C ATOM 306 CG PRO A 19 12.482 -10.296 -12.947 1.00 0.00 C ATOM 307 CD PRO A 19 11.375 -10.441 -11.905 1.00 0.00 C ATOM 0 HA PRO A 19 11.004 -7.856 -13.396 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.290 -10.610 -14.746 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.390 -9.251 -14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.982 -11.245 -13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.249 -9.592 -12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.976 -11.455 -11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.755 -10.242 -10.903 1.00 0.00 H new ATOM 315 N PHE A 20 8.453 -9.472 -14.513 1.00 0.00 N ATOM 316 CA PHE A 20 7.318 -9.388 -15.439 1.00 0.00 C ATOM 317 C PHE A 20 5.980 -9.780 -14.776 1.00 0.00 C ATOM 318 O PHE A 20 4.979 -9.979 -15.466 1.00 0.00 O ATOM 319 CB PHE A 20 7.640 -10.266 -16.667 1.00 0.00 C ATOM 320 CG PHE A 20 6.794 -9.999 -17.901 1.00 0.00 C ATOM 321 CD1 PHE A 20 6.920 -8.775 -18.589 1.00 0.00 C ATOM 322 CD2 PHE A 20 5.897 -10.976 -18.379 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.148 -8.526 -19.738 1.00 0.00 C ATOM 324 CE2 PHE A 20 5.125 -10.725 -19.529 1.00 0.00 C ATOM 325 CZ PHE A 20 5.249 -9.501 -20.208 1.00 0.00 C ATOM 0 H PHE A 20 8.367 -10.228 -13.834 1.00 0.00 H new ATOM 0 HA PHE A 20 7.182 -8.352 -15.751 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.689 -10.124 -16.929 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.521 -11.312 -16.385 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.612 -8.026 -18.233 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.802 -11.919 -17.862 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.245 -7.586 -20.260 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.436 -11.474 -19.890 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.655 -9.309 -21.089 1.00 0.00 H new ATOM 335 N TYR A 21 5.948 -9.932 -13.447 1.00 0.00 N ATOM 336 CA TYR A 21 4.811 -10.449 -12.682 1.00 0.00 C ATOM 337 C TYR A 21 5.011 -10.091 -11.207 1.00 0.00 C ATOM 338 O TYR A 21 5.920 -9.325 -10.877 1.00 0.00 O ATOM 339 CB TYR A 21 4.665 -11.976 -12.881 1.00 0.00 C ATOM 340 CG TYR A 21 5.661 -12.892 -12.171 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.043 -12.802 -12.426 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.188 -13.893 -11.298 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.935 -13.739 -11.870 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.077 -14.803 -10.699 1.00 0.00 C ATOM 345 CZ TYR A 21 7.455 -14.747 -11.004 1.00 0.00 C ATOM 346 OH TYR A 21 8.311 -15.648 -10.441 1.00 0.00 O ATOM 0 H TYR A 21 6.742 -9.689 -12.855 1.00 0.00 H new ATOM 0 HA TYR A 21 3.887 -9.994 -13.037 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.663 -12.260 -12.560 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.727 -12.181 -13.950 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.422 -12.008 -13.053 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.131 -13.962 -11.087 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.988 -13.687 -12.106 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.706 -15.544 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 21 9.190 -15.232 -10.320 1.00 0.00 H new ATOM 356 N ARG A 22 4.199 -10.649 -10.304 1.00 0.00 N ATOM 357 CA ARG A 22 4.477 -10.571 -8.875 1.00 0.00 C ATOM 358 C ARG A 22 4.237 -11.944 -8.277 1.00 0.00 C ATOM 359 O ARG A 22 3.497 -12.752 -8.840 1.00 0.00 O ATOM 360 CB ARG A 22 3.724 -9.397 -8.199 1.00 0.00 C ATOM 361 CG ARG A 22 2.434 -9.670 -7.409 1.00 0.00 C ATOM 362 CD ARG A 22 1.328 -10.452 -8.128 1.00 0.00 C ATOM 363 NE ARG A 22 1.147 -10.110 -9.555 1.00 0.00 N ATOM 364 CZ ARG A 22 0.697 -8.953 -10.066 1.00 0.00 C ATOM 365 NH1 ARG A 22 0.386 -7.928 -9.275 1.00 0.00 N ATOM 366 NH2 ARG A 22 0.560 -8.828 -11.382 1.00 0.00 N ATOM 0 H ARG A 22 3.347 -11.157 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 22 5.521 -10.319 -8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.424 -8.910 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.481 -8.675 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.701 -10.216 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.021 -8.712 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.547 -11.517 -8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.386 -10.282 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 22 1.392 -10.836 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.488 -8.015 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.045 -7.056 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.796 -9.608 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.219 -7.952 -11.778 1.00 0.00 H new ATOM 380 N HIS A 23 4.841 -12.199 -7.134 1.00 0.00 N ATOM 381 CA HIS A 23 4.731 -13.443 -6.393 1.00 0.00 C ATOM 382 C HIS A 23 4.318 -13.095 -4.963 1.00 0.00 C ATOM 383 O HIS A 23 4.291 -11.914 -4.607 1.00 0.00 O ATOM 384 CB HIS A 23 6.073 -14.189 -6.509 1.00 0.00 C ATOM 385 CG HIS A 23 6.168 -15.424 -5.657 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.227 -16.453 -5.634 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.146 -15.686 -4.742 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.675 -17.324 -4.714 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.821 -16.890 -4.168 1.00 0.00 N ATOM 0 H HIS A 23 5.447 -11.518 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 23 3.970 -14.117 -6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.232 -14.467 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.879 -13.509 -6.234 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.379 -16.528 -6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.003 -15.070 -4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.180 -18.247 -4.450 1.00 0.00 H new ATOM 397 N TRP A 24 3.948 -14.081 -4.149 1.00 0.00 N ATOM 398 CA TRP A 24 3.362 -13.851 -2.836 1.00 0.00 C ATOM 399 C TRP A 24 3.926 -14.828 -1.818 1.00 0.00 C ATOM 400 O TRP A 24 4.195 -15.990 -2.126 1.00 0.00 O ATOM 401 CB TRP A 24 1.841 -13.974 -2.913 1.00 0.00 C ATOM 402 CG TRP A 24 1.158 -12.822 -3.570 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.974 -12.638 -4.896 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.550 -11.670 -2.922 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.304 -11.450 -5.107 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.008 -10.822 -3.921 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.407 -11.276 -1.579 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.702 -9.647 -3.599 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.287 -10.099 -1.243 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.849 -9.292 -2.248 1.00 0.00 C ATOM 0 H TRP A 24 4.048 -15.068 -4.386 1.00 0.00 H new ATOM 0 HA TRP A 24 3.616 -12.841 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.590 -14.886 -3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.447 -14.085 -1.903 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.301 -13.316 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.069 -11.082 -6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.835 -11.885 -0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.117 -9.024 -4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.389 -9.814 -0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.394 -8.399 -1.981 1.00 0.00 H new ATOM 421 N ALA A 25 4.066 -14.330 -0.593 1.00 0.00 N ATOM 422 CA ALA A 25 4.636 -14.998 0.557 1.00 0.00 C ATOM 423 C ALA A 25 3.955 -14.436 1.810 1.00 0.00 C ATOM 424 O ALA A 25 3.174 -13.484 1.729 1.00 0.00 O ATOM 425 CB ALA A 25 6.145 -14.715 0.571 1.00 0.00 C ATOM 0 H ALA A 25 3.761 -13.383 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 25 4.482 -16.077 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.600 -15.208 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.595 -15.095 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.313 -13.640 0.639 1.00 0.00 H new ATOM 431 N ILE A 26 4.249 -14.992 2.979 1.00 0.00 N ATOM 432 CA ILE A 26 3.740 -14.496 4.246 1.00 0.00 C ATOM 433 C ILE A 26 4.899 -14.467 5.232 1.00 0.00 C ATOM 434 O ILE A 26 5.710 -15.391 5.254 1.00 0.00 O ATOM 435 CB ILE A 26 2.548 -15.379 4.667 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.599 -14.578 5.569 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.978 -16.712 5.301 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.254 -15.283 5.687 1.00 0.00 C ATOM 0 H ILE A 26 4.854 -15.808 3.072 1.00 0.00 H new ATOM 0 HA ILE A 26 3.355 -13.478 4.191 1.00 0.00 H new ATOM 0 HB ILE A 26 2.008 -15.662 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.042 -14.459 6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.457 -13.577 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.093 -17.287 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.572 -17.280 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.574 -16.516 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.406 -14.701 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.194 -15.379 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.399 -16.274 6.117 1.00 0.00 H new ATOM 450 N TYR A 27 5.015 -13.390 6.001 1.00 0.00 N ATOM 451 CA TYR A 27 6.089 -13.164 6.956 1.00 0.00 C ATOM 452 C TYR A 27 5.813 -14.040 8.179 1.00 0.00 C ATOM 453 O TYR A 27 4.700 -13.996 8.705 1.00 0.00 O ATOM 454 CB TYR A 27 6.079 -11.652 7.252 1.00 0.00 C ATOM 455 CG TYR A 27 7.267 -11.015 7.952 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.586 -11.487 7.793 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.044 -9.838 8.690 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.658 -10.813 8.406 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.104 -9.180 9.334 1.00 0.00 C ATOM 460 CZ TYR A 27 9.419 -9.671 9.203 1.00 0.00 C ATOM 461 OH TYR A 27 10.433 -9.023 9.839 1.00 0.00 O ATOM 0 H TYR A 27 4.340 -12.626 5.974 1.00 0.00 H new ATOM 0 HA TYR A 27 7.081 -13.436 6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.945 -11.135 6.302 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.195 -11.444 7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.774 -12.369 7.199 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.044 -9.435 8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.668 -11.170 8.267 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.912 -8.299 9.929 1.00 0.00 H new ATOM 0 HH TYR A 27 11.269 -9.519 9.712 1.00 0.00 H new ATOM 471 N VAL A 28 6.787 -14.834 8.636 1.00 0.00 N ATOM 472 CA VAL A 28 6.580 -15.804 9.728 1.00 0.00 C ATOM 473 C VAL A 28 7.646 -15.739 10.826 1.00 0.00 C ATOM 474 O VAL A 28 7.432 -16.268 11.917 1.00 0.00 O ATOM 475 CB VAL A 28 6.457 -17.247 9.198 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.268 -17.417 8.247 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.738 -17.742 8.506 1.00 0.00 C ATOM 0 H VAL A 28 7.737 -14.827 8.265 1.00 0.00 H new ATOM 0 HA VAL A 28 5.636 -15.510 10.186 1.00 0.00 H new ATOM 0 HB VAL A 28 6.290 -17.860 10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.224 -18.450 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.345 -17.170 8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.388 -16.752 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.590 -18.763 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.967 -17.096 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.566 -17.718 9.214 1.00 0.00 H new ATOM 487 N GLY A 29 8.777 -15.088 10.568 1.00 0.00 N ATOM 488 CA GLY A 29 9.866 -14.915 11.514 1.00 0.00 C ATOM 489 C GLY A 29 10.630 -13.670 11.102 1.00 0.00 C ATOM 490 O GLY A 29 10.414 -13.171 10.001 1.00 0.00 O ATOM 0 H GLY A 29 8.963 -14.654 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.481 -14.811 12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.521 -15.786 11.509 1.00 0.00 H new ATOM 494 N ASP A 30 11.527 -13.185 11.958 1.00 0.00 N ATOM 495 CA ASP A 30 12.159 -11.865 11.833 1.00 0.00 C ATOM 496 C ASP A 30 12.761 -11.561 10.453 1.00 0.00 C ATOM 497 O ASP A 30 12.747 -10.407 10.026 1.00 0.00 O ATOM 498 CB ASP A 30 13.226 -11.709 12.921 1.00 0.00 C ATOM 499 CG ASP A 30 13.924 -10.340 12.848 1.00 0.00 C ATOM 500 OD1 ASP A 30 13.327 -9.331 13.287 1.00 0.00 O ATOM 501 OD2 ASP A 30 15.096 -10.279 12.414 1.00 0.00 O ATOM 0 H ASP A 30 11.844 -13.706 12.776 1.00 0.00 H new ATOM 0 HA ASP A 30 11.358 -11.136 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.765 -11.830 13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.968 -12.501 12.818 1.00 0.00 H new ATOM 506 N GLY A 31 13.220 -12.584 9.726 1.00 0.00 N ATOM 507 CA GLY A 31 13.701 -12.454 8.353 1.00 0.00 C ATOM 508 C GLY A 31 13.177 -13.541 7.415 1.00 0.00 C ATOM 509 O GLY A 31 13.711 -13.673 6.315 1.00 0.00 O ATOM 0 H GLY A 31 13.267 -13.538 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.407 -11.479 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.791 -12.482 8.355 1.00 0.00 H new ATOM 513 N TYR A 32 12.166 -14.325 7.806 1.00 0.00 N ATOM 514 CA TYR A 32 11.740 -15.518 7.072 1.00 0.00 C ATOM 515 C TYR A 32 10.274 -15.450 6.681 1.00 0.00 C ATOM 516 O TYR A 32 9.444 -14.848 7.371 1.00 0.00 O ATOM 517 CB TYR A 32 12.003 -16.784 7.897 1.00 0.00 C ATOM 518 CG TYR A 32 13.468 -17.157 7.960 1.00 0.00 C ATOM 519 CD1 TYR A 32 14.314 -16.504 8.874 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.987 -18.129 7.083 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.683 -16.822 8.920 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.356 -18.451 7.121 1.00 0.00 C ATOM 523 CZ TYR A 32 16.211 -17.798 8.042 1.00 0.00 C ATOM 524 OH TYR A 32 17.540 -18.097 8.092 1.00 0.00 O ATOM 0 H TYR A 32 11.617 -14.147 8.647 1.00 0.00 H new ATOM 0 HA TYR A 32 12.329 -15.558 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.628 -16.635 8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.441 -17.614 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.912 -15.757 9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.334 -18.627 6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 32 16.331 -16.322 9.625 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.755 -19.196 6.448 1.00 0.00 H new ATOM 0 HH TYR A 32 17.745 -18.787 7.427 1.00 0.00 H new ATOM 534 N VAL A 33 9.960 -16.138 5.588 1.00 0.00 N ATOM 535 CA VAL A 33 8.635 -16.205 5.000 1.00 0.00 C ATOM 536 C VAL A 33 8.270 -17.649 4.661 1.00 0.00 C ATOM 537 O VAL A 33 9.148 -18.495 4.487 1.00 0.00 O ATOM 538 CB VAL A 33 8.556 -15.329 3.729 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.591 -13.828 4.031 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.649 -15.656 2.698 1.00 0.00 C ATOM 0 H VAL A 33 10.650 -16.683 5.071 1.00 0.00 H new ATOM 0 HA VAL A 33 7.922 -15.825 5.731 1.00 0.00 H new ATOM 0 HB VAL A 33 7.586 -15.577 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.532 -13.268 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.745 -13.565 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.521 -13.582 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.537 -15.006 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.630 -15.498 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.556 -16.696 2.386 1.00 0.00 H new ATOM 550 N VAL A 34 6.973 -17.909 4.517 1.00 0.00 N ATOM 551 CA VAL A 34 6.419 -19.128 3.951 1.00 0.00 C ATOM 552 C VAL A 34 5.789 -18.717 2.625 1.00 0.00 C ATOM 553 O VAL A 34 5.154 -17.663 2.536 1.00 0.00 O ATOM 554 CB VAL A 34 5.431 -19.766 4.947 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.506 -20.811 4.311 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.233 -20.426 6.067 1.00 0.00 C ATOM 0 H VAL A 34 6.253 -17.246 4.804 1.00 0.00 H new ATOM 0 HA VAL A 34 7.167 -19.899 3.767 1.00 0.00 H new ATOM 0 HB VAL A 34 4.789 -18.968 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.839 -21.217 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.916 -20.343 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.105 -21.617 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.550 -20.884 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.884 -21.192 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.838 -19.674 6.573 1.00 0.00 H new ATOM 566 N HIS A 35 5.995 -19.513 1.579 1.00 0.00 N ATOM 567 CA HIS A 35 5.529 -19.203 0.230 1.00 0.00 C ATOM 568 C HIS A 35 5.427 -20.476 -0.605 1.00 0.00 C ATOM 569 O HIS A 35 5.914 -21.527 -0.187 1.00 0.00 O ATOM 570 CB HIS A 35 6.475 -18.179 -0.422 1.00 0.00 C ATOM 571 CG HIS A 35 7.812 -18.688 -0.915 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.408 -18.274 -2.108 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.657 -19.555 -0.278 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.582 -18.918 -2.175 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.759 -19.688 -1.092 1.00 0.00 N ATOM 0 H HIS A 35 6.495 -20.400 1.644 1.00 0.00 H new ATOM 0 HA HIS A 35 4.532 -18.765 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.954 -17.727 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.662 -17.384 0.300 1.00 0.00 H new ATOM 0 HD1 HIS A 35 8.028 -17.616 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.492 -20.039 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.287 -18.829 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.573 -20.273 -0.903 1.00 0.00 H new ATOM 583 N LEU A 36 4.801 -20.401 -1.782 1.00 0.00 N ATOM 584 CA LEU A 36 4.845 -21.499 -2.744 1.00 0.00 C ATOM 585 C LEU A 36 6.148 -21.375 -3.530 1.00 0.00 C ATOM 586 O LEU A 36 6.537 -20.272 -3.918 1.00 0.00 O ATOM 587 CB LEU A 36 3.651 -21.458 -3.719 1.00 0.00 C ATOM 588 CG LEU A 36 2.352 -22.149 -3.272 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.544 -23.639 -2.974 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.753 -21.487 -2.040 1.00 0.00 C ATOM 0 H LEU A 36 4.260 -19.593 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 36 4.791 -22.446 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.422 -20.413 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.967 -21.910 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 36 1.670 -22.044 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.594 -24.073 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.899 -24.147 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.276 -23.759 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.837 -22.006 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.466 -21.536 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.526 -20.444 -2.261 1.00 0.00 H new ATOM 602 N ALA A 37 6.781 -22.509 -3.820 1.00 0.00 N ATOM 603 CA ALA A 37 7.989 -22.614 -4.626 1.00 0.00 C ATOM 604 C ALA A 37 7.905 -23.888 -5.481 1.00 0.00 C ATOM 605 O ALA A 37 7.059 -24.748 -5.205 1.00 0.00 O ATOM 606 CB ALA A 37 9.201 -22.646 -3.685 1.00 0.00 C ATOM 0 H ALA A 37 6.451 -23.414 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 37 8.093 -21.760 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.116 -22.725 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.227 -21.731 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.122 -23.506 -3.019 1.00 0.00 H new ATOM 612 N PRO A 38 8.752 -24.043 -6.517 1.00 0.00 N ATOM 613 CA PRO A 38 8.882 -25.294 -7.256 1.00 0.00 C ATOM 614 C PRO A 38 9.117 -26.497 -6.326 1.00 0.00 C ATOM 615 O PRO A 38 9.702 -26.332 -5.246 1.00 0.00 O ATOM 616 CB PRO A 38 10.058 -25.085 -8.216 1.00 0.00 C ATOM 617 CG PRO A 38 10.066 -23.575 -8.439 1.00 0.00 C ATOM 618 CD PRO A 38 9.636 -23.031 -7.078 1.00 0.00 C ATOM 0 HA PRO A 38 7.962 -25.529 -7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.996 -25.433 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.916 -25.629 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.054 -23.213 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.376 -23.279 -9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.498 -22.861 -6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.123 -22.075 -7.182 1.00 0.00 H new ATOM 626 N PRO A 39 8.701 -27.712 -6.721 1.00 0.00 N ATOM 627 CA PRO A 39 8.889 -28.900 -5.902 1.00 0.00 C ATOM 628 C PRO A 39 10.382 -29.213 -5.751 1.00 0.00 C ATOM 629 O PRO A 39 11.125 -29.234 -6.737 1.00 0.00 O ATOM 630 CB PRO A 39 8.123 -30.019 -6.619 1.00 0.00 C ATOM 631 CG PRO A 39 8.132 -29.578 -8.083 1.00 0.00 C ATOM 632 CD PRO A 39 8.055 -28.054 -7.982 1.00 0.00 C ATOM 0 HA PRO A 39 8.513 -28.772 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.609 -30.986 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.107 -30.119 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.036 -29.903 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.286 -29.989 -8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.561 -27.579 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.020 -27.712 -7.998 1.00 0.00 H new ATOM 640 N SER A 40 10.820 -29.470 -4.516 1.00 0.00 N ATOM 641 CA SER A 40 12.185 -29.908 -4.240 1.00 0.00 C ATOM 642 C SER A 40 12.416 -31.325 -4.771 1.00 0.00 C ATOM 643 O SER A 40 13.496 -31.642 -5.273 1.00 0.00 O ATOM 644 CB SER A 40 12.426 -29.906 -2.730 1.00 0.00 C ATOM 645 OG SER A 40 11.951 -28.705 -2.132 1.00 0.00 O ATOM 0 H SER A 40 10.238 -29.380 -3.683 1.00 0.00 H new ATOM 0 HA SER A 40 12.873 -29.223 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.925 -30.762 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.492 -30.018 -2.530 1.00 0.00 H new ATOM 0 HG SER A 40 12.117 -28.732 -1.167 1.00 0.00 H new ATOM 651 N GLU A 41 11.402 -32.181 -4.628 1.00 0.00 N ATOM 652 CA GLU A 41 11.477 -33.584 -5.002 1.00 0.00 C ATOM 653 C GLU A 41 11.485 -33.708 -6.526 1.00 0.00 C ATOM 654 O GLU A 41 10.818 -32.949 -7.238 1.00 0.00 O ATOM 655 CB GLU A 41 10.309 -34.372 -4.386 1.00 0.00 C ATOM 656 CG GLU A 41 10.427 -34.455 -2.856 1.00 0.00 C ATOM 657 CD GLU A 41 9.339 -35.352 -2.243 1.00 0.00 C ATOM 658 OE1 GLU A 41 9.511 -36.593 -2.209 1.00 0.00 O ATOM 659 OE2 GLU A 41 8.311 -34.828 -1.758 1.00 0.00 O ATOM 0 H GLU A 41 10.497 -31.910 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 41 12.402 -34.010 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.366 -33.895 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.287 -35.378 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.410 -34.843 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.353 -33.454 -2.432 1.00 0.00 H new ATOM 666 N VAL A 42 12.242 -34.689 -7.015 1.00 0.00 N ATOM 667 CA VAL A 42 12.265 -35.093 -8.415 1.00 0.00 C ATOM 668 C VAL A 42 10.901 -35.652 -8.856 1.00 0.00 C ATOM 669 O VAL A 42 10.018 -35.938 -8.042 1.00 0.00 O ATOM 670 CB VAL A 42 13.413 -36.099 -8.672 1.00 0.00 C ATOM 671 CG1 VAL A 42 14.782 -35.420 -8.505 1.00 0.00 C ATOM 672 CG2 VAL A 42 13.355 -37.341 -7.766 1.00 0.00 C ATOM 0 H VAL A 42 12.872 -35.238 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 42 12.458 -34.210 -9.024 1.00 0.00 H new ATOM 0 HB VAL A 42 13.281 -36.437 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.573 -36.146 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.870 -34.598 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.875 -35.033 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.189 -38.002 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.419 -37.033 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.416 -37.869 -7.932 1.00 0.00 H new ATOM 682 N ALA A 43 10.767 -35.845 -10.171 1.00 0.00 N ATOM 683 CA ALA A 43 9.601 -36.425 -10.827 1.00 0.00 C ATOM 684 C ALA A 43 9.216 -37.792 -10.250 1.00 0.00 C ATOM 685 O ALA A 43 8.025 -38.088 -10.122 1.00 0.00 O ATOM 686 CB ALA A 43 9.919 -36.561 -12.319 1.00 0.00 C ATOM 0 H ALA A 43 11.501 -35.589 -10.832 1.00 0.00 H new ATOM 0 HA ALA A 43 8.748 -35.767 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.062 -36.993 -12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.136 -35.578 -12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.786 -37.209 -12.449 1.00 0.00 H new ATOM 692 N GLY A 44 10.206 -38.623 -9.898 1.00 0.00 N ATOM 693 CA GLY A 44 9.976 -39.978 -9.415 1.00 0.00 C ATOM 694 C GLY A 44 9.116 -40.773 -10.403 1.00 0.00 C ATOM 695 O GLY A 44 9.234 -40.603 -11.620 1.00 0.00 O ATOM 0 H GLY A 44 11.192 -38.366 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.931 -40.483 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.483 -39.943 -8.444 1.00 0.00 H new ATOM 699 N ALA A 45 8.239 -41.630 -9.875 1.00 0.00 N ATOM 700 CA ALA A 45 7.265 -42.380 -10.666 1.00 0.00 C ATOM 701 C ALA A 45 6.110 -41.501 -11.188 1.00 0.00 C ATOM 702 O ALA A 45 5.279 -41.992 -11.956 1.00 0.00 O ATOM 703 CB ALA A 45 6.714 -43.533 -9.814 1.00 0.00 C ATOM 0 H ALA A 45 8.186 -41.824 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 45 7.778 -42.766 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.986 -44.099 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.532 -44.190 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.232 -43.129 -8.923 1.00 0.00 H new ATOM 709 N GLY A 46 6.019 -40.233 -10.770 1.00 0.00 N ATOM 710 CA GLY A 46 4.963 -39.306 -11.166 1.00 0.00 C ATOM 711 C GLY A 46 4.751 -38.213 -10.119 1.00 0.00 C ATOM 712 O GLY A 46 4.411 -37.090 -10.485 1.00 0.00 O ATOM 0 H GLY A 46 6.697 -39.817 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.219 -38.850 -12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.033 -39.855 -11.313 1.00 0.00 H new ATOM 716 N ALA A 47 4.988 -38.533 -8.836 1.00 0.00 N ATOM 717 CA ALA A 47 4.906 -37.635 -7.680 1.00 0.00 C ATOM 718 C ALA A 47 3.637 -36.760 -7.661 1.00 0.00 C ATOM 719 O ALA A 47 3.687 -35.595 -7.256 1.00 0.00 O ATOM 720 CB ALA A 47 6.209 -36.829 -7.561 1.00 0.00 C ATOM 0 H ALA A 47 5.257 -39.479 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 47 4.803 -38.249 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.147 -36.162 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.049 -37.512 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.357 -36.241 -8.467 1.00 0.00 H new ATOM 726 N ALA A 48 2.509 -37.300 -8.125 1.00 0.00 N ATOM 727 CA ALA A 48 1.209 -36.644 -8.191 1.00 0.00 C ATOM 728 C ALA A 48 0.132 -37.719 -8.390 1.00 0.00 C ATOM 729 O ALA A 48 0.453 -38.905 -8.522 1.00 0.00 O ATOM 730 CB ALA A 48 1.202 -35.652 -9.361 1.00 0.00 C ATOM 0 H ALA A 48 2.480 -38.255 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 48 1.007 -36.096 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.231 -35.159 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.981 -34.905 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.389 -36.187 -10.292 1.00 0.00 H new ATOM 736 N SER A 49 -1.137 -37.309 -8.457 1.00 0.00 N ATOM 737 CA SER A 49 -2.259 -38.177 -8.805 1.00 0.00 C ATOM 738 C SER A 49 -2.069 -38.807 -10.193 1.00 0.00 C ATOM 739 O SER A 49 -2.417 -39.972 -10.399 1.00 0.00 O ATOM 740 CB SER A 49 -3.550 -37.350 -8.740 1.00 0.00 C ATOM 741 OG SER A 49 -3.369 -36.083 -9.359 1.00 0.00 O ATOM 0 H SER A 49 -1.416 -36.346 -8.267 1.00 0.00 H new ATOM 0 HA SER A 49 -2.317 -39.002 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.358 -37.889 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.848 -37.213 -7.700 1.00 0.00 H new ATOM 0 HG SER A 49 -4.204 -35.572 -9.309 1.00 0.00 H new ATOM 747 N VAL A 50 -1.473 -38.060 -11.126 1.00 0.00 N ATOM 748 CA VAL A 50 -1.059 -38.523 -12.440 1.00 0.00 C ATOM 749 C VAL A 50 0.156 -37.680 -12.839 1.00 0.00 C ATOM 750 O VAL A 50 0.214 -36.487 -12.522 1.00 0.00 O ATOM 751 CB VAL A 50 -2.254 -38.437 -13.424 1.00 0.00 C ATOM 752 CG1 VAL A 50 -2.809 -37.014 -13.615 1.00 0.00 C ATOM 753 CG2 VAL A 50 -1.914 -39.048 -14.790 1.00 0.00 C ATOM 0 H VAL A 50 -1.260 -37.074 -10.973 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.761 -39.572 -12.450 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.041 -39.024 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.642 -37.040 -14.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.154 -36.626 -12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.024 -36.367 -14.006 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.778 -38.967 -15.450 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.072 -38.513 -15.228 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.651 -40.098 -14.663 1.00 0.00 H new ATOM 763 N MET A 51 1.129 -38.287 -13.524 1.00 0.00 N ATOM 764 CA MET A 51 2.396 -37.638 -13.871 1.00 0.00 C ATOM 765 C MET A 51 2.214 -36.360 -14.699 1.00 0.00 C ATOM 766 O MET A 51 3.093 -35.504 -14.696 1.00 0.00 O ATOM 767 CB MET A 51 3.336 -38.634 -14.573 1.00 0.00 C ATOM 768 CG MET A 51 2.829 -39.104 -15.944 1.00 0.00 C ATOM 769 SD MET A 51 3.920 -40.303 -16.757 1.00 0.00 S ATOM 770 CE MET A 51 2.984 -40.570 -18.288 1.00 0.00 C ATOM 0 H MET A 51 1.059 -39.249 -13.856 1.00 0.00 H new ATOM 0 HA MET A 51 2.855 -37.321 -12.935 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.314 -38.170 -14.697 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.475 -39.503 -13.930 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.842 -39.550 -15.822 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.710 -38.237 -16.594 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.512 -41.287 -18.917 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.995 -40.958 -18.047 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.882 -39.625 -18.822 1.00 0.00 H new ATOM 780 N SER A 52 1.077 -36.191 -15.378 1.00 0.00 N ATOM 781 CA SER A 52 0.750 -35.000 -16.151 1.00 0.00 C ATOM 782 C SER A 52 0.768 -33.712 -15.312 1.00 0.00 C ATOM 783 O SER A 52 0.970 -32.630 -15.867 1.00 0.00 O ATOM 784 CB SER A 52 -0.635 -35.191 -16.776 1.00 0.00 C ATOM 785 OG SER A 52 -0.780 -36.501 -17.311 1.00 0.00 O ATOM 0 H SER A 52 0.343 -36.899 -15.403 1.00 0.00 H new ATOM 0 HA SER A 52 1.516 -34.880 -16.917 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.404 -35.015 -16.024 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.786 -34.454 -17.565 1.00 0.00 H new ATOM 0 HG SER A 52 -1.673 -36.597 -17.702 1.00 0.00 H new ATOM 791 N ALA A 53 0.572 -33.804 -13.988 1.00 0.00 N ATOM 792 CA ALA A 53 0.647 -32.651 -13.093 1.00 0.00 C ATOM 793 C ALA A 53 2.089 -32.164 -12.887 1.00 0.00 C ATOM 794 O ALA A 53 2.292 -31.086 -12.332 1.00 0.00 O ATOM 795 CB ALA A 53 0.011 -33.004 -11.747 1.00 0.00 C ATOM 0 H ALA A 53 0.358 -34.681 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 53 0.098 -31.833 -13.560 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.068 -32.143 -11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.033 -33.277 -11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.545 -33.843 -11.301 1.00 0.00 H new ATOM 801 N LEU A 54 3.107 -32.924 -13.306 1.00 0.00 N ATOM 802 CA LEU A 54 4.486 -32.447 -13.272 1.00 0.00 C ATOM 803 C LEU A 54 4.585 -31.252 -14.220 1.00 0.00 C ATOM 804 O LEU A 54 4.179 -31.353 -15.378 1.00 0.00 O ATOM 805 CB LEU A 54 5.478 -33.549 -13.687 1.00 0.00 C ATOM 806 CG LEU A 54 5.592 -34.716 -12.685 1.00 0.00 C ATOM 807 CD1 LEU A 54 6.425 -35.842 -13.307 1.00 0.00 C ATOM 808 CD2 LEU A 54 6.242 -34.279 -11.366 1.00 0.00 C ATOM 0 H LEU A 54 2.998 -33.870 -13.671 1.00 0.00 H new ATOM 0 HA LEU A 54 4.749 -32.156 -12.255 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.176 -33.947 -14.656 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.463 -33.102 -13.819 1.00 0.00 H new ATOM 0 HG LEU A 54 4.583 -35.063 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.506 -36.668 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.941 -36.192 -14.219 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.421 -35.469 -13.545 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.302 -35.132 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.245 -33.900 -11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.641 -33.494 -10.907 1.00 0.00 H new ATOM 820 N THR A 55 5.113 -30.133 -13.714 1.00 0.00 N ATOM 821 CA THR A 55 5.271 -28.835 -14.390 1.00 0.00 C ATOM 822 C THR A 55 4.000 -27.982 -14.264 1.00 0.00 C ATOM 823 O THR A 55 3.919 -26.853 -14.747 1.00 0.00 O ATOM 824 CB THR A 55 5.806 -28.978 -15.835 1.00 0.00 C ATOM 825 OG1 THR A 55 6.783 -30.004 -15.937 1.00 0.00 O ATOM 826 CG2 THR A 55 6.472 -27.710 -16.384 1.00 0.00 C ATOM 0 H THR A 55 5.466 -30.105 -12.757 1.00 0.00 H new ATOM 0 HA THR A 55 6.052 -28.280 -13.870 1.00 0.00 H new ATOM 0 HB THR A 55 4.912 -29.205 -16.416 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.096 -30.066 -16.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.820 -27.893 -17.401 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.751 -26.893 -16.389 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.320 -27.442 -15.753 1.00 0.00 H new ATOM 834 N ASP A 56 3.040 -28.508 -13.516 1.00 0.00 N ATOM 835 CA ASP A 56 1.820 -27.856 -13.060 1.00 0.00 C ATOM 836 C ASP A 56 1.541 -28.229 -11.598 1.00 0.00 C ATOM 837 O ASP A 56 0.417 -28.527 -11.194 1.00 0.00 O ATOM 838 CB ASP A 56 0.649 -28.172 -14.002 1.00 0.00 C ATOM 839 CG ASP A 56 -0.664 -27.456 -13.614 1.00 0.00 C ATOM 840 OD1 ASP A 56 -0.627 -26.321 -13.084 1.00 0.00 O ATOM 841 OD2 ASP A 56 -1.749 -28.010 -13.908 1.00 0.00 O ATOM 0 H ASP A 56 3.098 -29.472 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 56 1.949 -26.774 -13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.923 -27.887 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.478 -29.249 -14.008 1.00 0.00 H new ATOM 846 N LYS A 57 2.600 -28.244 -10.785 1.00 0.00 N ATOM 847 CA LYS A 57 2.543 -28.412 -9.344 1.00 0.00 C ATOM 848 C LYS A 57 3.492 -27.427 -8.669 1.00 0.00 C ATOM 849 O LYS A 57 4.405 -26.901 -9.312 1.00 0.00 O ATOM 850 CB LYS A 57 2.848 -29.875 -8.994 1.00 0.00 C ATOM 851 CG LYS A 57 4.324 -30.290 -9.116 1.00 0.00 C ATOM 852 CD LYS A 57 4.580 -31.721 -8.615 1.00 0.00 C ATOM 853 CE LYS A 57 4.375 -31.844 -7.094 1.00 0.00 C ATOM 854 NZ LYS A 57 4.835 -33.149 -6.562 1.00 0.00 N ATOM 0 H LYS A 57 3.553 -28.135 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 57 1.544 -28.189 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.519 -30.062 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.253 -30.518 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.634 -30.213 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.941 -29.594 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.910 -32.410 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.598 -32.018 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.914 -31.041 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.318 -31.713 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.754 -33.149 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.247 -33.911 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.828 -33.303 -6.832 1.00 0.00 H new ATOM 868 N ALA A 58 3.305 -27.228 -7.370 1.00 0.00 N ATOM 869 CA ALA A 58 4.176 -26.455 -6.498 1.00 0.00 C ATOM 870 C ALA A 58 4.174 -27.085 -5.099 1.00 0.00 C ATOM 871 O ALA A 58 3.387 -27.991 -4.813 1.00 0.00 O ATOM 872 CB ALA A 58 3.694 -24.999 -6.462 1.00 0.00 C ATOM 0 H ALA A 58 2.504 -27.620 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 58 5.199 -26.463 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.344 -24.416 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.722 -24.582 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.673 -24.963 -6.082 1.00 0.00 H new ATOM 878 N ILE A 59 5.041 -26.601 -4.214 1.00 0.00 N ATOM 879 CA ILE A 59 5.161 -27.061 -2.833 1.00 0.00 C ATOM 880 C ILE A 59 5.290 -25.825 -1.958 1.00 0.00 C ATOM 881 O ILE A 59 5.857 -24.810 -2.367 1.00 0.00 O ATOM 882 CB ILE A 59 6.352 -28.045 -2.699 1.00 0.00 C ATOM 883 CG1 ILE A 59 5.905 -29.409 -3.251 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.877 -28.221 -1.258 1.00 0.00 C ATOM 885 CD1 ILE A 59 6.896 -30.567 -3.080 1.00 0.00 C ATOM 0 H ILE A 59 5.699 -25.856 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 59 4.284 -27.623 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 59 7.183 -27.621 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.969 -29.685 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.691 -29.295 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.709 -28.926 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.216 -27.259 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.077 -28.603 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.471 -31.475 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.828 -30.327 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.094 -30.723 -2.020 1.00 0.00 H new ATOM 897 N VAL A 60 4.756 -25.919 -0.747 1.00 0.00 N ATOM 898 CA VAL A 60 4.851 -24.839 0.225 1.00 0.00 C ATOM 899 C VAL A 60 6.228 -24.963 0.882 1.00 0.00 C ATOM 900 O VAL A 60 6.586 -26.033 1.378 1.00 0.00 O ATOM 901 CB VAL A 60 3.704 -24.929 1.245 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.712 -23.707 2.174 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.313 -25.010 0.590 1.00 0.00 C ATOM 0 H VAL A 60 4.249 -26.739 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 60 4.753 -23.861 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 60 3.879 -25.850 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.893 -23.788 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.660 -23.664 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.589 -22.800 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.549 -25.071 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.144 -24.120 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.260 -25.896 -0.043 1.00 0.00 H new ATOM 913 N LYS A 61 6.998 -23.880 0.908 1.00 0.00 N ATOM 914 CA LYS A 61 8.370 -23.833 1.408 1.00 0.00 C ATOM 915 C LYS A 61 8.475 -22.702 2.427 1.00 0.00 C ATOM 916 O LYS A 61 7.655 -21.783 2.417 1.00 0.00 O ATOM 917 CB LYS A 61 9.336 -23.607 0.218 1.00 0.00 C ATOM 918 CG LYS A 61 10.514 -24.597 0.177 1.00 0.00 C ATOM 919 CD LYS A 61 10.121 -26.028 -0.240 1.00 0.00 C ATOM 920 CE LYS A 61 9.699 -26.166 -1.715 1.00 0.00 C ATOM 921 NZ LYS A 61 10.844 -26.107 -2.661 1.00 0.00 N ATOM 0 H LYS A 61 6.672 -22.975 0.568 1.00 0.00 H new ATOM 0 HA LYS A 61 8.641 -24.771 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.775 -23.686 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.729 -22.591 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.266 -24.222 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.979 -24.632 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.964 -26.693 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.301 -26.366 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.174 -27.112 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.993 -25.372 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.486 -26.069 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.411 -25.257 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.436 -26.953 -2.542 1.00 0.00 H new ATOM 935 N LYS A 62 9.502 -22.741 3.275 1.00 0.00 N ATOM 936 CA LYS A 62 9.827 -21.687 4.234 1.00 0.00 C ATOM 937 C LYS A 62 11.277 -21.300 3.981 1.00 0.00 C ATOM 938 O LYS A 62 12.138 -22.181 3.974 1.00 0.00 O ATOM 939 CB LYS A 62 9.604 -22.217 5.657 1.00 0.00 C ATOM 940 CG LYS A 62 9.907 -21.191 6.759 1.00 0.00 C ATOM 941 CD LYS A 62 9.542 -21.792 8.123 1.00 0.00 C ATOM 942 CE LYS A 62 9.866 -20.827 9.270 1.00 0.00 C ATOM 943 NZ LYS A 62 9.447 -21.382 10.579 1.00 0.00 N ATOM 0 H LYS A 62 10.149 -23.529 3.315 1.00 0.00 H new ATOM 0 HA LYS A 62 9.193 -20.807 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.569 -22.544 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.232 -23.095 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.962 -20.919 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.339 -20.277 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.480 -22.036 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.086 -22.725 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.937 -20.624 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.364 -19.875 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.649 -20.691 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.427 -21.584 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.971 -22.261 10.767 1.00 0.00 H new ATOM 957 N GLU A 63 11.547 -20.020 3.732 1.00 0.00 N ATOM 958 CA GLU A 63 12.835 -19.527 3.251 1.00 0.00 C ATOM 959 C GLU A 63 13.030 -18.087 3.736 1.00 0.00 C ATOM 960 O GLU A 63 12.090 -17.441 4.203 1.00 0.00 O ATOM 961 CB GLU A 63 12.889 -19.588 1.708 1.00 0.00 C ATOM 962 CG GLU A 63 12.918 -21.027 1.165 1.00 0.00 C ATOM 963 CD GLU A 63 13.191 -21.081 -0.344 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.225 -20.953 -1.128 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.357 -21.296 -0.749 1.00 0.00 O ATOM 0 H GLU A 63 10.858 -19.279 3.863 1.00 0.00 H new ATOM 0 HA GLU A 63 13.636 -20.154 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.023 -19.068 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.774 -19.056 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.686 -21.595 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.964 -21.511 1.376 1.00 0.00 H new ATOM 972 N LEU A 64 14.263 -17.586 3.657 1.00 0.00 N ATOM 973 CA LEU A 64 14.608 -16.218 4.030 1.00 0.00 C ATOM 974 C LEU A 64 13.928 -15.245 3.062 1.00 0.00 C ATOM 975 O LEU A 64 14.038 -15.418 1.846 1.00 0.00 O ATOM 976 CB LEU A 64 16.140 -16.072 3.957 1.00 0.00 C ATOM 977 CG LEU A 64 16.676 -14.742 4.523 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.768 -14.788 6.052 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.068 -14.455 3.952 1.00 0.00 C ATOM 0 H LEU A 64 15.061 -18.129 3.327 1.00 0.00 H new ATOM 0 HA LEU A 64 14.268 -15.994 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.599 -16.897 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.453 -16.164 2.917 1.00 0.00 H new ATOM 0 HG LEU A 64 15.981 -13.953 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.149 -13.836 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.778 -14.970 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.442 -15.590 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.440 -13.514 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.747 -15.262 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.008 -14.385 2.866 1.00 0.00 H new ATOM 991 N LEU A 65 13.283 -14.194 3.578 1.00 0.00 N ATOM 992 CA LEU A 65 12.575 -13.201 2.769 1.00 0.00 C ATOM 993 C LEU A 65 13.488 -12.621 1.701 1.00 0.00 C ATOM 994 O LEU A 65 13.084 -12.513 0.547 1.00 0.00 O ATOM 995 CB LEU A 65 12.001 -12.085 3.664 1.00 0.00 C ATOM 996 CG LEU A 65 11.150 -11.059 2.875 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.082 -10.442 3.792 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.969 -9.883 2.318 1.00 0.00 C ATOM 0 H LEU A 65 13.238 -14.008 4.580 1.00 0.00 H new ATOM 0 HA LEU A 65 11.745 -13.699 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.388 -12.533 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.821 -11.565 4.159 1.00 0.00 H new ATOM 0 HG LEU A 65 10.719 -11.621 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.489 -9.722 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.431 -11.229 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.567 -9.937 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.310 -9.204 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.444 -9.349 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.735 -10.261 1.641 1.00 0.00 H new ATOM 1010 N TYR A 66 14.717 -12.264 2.074 1.00 0.00 N ATOM 1011 CA TYR A 66 15.643 -11.594 1.174 1.00 0.00 C ATOM 1012 C TYR A 66 16.077 -12.495 0.011 1.00 0.00 C ATOM 1013 O TYR A 66 16.516 -11.976 -1.015 1.00 0.00 O ATOM 1014 CB TYR A 66 16.842 -11.068 1.972 1.00 0.00 C ATOM 1015 CG TYR A 66 16.446 -10.160 3.128 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.876 -8.897 2.866 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.610 -10.589 4.460 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.476 -8.065 3.927 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.215 -9.761 5.526 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.647 -8.492 5.264 1.00 0.00 C ATOM 1021 OH TYR A 66 15.272 -7.673 6.285 1.00 0.00 O ATOM 0 H TYR A 66 15.094 -12.433 3.007 1.00 0.00 H new ATOM 0 HA TYR A 66 15.129 -10.748 0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.409 -11.913 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.505 -10.522 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.746 -8.567 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.041 -11.558 4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.038 -7.100 3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.345 -10.094 6.545 1.00 0.00 H new ATOM 0 HH TYR A 66 15.454 -8.113 7.141 1.00 0.00 H new ATOM 1031 N ASP A 67 15.932 -13.822 0.128 1.00 0.00 N ATOM 1032 CA ASP A 67 16.138 -14.725 -1.003 1.00 0.00 C ATOM 1033 C ASP A 67 14.911 -14.715 -1.916 1.00 0.00 C ATOM 1034 O ASP A 67 15.059 -14.626 -3.134 1.00 0.00 O ATOM 1035 CB ASP A 67 16.421 -16.153 -0.530 1.00 0.00 C ATOM 1036 CG ASP A 67 16.651 -17.073 -1.740 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.768 -17.061 -2.305 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.728 -17.821 -2.124 1.00 0.00 O ATOM 0 H ASP A 67 15.673 -14.290 0.996 1.00 0.00 H new ATOM 0 HA ASP A 67 17.006 -14.372 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.298 -16.163 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.584 -16.521 0.063 1.00 0.00 H new ATOM 1043 N VAL A 68 13.700 -14.730 -1.346 1.00 0.00 N ATOM 1044 CA VAL A 68 12.453 -14.694 -2.110 1.00 0.00 C ATOM 1045 C VAL A 68 12.348 -13.372 -2.888 1.00 0.00 C ATOM 1046 O VAL A 68 12.043 -13.387 -4.085 1.00 0.00 O ATOM 1047 CB VAL A 68 11.241 -14.944 -1.177 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.937 -15.029 -1.983 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.396 -16.274 -0.417 1.00 0.00 C ATOM 0 H VAL A 68 13.560 -14.768 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 68 12.450 -15.497 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 68 11.204 -14.108 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.101 -15.205 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.779 -14.093 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.004 -15.849 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.533 -16.426 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.463 -17.095 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.302 -16.244 0.188 1.00 0.00 H new ATOM 1059 N ALA A 69 12.658 -12.242 -2.244 1.00 0.00 N ATOM 1060 CA ALA A 69 12.708 -10.924 -2.870 1.00 0.00 C ATOM 1061 C ALA A 69 13.986 -10.716 -3.700 1.00 0.00 C ATOM 1062 O ALA A 69 14.161 -9.644 -4.282 1.00 0.00 O ATOM 1063 CB ALA A 69 12.557 -9.836 -1.799 1.00 0.00 C ATOM 0 H ALA A 69 12.886 -12.222 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 69 11.875 -10.854 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.595 -8.854 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.601 -9.957 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.368 -9.923 -1.075 1.00 0.00 H new ATOM 1069 N GLY A 70 14.865 -11.721 -3.788 1.00 0.00 N ATOM 1070 CA GLY A 70 16.081 -11.720 -4.594 1.00 0.00 C ATOM 1071 C GLY A 70 15.751 -11.956 -6.068 1.00 0.00 C ATOM 1072 O GLY A 70 16.291 -12.873 -6.691 1.00 0.00 O ATOM 0 H GLY A 70 14.738 -12.593 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.598 -10.767 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.759 -12.496 -4.239 1.00 0.00 H new ATOM 1076 N SER A 71 14.823 -11.164 -6.600 1.00 0.00 N ATOM 1077 CA SER A 71 14.274 -11.268 -7.943 1.00 0.00 C ATOM 1078 C SER A 71 14.101 -9.850 -8.485 1.00 0.00 C ATOM 1079 O SER A 71 14.690 -9.509 -9.512 1.00 0.00 O ATOM 1080 CB SER A 71 12.973 -12.082 -7.900 1.00 0.00 C ATOM 1081 OG SER A 71 12.213 -11.823 -6.722 1.00 0.00 O ATOM 0 H SER A 71 14.414 -10.392 -6.074 1.00 0.00 H new ATOM 0 HA SER A 71 14.938 -11.802 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.371 -11.847 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.210 -13.145 -7.951 1.00 0.00 H new ATOM 0 HG SER A 71 12.400 -12.515 -6.053 1.00 0.00 H new ATOM 1087 N ASP A 72 13.376 -9.003 -7.752 1.00 0.00 N ATOM 1088 CA ASP A 72 13.338 -7.563 -7.972 1.00 0.00 C ATOM 1089 C ASP A 72 13.078 -6.811 -6.682 1.00 0.00 C ATOM 1090 O ASP A 72 13.981 -6.129 -6.192 1.00 0.00 O ATOM 1091 CB ASP A 72 12.384 -7.162 -9.104 1.00 0.00 C ATOM 1092 CG ASP A 72 12.411 -5.648 -9.387 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.461 -4.992 -9.186 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.376 -5.112 -9.841 1.00 0.00 O ATOM 0 H ASP A 72 12.789 -9.308 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 72 14.329 -7.265 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.653 -7.703 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.369 -7.462 -8.843 1.00 0.00 H new ATOM 1099 N LYS A 73 11.887 -6.943 -6.109 1.00 0.00 N ATOM 1100 CA LYS A 73 11.427 -6.091 -5.010 1.00 0.00 C ATOM 1101 C LYS A 73 10.368 -6.820 -4.187 1.00 0.00 C ATOM 1102 O LYS A 73 9.934 -7.911 -4.549 1.00 0.00 O ATOM 1103 CB LYS A 73 10.819 -4.813 -5.631 1.00 0.00 C ATOM 1104 CG LYS A 73 11.768 -3.783 -6.251 1.00 0.00 C ATOM 1105 CD LYS A 73 12.895 -3.240 -5.360 1.00 0.00 C ATOM 1106 CE LYS A 73 14.000 -2.581 -6.205 1.00 0.00 C ATOM 1107 NZ LYS A 73 14.700 -3.552 -7.087 1.00 0.00 N ATOM 0 H LYS A 73 11.206 -7.648 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 73 12.258 -5.841 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.114 -5.122 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.242 -4.309 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.222 -4.231 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.171 -2.938 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.489 -2.513 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.320 -4.052 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.563 -1.791 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.726 -2.108 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.682 -3.243 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.695 -4.492 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.213 -3.601 -8.005 1.00 0.00 H new ATOM 1121 N TYR A 74 9.905 -6.205 -3.099 1.00 0.00 N ATOM 1122 CA TYR A 74 8.775 -6.691 -2.312 1.00 0.00 C ATOM 1123 C TYR A 74 8.125 -5.552 -1.522 1.00 0.00 C ATOM 1124 O TYR A 74 8.733 -4.490 -1.363 1.00 0.00 O ATOM 1125 CB TYR A 74 9.249 -7.793 -1.355 1.00 0.00 C ATOM 1126 CG TYR A 74 10.003 -7.297 -0.125 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.315 -6.789 -0.230 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.357 -7.287 1.128 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.967 -6.259 0.900 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.011 -6.784 2.266 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.316 -6.255 2.155 1.00 0.00 C ATOM 1132 OH TYR A 74 11.920 -5.739 3.259 1.00 0.00 O ATOM 0 H TYR A 74 10.311 -5.343 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 74 8.028 -7.098 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.382 -8.365 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.893 -8.479 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.823 -6.807 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.351 -7.669 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.965 -5.855 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.516 -6.802 3.225 1.00 0.00 H new ATOM 0 HH TYR A 74 12.616 -5.106 2.985 1.00 0.00 H new ATOM 1142 N GLN A 75 6.909 -5.779 -1.014 1.00 0.00 N ATOM 1143 CA GLN A 75 6.235 -4.909 -0.051 1.00 0.00 C ATOM 1144 C GLN A 75 5.180 -5.702 0.733 1.00 0.00 C ATOM 1145 O GLN A 75 4.766 -6.780 0.305 1.00 0.00 O ATOM 1146 CB GLN A 75 5.638 -3.664 -0.743 1.00 0.00 C ATOM 1147 CG GLN A 75 4.609 -3.951 -1.851 1.00 0.00 C ATOM 1148 CD GLN A 75 4.196 -2.692 -2.624 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.342 -1.561 -2.165 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.679 -2.853 -3.830 1.00 0.00 N ATOM 0 H GLN A 75 6.354 -6.595 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 75 6.971 -4.542 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.165 -3.040 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.454 -3.082 -1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.026 -4.678 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.723 -4.406 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.557 -3.791 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.402 -2.039 -4.379 1.00 0.00 H new ATOM 1159 N VAL A 76 4.734 -5.180 1.878 1.00 0.00 N ATOM 1160 CA VAL A 76 3.571 -5.704 2.588 1.00 0.00 C ATOM 1161 C VAL A 76 2.343 -5.330 1.752 1.00 0.00 C ATOM 1162 O VAL A 76 2.278 -4.227 1.200 1.00 0.00 O ATOM 1163 CB VAL A 76 3.496 -5.103 4.011 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.211 -5.489 4.763 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.682 -5.548 4.876 1.00 0.00 C ATOM 0 H VAL A 76 5.171 -4.381 2.337 1.00 0.00 H new ATOM 0 HA VAL A 76 3.629 -6.786 2.710 1.00 0.00 H new ATOM 0 HB VAL A 76 3.512 -4.024 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.220 -5.036 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.343 -5.132 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.158 -6.573 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.595 -5.106 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.682 -6.635 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.613 -5.220 4.413 1.00 0.00 H new ATOM 1175 N ASN A 77 1.354 -6.224 1.687 1.00 0.00 N ATOM 1176 CA ASN A 77 0.053 -5.936 1.083 1.00 0.00 C ATOM 1177 C ASN A 77 -1.014 -6.832 1.712 1.00 0.00 C ATOM 1178 O ASN A 77 -1.400 -7.851 1.139 1.00 0.00 O ATOM 1179 CB ASN A 77 0.099 -6.084 -0.447 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.211 -5.654 -1.114 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -2.170 -5.226 -0.474 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.263 -5.721 -2.431 1.00 0.00 N ATOM 0 H ASN A 77 1.434 -7.172 2.054 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.208 -4.897 1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.919 -5.485 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.310 -7.122 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.102 -5.417 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.464 -6.077 -2.955 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.441 -6.495 2.933 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.486 -7.223 3.658 1.00 0.00 C ATOM 1191 C ASN A 78 -3.844 -6.974 2.997 1.00 0.00 C ATOM 1192 O ASN A 78 -4.602 -6.102 3.431 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.528 -6.829 5.145 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.331 -7.323 5.938 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -0.954 -8.482 5.831 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.722 -6.472 6.745 1.00 0.00 N ATOM 0 H ASN A 78 -1.066 -5.700 3.451 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.252 -8.287 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.582 -5.743 5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.439 -7.227 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.081 -6.777 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.055 -5.511 6.817 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.146 -7.699 1.916 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.368 -7.485 1.140 1.00 0.00 C ATOM 1205 C LYS A 79 -6.597 -7.603 2.041 1.00 0.00 C ATOM 1206 O LYS A 79 -6.745 -8.588 2.767 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.458 -8.451 -0.054 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.368 -8.159 -1.101 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.561 -8.909 -2.428 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.832 -8.457 -3.167 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.895 -8.982 -4.551 1.00 0.00 N ATOM 0 H LYS A 79 -3.553 -8.447 1.557 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.335 -6.475 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.359 -9.477 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.441 -8.367 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.348 -7.088 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.397 -8.424 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.693 -8.745 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.616 -9.980 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.710 -8.791 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.867 -7.368 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.826 -8.766 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.151 -8.537 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.753 -10.012 -4.538 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.470 -6.596 1.969 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.736 -6.477 2.695 1.00 0.00 C ATOM 1227 C HIS A 80 -8.611 -6.420 4.214 1.00 0.00 C ATOM 1228 O HIS A 80 -9.616 -6.578 4.907 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.757 -7.527 2.255 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.944 -7.636 0.759 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.730 -8.789 -0.005 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -10.321 -6.618 -0.070 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.989 -8.436 -1.276 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -10.345 -7.141 -1.344 1.00 0.00 N ATOM 0 H HIS A 80 -7.301 -5.792 1.365 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.111 -5.494 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.448 -8.499 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.719 -7.293 2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.554 -5.603 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.921 -9.100 -2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.591 -6.633 -2.194 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.438 -6.088 4.754 1.00 0.00 N ATOM 1243 CA ASP A 81 -7.265 -5.754 6.181 1.00 0.00 C ATOM 1244 C ASP A 81 -8.127 -4.543 6.596 1.00 0.00 C ATOM 1245 O ASP A 81 -8.223 -4.201 7.773 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.777 -5.486 6.438 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.457 -4.977 7.855 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.477 -5.778 8.816 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -5.101 -3.785 8.002 1.00 0.00 O ATOM 0 H ASP A 81 -6.572 -6.041 4.217 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.602 -6.594 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.219 -6.406 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.422 -4.753 5.713 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.787 -3.899 5.627 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.661 -2.749 5.851 1.00 0.00 C ATOM 1256 C ASP A 82 -11.018 -3.199 6.397 1.00 0.00 C ATOM 1257 O ASP A 82 -11.696 -2.437 7.087 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.860 -1.994 4.531 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.798 -0.787 4.704 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -10.393 0.214 5.338 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.928 -0.815 4.167 1.00 0.00 O ATOM 0 H ASP A 82 -8.725 -4.171 4.646 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.194 -2.092 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.894 -1.654 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.272 -2.671 3.783 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.404 -4.448 6.106 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.739 -4.971 6.349 1.00 0.00 C ATOM 1268 C LYS A 83 -12.752 -6.329 7.040 1.00 0.00 C ATOM 1269 O LYS A 83 -13.705 -6.601 7.773 1.00 0.00 O ATOM 1270 CB LYS A 83 -13.489 -4.996 5.013 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.805 -5.782 3.881 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.699 -5.951 2.642 1.00 0.00 C ATOM 1273 CE LYS A 83 -14.029 -4.606 1.974 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.872 -4.772 0.763 1.00 0.00 N ATOM 0 H LYS A 83 -10.776 -5.133 5.685 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.245 -4.311 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.478 -5.422 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.636 -3.969 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.887 -5.269 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.517 -6.766 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.200 -6.599 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.625 -6.448 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.545 -3.965 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.102 -4.100 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.069 -3.840 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.370 -5.362 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.768 -5.231 1.024 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.713 -7.148 6.868 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.633 -8.469 7.489 1.00 0.00 C ATOM 1290 C TYR A 84 -10.224 -8.790 7.975 1.00 0.00 C ATOM 1291 O TYR A 84 -9.250 -8.523 7.275 1.00 0.00 O ATOM 1292 CB TYR A 84 -12.065 -9.549 6.490 1.00 0.00 C ATOM 1293 CG TYR A 84 -13.522 -9.496 6.083 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -14.524 -9.792 7.028 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -13.875 -9.168 4.762 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.880 -9.751 6.657 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -15.229 -9.126 4.382 1.00 0.00 C ATOM 1298 CZ TYR A 84 -16.239 -9.415 5.330 1.00 0.00 C ATOM 1299 OH TYR A 84 -17.546 -9.369 4.950 1.00 0.00 O ATOM 0 H TYR A 84 -10.903 -6.913 6.294 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.301 -8.456 8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.450 -9.462 5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.860 -10.528 6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.250 -10.051 8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.105 -8.948 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.646 -9.976 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.497 -8.873 3.367 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.603 -9.120 4.004 1.00 0.00 H new ATOM 1309 N SER A 85 -10.162 -9.455 9.132 1.00 0.00 N ATOM 1310 CA SER A 85 -8.988 -10.045 9.776 1.00 0.00 C ATOM 1311 C SER A 85 -9.492 -11.064 10.818 1.00 0.00 C ATOM 1312 O SER A 85 -9.416 -10.806 12.022 1.00 0.00 O ATOM 1313 CB SER A 85 -8.114 -8.987 10.464 1.00 0.00 C ATOM 1314 OG SER A 85 -7.583 -8.052 9.544 1.00 0.00 O ATOM 0 H SER A 85 -11.004 -9.606 9.688 1.00 0.00 H new ATOM 0 HA SER A 85 -8.368 -10.523 9.018 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.705 -8.461 11.213 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.297 -9.480 10.991 1.00 0.00 H new ATOM 0 HG SER A 85 -7.035 -7.396 10.024 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.082 -12.196 10.397 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.707 -13.145 11.316 1.00 0.00 C ATOM 1322 C PRO A 86 -9.706 -13.875 12.223 1.00 0.00 C ATOM 1323 O PRO A 86 -10.126 -14.510 13.193 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.448 -14.146 10.429 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.703 -14.087 9.102 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.245 -12.634 9.020 1.00 0.00 C ATOM 0 HA PRO A 86 -11.366 -12.612 12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.426 -15.149 10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.497 -13.874 10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.859 -14.776 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.350 -14.353 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.309 -12.549 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.979 -12.021 8.498 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.406 -13.821 11.913 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.378 -14.620 12.572 1.00 0.00 C ATOM 1336 C LEU A 87 -6.329 -13.673 13.163 1.00 0.00 C ATOM 1337 O LEU A 87 -5.802 -12.842 12.417 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.738 -15.586 11.555 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.700 -16.659 11.002 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.020 -17.439 9.876 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.166 -17.639 12.083 1.00 0.00 C ATOM 0 H LEU A 87 -8.037 -13.210 11.185 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.815 -15.216 13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.342 -15.006 10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.891 -16.084 12.028 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.579 -16.136 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.705 -18.194 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.746 -16.755 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.123 -17.925 10.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.840 -18.373 11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.302 -18.149 12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.688 -17.093 12.869 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.012 -13.769 14.468 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.901 -13.031 15.056 1.00 0.00 C ATOM 1355 C PRO A 88 -3.580 -13.611 14.543 1.00 0.00 C ATOM 1356 O PRO A 88 -3.539 -14.747 14.058 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.061 -13.190 16.570 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.725 -14.557 16.708 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.609 -14.650 15.464 1.00 0.00 C ATOM 0 HA PRO A 88 -4.897 -11.974 14.788 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.100 -13.156 17.082 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.677 -12.398 16.995 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.989 -15.360 16.738 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.312 -14.628 17.624 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.656 -15.675 15.097 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.631 -14.345 15.690 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.494 -12.844 14.683 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.194 -13.157 14.094 1.00 0.00 C ATOM 1369 C CYS A 89 -0.756 -14.597 14.369 1.00 0.00 C ATOM 1370 O CYS A 89 -0.374 -15.292 13.432 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.140 -12.132 14.543 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.152 -11.883 16.347 1.00 0.00 S ATOM 0 H CYS A 89 -2.497 -11.975 15.218 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.296 -13.083 13.011 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.849 -12.468 14.230 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.325 -11.180 14.045 1.00 0.00 H new ATOM 0 HG CYS A 89 0.757 -11.012 16.671 1.00 0.00 H new ATOM 1378 N SER A 90 -0.881 -15.072 15.609 1.00 0.00 N ATOM 1379 CA SER A 90 -0.480 -16.415 16.013 1.00 0.00 C ATOM 1380 C SER A 90 -1.101 -17.499 15.128 1.00 0.00 C ATOM 1381 O SER A 90 -0.403 -18.391 14.653 1.00 0.00 O ATOM 1382 CB SER A 90 -0.853 -16.623 17.488 1.00 0.00 C ATOM 1383 OG SER A 90 -0.488 -15.489 18.265 1.00 0.00 O ATOM 0 H SER A 90 -1.272 -14.521 16.373 1.00 0.00 H new ATOM 0 HA SER A 90 0.599 -16.505 15.890 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.925 -16.800 17.575 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.351 -17.511 17.873 1.00 0.00 H new ATOM 0 HG SER A 90 -0.735 -15.640 19.201 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.401 -17.401 14.847 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.120 -18.353 14.007 1.00 0.00 C ATOM 1391 C LYS A 91 -2.638 -18.299 12.559 1.00 0.00 C ATOM 1392 O LYS A 91 -2.616 -19.336 11.900 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.630 -18.147 14.114 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.100 -18.456 15.546 1.00 0.00 C ATOM 1395 CD LYS A 91 -6.583 -18.819 15.563 1.00 0.00 C ATOM 1396 CE LYS A 91 -7.044 -19.059 17.008 1.00 0.00 C ATOM 1397 NZ LYS A 91 -8.473 -19.452 17.087 1.00 0.00 N ATOM 0 H LYS A 91 -2.990 -16.648 15.202 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.901 -19.355 14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.885 -17.120 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.145 -18.795 13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.515 -19.279 15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.925 -17.591 16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.168 -18.017 15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.755 -19.713 14.964 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.430 -19.839 17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.886 -18.153 17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.737 -19.603 18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.063 -18.697 16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.621 -20.332 16.552 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.206 -17.139 12.062 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.615 -17.032 10.733 1.00 0.00 C ATOM 1413 C ILE A 92 -0.307 -17.834 10.707 1.00 0.00 C ATOM 1414 O ILE A 92 -0.104 -18.634 9.792 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.395 -15.551 10.342 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.676 -14.708 10.551 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.914 -15.484 8.886 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.478 -13.217 10.281 1.00 0.00 C ATOM 0 H ILE A 92 -2.257 -16.255 12.568 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.296 -17.449 9.991 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.633 -15.123 10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.461 -15.086 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.025 -14.840 11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.757 -14.443 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.022 -16.033 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.666 -15.928 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.417 -12.689 10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.716 -12.823 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.159 -13.073 9.249 1.00 0.00 H new ATOM 1430 N ILE A 93 0.557 -17.670 11.717 1.00 0.00 N ATOM 1431 CA ILE A 93 1.787 -18.451 11.831 1.00 0.00 C ATOM 1432 C ILE A 93 1.431 -19.938 11.883 1.00 0.00 C ATOM 1433 O ILE A 93 2.005 -20.730 11.145 1.00 0.00 O ATOM 1434 CB ILE A 93 2.616 -18.045 13.074 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.818 -16.530 13.264 1.00 0.00 C ATOM 1436 CG2 ILE A 93 3.981 -18.742 13.029 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.411 -15.783 12.065 1.00 0.00 C ATOM 0 H ILE A 93 0.421 -16.996 12.471 1.00 0.00 H new ATOM 0 HA ILE A 93 2.407 -18.249 10.958 1.00 0.00 H new ATOM 0 HB ILE A 93 2.027 -18.368 13.933 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.855 -16.082 13.508 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.469 -16.374 14.124 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.565 -18.456 13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.838 -19.823 13.026 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.512 -18.444 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.510 -14.725 12.308 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.392 -16.194 11.829 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.753 -15.897 11.203 1.00 0.00 H new ATOM 1449 N GLN A 94 0.461 -20.314 12.719 1.00 0.00 N ATOM 1450 CA GLN A 94 0.015 -21.693 12.876 1.00 0.00 C ATOM 1451 C GLN A 94 -0.421 -22.284 11.533 1.00 0.00 C ATOM 1452 O GLN A 94 -0.055 -23.412 11.217 1.00 0.00 O ATOM 1453 CB GLN A 94 -1.136 -21.761 13.894 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.687 -21.672 15.361 1.00 0.00 C ATOM 1455 CD GLN A 94 0.231 -22.825 15.778 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.299 -22.615 16.347 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -0.145 -24.064 15.497 1.00 0.00 N ATOM 0 H GLN A 94 -0.042 -19.656 13.314 1.00 0.00 H new ATOM 0 HA GLN A 94 0.851 -22.286 13.248 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.835 -20.950 13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.680 -22.694 13.748 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.168 -20.727 15.519 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.567 -21.665 16.004 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.033 -24.233 15.024 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.454 -24.849 15.753 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.165 -21.524 10.724 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.580 -21.962 9.390 1.00 0.00 C ATOM 1468 C ARG A 95 -0.354 -22.182 8.502 1.00 0.00 C ATOM 1469 O ARG A 95 -0.229 -23.229 7.868 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.537 -20.934 8.775 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.924 -20.962 9.440 1.00 0.00 C ATOM 1472 CD ARG A 95 -5.010 -21.472 8.489 1.00 0.00 C ATOM 1473 NE ARG A 95 -4.776 -22.845 8.003 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.049 -23.306 6.775 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -5.479 -22.516 5.795 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -4.881 -24.597 6.540 1.00 0.00 N ATOM 0 H ARG A 95 -1.495 -20.592 10.975 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.110 -22.911 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.109 -19.937 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.643 -21.131 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.889 -21.599 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.183 -19.959 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.973 -21.436 8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.076 -20.800 7.634 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.368 -23.506 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.612 -21.519 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.676 -22.907 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.552 -25.212 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.081 -24.977 5.615 1.00 0.00 H new ATOM 1490 N ALA A 96 0.578 -21.228 8.476 1.00 0.00 N ATOM 1491 CA ALA A 96 1.782 -21.340 7.661 1.00 0.00 C ATOM 1492 C ALA A 96 2.593 -22.582 8.059 1.00 0.00 C ATOM 1493 O ALA A 96 3.029 -23.355 7.206 1.00 0.00 O ATOM 1494 CB ALA A 96 2.603 -20.053 7.804 1.00 0.00 C ATOM 0 H ALA A 96 0.518 -20.364 9.015 1.00 0.00 H new ATOM 0 HA ALA A 96 1.509 -21.464 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.506 -20.128 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.009 -19.203 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.879 -19.912 8.849 1.00 0.00 H new ATOM 1500 N GLU A 97 2.744 -22.803 9.363 1.00 0.00 N ATOM 1501 CA GLU A 97 3.484 -23.914 9.948 1.00 0.00 C ATOM 1502 C GLU A 97 2.771 -25.260 9.749 1.00 0.00 C ATOM 1503 O GLU A 97 3.420 -26.304 9.824 1.00 0.00 O ATOM 1504 CB GLU A 97 3.701 -23.649 11.449 1.00 0.00 C ATOM 1505 CG GLU A 97 4.712 -22.528 11.741 1.00 0.00 C ATOM 1506 CD GLU A 97 6.162 -22.912 11.396 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.697 -23.888 11.970 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.801 -22.204 10.585 1.00 0.00 O ATOM 0 H GLU A 97 2.337 -22.187 10.067 1.00 0.00 H new ATOM 0 HA GLU A 97 4.444 -23.981 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.745 -23.391 11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.044 -24.568 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.434 -21.640 11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.655 -22.262 12.797 1.00 0.00 H new ATOM 1515 N GLU A 98 1.462 -25.271 9.487 1.00 0.00 N ATOM 1516 CA GLU A 98 0.692 -26.467 9.229 1.00 0.00 C ATOM 1517 C GLU A 98 0.906 -26.896 7.770 1.00 0.00 C ATOM 1518 O GLU A 98 0.854 -28.088 7.458 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.770 -26.138 9.595 1.00 0.00 C ATOM 1520 CG GLU A 98 -1.822 -26.980 8.885 1.00 0.00 C ATOM 1521 CD GLU A 98 -3.241 -26.613 9.352 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -3.807 -25.617 8.844 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -3.807 -27.329 10.210 1.00 0.00 O ATOM 0 H GLU A 98 0.903 -24.419 9.450 1.00 0.00 H new ATOM 0 HA GLU A 98 1.002 -27.322 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.895 -26.261 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.956 -25.088 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.742 -26.833 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.636 -28.037 9.077 1.00 0.00 H new ATOM 1530 N LEU A 99 1.180 -25.935 6.879 1.00 0.00 N ATOM 1531 CA LEU A 99 1.176 -26.171 5.441 1.00 0.00 C ATOM 1532 C LEU A 99 2.572 -26.239 4.829 1.00 0.00 C ATOM 1533 O LEU A 99 2.699 -26.821 3.756 1.00 0.00 O ATOM 1534 CB LEU A 99 0.332 -25.097 4.746 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.137 -25.068 5.214 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.841 -23.893 4.541 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.898 -26.356 4.882 1.00 0.00 C ATOM 0 H LEU A 99 1.409 -24.976 7.140 1.00 0.00 H new ATOM 0 HA LEU A 99 0.735 -27.155 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.781 -24.120 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.358 -25.266 3.670 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.131 -24.967 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.882 -23.860 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.345 -22.963 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.800 -24.016 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.925 -26.273 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.898 -26.511 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.413 -27.201 5.370 1.00 0.00 H new ATOM 1549 N VAL A 100 3.617 -25.693 5.460 1.00 0.00 N ATOM 1550 CA VAL A 100 4.988 -25.856 4.975 1.00 0.00 C ATOM 1551 C VAL A 100 5.290 -27.350 4.759 1.00 0.00 C ATOM 1552 O VAL A 100 4.974 -28.193 5.604 1.00 0.00 O ATOM 1553 CB VAL A 100 5.990 -25.120 5.892 1.00 0.00 C ATOM 1554 CG1 VAL A 100 5.977 -25.607 7.348 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.423 -25.203 5.339 1.00 0.00 C ATOM 0 H VAL A 100 3.537 -25.134 6.309 1.00 0.00 H new ATOM 0 HA VAL A 100 5.102 -25.381 4.001 1.00 0.00 H new ATOM 0 HB VAL A 100 5.654 -24.083 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.707 -25.042 7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.984 -25.459 7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.231 -26.667 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.102 -24.675 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.725 -26.248 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.459 -24.745 4.351 1.00 0.00 H new ATOM 1565 N GLY A 101 5.880 -27.676 3.606 1.00 0.00 N ATOM 1566 CA GLY A 101 6.226 -29.033 3.213 1.00 0.00 C ATOM 1567 C GLY A 101 5.076 -29.783 2.536 1.00 0.00 C ATOM 1568 O GLY A 101 5.300 -30.905 2.079 1.00 0.00 O ATOM 0 H GLY A 101 6.135 -26.980 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.078 -29.000 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.543 -29.589 4.095 1.00 0.00 H new ATOM 1572 N GLN A 102 3.865 -29.212 2.455 1.00 0.00 N ATOM 1573 CA GLN A 102 2.764 -29.828 1.722 1.00 0.00 C ATOM 1574 C GLN A 102 2.867 -29.465 0.244 1.00 0.00 C ATOM 1575 O GLN A 102 3.577 -28.534 -0.149 1.00 0.00 O ATOM 1576 CB GLN A 102 1.390 -29.448 2.305 1.00 0.00 C ATOM 1577 CG GLN A 102 1.186 -30.117 3.672 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.257 -30.033 4.180 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.206 -30.352 3.467 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.476 -29.641 5.426 1.00 0.00 N ATOM 0 H GLN A 102 3.629 -28.321 2.892 1.00 0.00 H new ATOM 0 HA GLN A 102 2.847 -30.910 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.318 -28.365 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.599 -29.756 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.479 -31.165 3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.848 -29.648 4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.308 -29.375 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.428 -29.605 5.789 1.00 0.00 H new ATOM 1589 N GLU A 103 2.128 -30.209 -0.572 1.00 0.00 N ATOM 1590 CA GLU A 103 2.192 -30.142 -2.024 1.00 0.00 C ATOM 1591 C GLU A 103 0.841 -29.691 -2.565 1.00 0.00 C ATOM 1592 O GLU A 103 -0.202 -29.996 -1.976 1.00 0.00 O ATOM 1593 CB GLU A 103 2.550 -31.513 -2.627 1.00 0.00 C ATOM 1594 CG GLU A 103 3.682 -32.287 -1.931 1.00 0.00 C ATOM 1595 CD GLU A 103 4.030 -33.567 -2.706 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.522 -33.466 -3.853 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.808 -34.681 -2.177 1.00 0.00 O ATOM 0 H GLU A 103 1.451 -30.892 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 103 2.968 -29.430 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.655 -32.135 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.827 -31.366 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.566 -31.654 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.381 -32.543 -0.915 1.00 0.00 H new ATOM 1604 N VAL A 104 0.854 -29.018 -3.714 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.335 -28.607 -4.429 1.00 0.00 C ATOM 1606 C VAL A 104 -0.128 -28.896 -5.912 1.00 0.00 C ATOM 1607 O VAL A 104 0.975 -28.749 -6.441 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.615 -27.120 -4.170 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.135 -26.879 -2.743 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.584 -26.195 -4.430 1.00 0.00 C ATOM 0 H VAL A 104 1.718 -28.740 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.206 -29.163 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.385 -26.861 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.321 -25.815 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.062 -27.433 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.391 -27.218 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.299 -25.163 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.411 -26.481 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.893 -26.284 -5.472 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.193 -29.293 -6.605 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.121 -29.740 -7.995 1.00 0.00 C ATOM 1622 C LEU A 105 -1.680 -28.654 -8.908 1.00 0.00 C ATOM 1623 O LEU A 105 -2.601 -28.847 -9.704 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.807 -31.086 -8.186 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.217 -32.256 -7.370 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.950 -33.551 -7.727 1.00 0.00 C ATOM 1627 CD2 LEU A 105 0.289 -32.453 -7.598 1.00 0.00 C ATOM 0 H LEU A 105 -2.136 -29.314 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.078 -29.901 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.859 -30.978 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.767 -31.347 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.355 -32.006 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.532 -34.376 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.010 -33.445 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.831 -33.755 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.642 -33.290 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.473 -32.661 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.822 -31.548 -7.308 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.109 -27.481 -8.704 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.227 -26.309 -9.549 1.00 0.00 C ATOM 1641 C TYR A 106 0.133 -25.615 -9.582 1.00 0.00 C ATOM 1642 O TYR A 106 0.896 -25.667 -8.613 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.352 -25.378 -9.074 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.337 -24.941 -7.614 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.347 -24.062 -7.126 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.367 -25.369 -6.752 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.390 -23.613 -5.794 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.425 -24.911 -5.424 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.441 -24.021 -4.941 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.517 -23.561 -3.661 1.00 0.00 O ATOM 0 H TYR A 106 -0.514 -27.312 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.505 -26.602 -10.561 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.330 -24.481 -9.693 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.303 -25.875 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.552 -23.732 -7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.118 -26.055 -7.115 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.619 -22.955 -5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.222 -25.240 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.304 -23.945 -3.222 1.00 0.00 H new ATOM 1660 N LYS A 107 0.449 -24.983 -10.709 1.00 0.00 N ATOM 1661 CA LYS A 107 1.673 -24.236 -10.932 1.00 0.00 C ATOM 1662 C LYS A 107 1.794 -23.000 -10.041 1.00 0.00 C ATOM 1663 O LYS A 107 0.802 -22.503 -9.503 1.00 0.00 O ATOM 1664 CB LYS A 107 1.611 -23.743 -12.389 1.00 0.00 C ATOM 1665 CG LYS A 107 2.976 -23.725 -13.068 1.00 0.00 C ATOM 1666 CD LYS A 107 2.895 -22.980 -14.409 1.00 0.00 C ATOM 1667 CE LYS A 107 4.210 -23.058 -15.196 1.00 0.00 C ATOM 1668 NZ LYS A 107 4.352 -24.332 -15.944 1.00 0.00 N ATOM 0 H LYS A 107 -0.168 -24.980 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 107 2.521 -24.884 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.937 -24.385 -12.956 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.187 -22.739 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.706 -23.241 -12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.322 -24.746 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.089 -23.402 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.644 -21.935 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.261 -22.223 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.048 -22.950 -14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.324 -24.417 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.146 -25.131 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.686 -24.342 -16.742 1.00 0.00 H new ATOM 1682 N LEU A 108 3.002 -22.438 -9.987 1.00 0.00 N ATOM 1683 CA LEU A 108 3.236 -21.113 -9.432 1.00 0.00 C ATOM 1684 C LEU A 108 2.555 -20.117 -10.373 1.00 0.00 C ATOM 1685 O LEU A 108 2.862 -20.102 -11.566 1.00 0.00 O ATOM 1686 CB LEU A 108 4.743 -20.765 -9.379 1.00 0.00 C ATOM 1687 CG LEU A 108 5.661 -21.577 -8.448 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.087 -21.661 -7.036 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.976 -22.982 -8.979 1.00 0.00 C ATOM 0 H LEU A 108 3.847 -22.895 -10.330 1.00 0.00 H new ATOM 0 HA LEU A 108 2.847 -21.076 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.138 -20.854 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.829 -19.716 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 108 6.605 -21.032 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.759 -22.241 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.980 -20.657 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.111 -22.146 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.627 -23.500 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.049 -23.543 -9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.476 -22.903 -9.944 1.00 0.00 H new ATOM 1701 N THR A 109 1.676 -19.271 -9.844 1.00 0.00 N ATOM 1702 CA THR A 109 1.121 -18.112 -10.536 1.00 0.00 C ATOM 1703 C THR A 109 0.932 -17.022 -9.481 1.00 0.00 C ATOM 1704 O THR A 109 0.818 -17.328 -8.287 1.00 0.00 O ATOM 1705 CB THR A 109 -0.214 -18.428 -11.247 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.203 -18.834 -10.325 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.106 -19.511 -12.326 1.00 0.00 C ATOM 0 H THR A 109 1.320 -19.376 -8.894 1.00 0.00 H new ATOM 0 HA THR A 109 1.802 -17.792 -11.325 1.00 0.00 H new ATOM 0 HB THR A 109 -0.491 -17.492 -11.732 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.011 -18.295 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.085 -19.674 -12.777 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.598 -19.191 -13.094 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.245 -20.439 -11.876 1.00 0.00 H new ATOM 1715 N SER A 110 0.850 -15.760 -9.910 1.00 0.00 N ATOM 1716 CA SER A 110 0.518 -14.651 -9.029 1.00 0.00 C ATOM 1717 C SER A 110 -0.767 -14.951 -8.240 1.00 0.00 C ATOM 1718 O SER A 110 -0.798 -14.759 -7.025 1.00 0.00 O ATOM 1719 CB SER A 110 0.373 -13.385 -9.882 1.00 0.00 C ATOM 1720 OG SER A 110 1.567 -13.108 -10.594 1.00 0.00 O ATOM 0 H SER A 110 1.013 -15.484 -10.878 1.00 0.00 H new ATOM 0 HA SER A 110 1.311 -14.502 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.452 -13.508 -10.584 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.123 -12.539 -9.242 1.00 0.00 H new ATOM 0 HG SER A 110 2.305 -12.986 -9.961 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.797 -15.475 -8.914 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.074 -15.812 -8.299 1.00 0.00 C ATOM 1728 C GLU A 111 -2.916 -16.951 -7.302 1.00 0.00 C ATOM 1729 O GLU A 111 -3.386 -16.816 -6.177 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.088 -16.144 -9.404 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.487 -16.427 -8.843 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.520 -16.616 -9.967 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.703 -17.756 -10.453 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -7.173 -15.628 -10.373 1.00 0.00 O ATOM 0 H GLU A 111 -1.761 -15.677 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.447 -14.958 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.142 -15.312 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.741 -17.012 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.456 -17.322 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.795 -15.603 -8.200 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.251 -18.049 -7.666 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.204 -19.222 -6.800 1.00 0.00 C ATOM 1743 C ASN A 112 -1.460 -18.915 -5.507 1.00 0.00 C ATOM 1744 O ASN A 112 -1.889 -19.349 -4.435 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.559 -20.419 -7.517 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.492 -21.107 -8.514 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.715 -21.039 -8.408 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -1.945 -21.791 -9.504 1.00 0.00 N ATOM 0 H ASN A 112 -1.744 -18.148 -8.545 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.232 -19.488 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.666 -20.080 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.235 -21.147 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.538 -22.266 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.930 -21.844 -9.587 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.368 -18.152 -5.586 1.00 0.00 N ATOM 1756 CA CYS A 113 0.389 -17.781 -4.404 1.00 0.00 C ATOM 1757 C CYS A 113 -0.414 -16.799 -3.541 1.00 0.00 C ATOM 1758 O CYS A 113 -0.466 -16.976 -2.325 1.00 0.00 O ATOM 1759 CB CYS A 113 1.739 -17.198 -4.828 1.00 0.00 C ATOM 1760 SG CYS A 113 2.625 -18.421 -5.843 1.00 0.00 S ATOM 0 H CYS A 113 0.007 -17.782 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 113 0.577 -18.664 -3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.590 -16.278 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.330 -16.940 -3.949 1.00 0.00 H new ATOM 0 HG CYS A 113 2.194 -18.362 -7.068 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.068 -15.798 -4.149 1.00 0.00 N ATOM 1767 CA GLU A 114 -1.900 -14.833 -3.429 1.00 0.00 C ATOM 1768 C GLU A 114 -3.028 -15.559 -2.689 1.00 0.00 C ATOM 1769 O GLU A 114 -3.303 -15.284 -1.517 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.486 -13.811 -4.418 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.238 -12.676 -3.710 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.939 -11.744 -4.713 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.269 -11.067 -5.523 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -5.187 -11.650 -4.668 1.00 0.00 O ATOM 0 H GLU A 114 -1.032 -15.638 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.285 -14.308 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.681 -13.390 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.164 -14.320 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.977 -13.099 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.539 -12.099 -3.104 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.669 -16.500 -3.380 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.769 -17.288 -2.867 1.00 0.00 C ATOM 1783 C HIS A 115 -4.302 -18.100 -1.665 1.00 0.00 C ATOM 1784 O HIS A 115 -4.952 -18.056 -0.619 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.318 -18.171 -4.003 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.373 -17.515 -4.867 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -6.801 -16.182 -4.795 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -7.097 -18.158 -5.830 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -7.766 -16.060 -5.724 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.964 -17.228 -6.357 1.00 0.00 N ATOM 0 H HIS A 115 -3.423 -16.736 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.580 -16.647 -2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -4.487 -18.477 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.738 -19.078 -3.568 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.007 -19.194 -6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.307 -15.149 -5.932 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -8.641 -17.397 -7.101 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.156 -18.784 -1.767 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.624 -19.553 -0.653 1.00 0.00 C ATOM 1800 C PHE A 116 -2.386 -18.675 0.571 1.00 0.00 C ATOM 1801 O PHE A 116 -2.846 -19.028 1.653 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.338 -20.278 -1.065 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.490 -20.740 0.111 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -0.737 -21.975 0.739 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.550 -19.917 0.584 1.00 0.00 C ATOM 1806 CE1 PHE A 116 0.048 -22.369 1.838 1.00 0.00 C ATOM 1807 CE2 PHE A 116 1.310 -20.293 1.702 1.00 0.00 C ATOM 1808 CZ PHE A 116 1.056 -21.523 2.331 1.00 0.00 C ATOM 0 H PHE A 116 -2.585 -18.816 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.369 -20.300 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.599 -21.143 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.743 -19.614 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.526 -22.618 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.765 -18.986 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.125 -23.327 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.085 -19.641 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.635 -21.818 3.193 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.693 -17.545 0.429 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.371 -16.732 1.605 1.00 0.00 C ATOM 1820 C VAL A 117 -2.644 -16.141 2.237 1.00 0.00 C ATOM 1821 O VAL A 117 -2.718 -15.990 3.459 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.284 -15.679 1.318 1.00 0.00 C ATOM 1823 CG1 VAL A 117 1.019 -16.322 0.827 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.697 -14.596 0.317 1.00 0.00 C ATOM 0 H VAL A 117 -1.352 -17.178 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.931 -17.394 2.351 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.130 -15.194 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.759 -15.545 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.397 -17.004 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.828 -16.875 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.128 -13.898 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.949 -15.059 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.565 -14.059 0.700 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.681 -15.861 1.439 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.961 -15.387 1.967 1.00 0.00 C ATOM 1836 C ASN A 118 -5.668 -16.478 2.763 1.00 0.00 C ATOM 1837 O ASN A 118 -6.297 -16.180 3.780 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.857 -14.817 0.861 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.514 -13.350 0.633 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.143 -12.459 1.195 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.468 -13.066 -0.125 1.00 0.00 N ATOM 0 H ASN A 118 -3.656 -15.955 0.424 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.748 -14.568 2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.718 -15.381 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.906 -14.917 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.175 -12.097 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.954 -13.816 -0.587 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.469 -17.747 2.400 1.00 0.00 N ATOM 1849 CA GLU A 119 -5.894 -18.899 3.178 1.00 0.00 C ATOM 1850 C GLU A 119 -5.302 -18.926 4.595 1.00 0.00 C ATOM 1851 O GLU A 119 -5.748 -19.720 5.422 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.552 -20.196 2.424 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.687 -21.206 2.561 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.234 -22.639 2.242 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.262 -23.048 1.059 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -5.871 -23.369 3.194 1.00 0.00 O ATOM 0 H GLU A 119 -4.995 -18.002 1.534 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.974 -18.817 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.377 -19.977 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.629 -20.621 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.082 -21.170 3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.501 -20.927 1.892 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.317 -18.076 4.900 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.637 -18.027 6.184 1.00 0.00 C ATOM 1865 C LEU A 120 -4.072 -16.789 6.963 1.00 0.00 C ATOM 1866 O LEU A 120 -4.305 -16.893 8.163 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.109 -18.035 6.004 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.570 -18.973 4.908 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.052 -18.863 4.815 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.943 -20.441 5.088 1.00 0.00 C ATOM 0 H LEU A 120 -3.966 -17.386 4.236 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.914 -18.917 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.783 -17.019 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.651 -18.315 6.953 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.050 -18.637 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.314 -19.532 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.224 -17.837 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.392 -19.141 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.521 -21.026 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.547 -20.803 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.028 -20.544 5.085 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.205 -15.624 6.306 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.657 -14.399 6.976 1.00 0.00 C ATOM 1884 C ARG A 121 -6.165 -14.414 7.236 1.00 0.00 C ATOM 1885 O ARG A 121 -6.605 -13.924 8.274 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.263 -13.172 6.138 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.269 -11.893 6.990 1.00 0.00 C ATOM 1888 CD ARG A 121 -4.062 -10.635 6.141 1.00 0.00 C ATOM 1889 NE ARG A 121 -5.298 -10.193 5.467 1.00 0.00 N ATOM 1890 CZ ARG A 121 -6.340 -9.598 6.064 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -6.321 -9.320 7.362 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -7.411 -9.279 5.357 1.00 0.00 N ATOM 0 H ARG A 121 -4.005 -15.508 5.312 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.165 -14.345 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.272 -13.323 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.956 -13.060 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.216 -11.818 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.483 -11.955 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.692 -9.830 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.294 -10.829 5.392 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.365 -10.354 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.504 -9.560 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.124 -8.867 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.443 -9.486 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.205 -8.826 5.810 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.952 -14.969 6.312 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.415 -14.942 6.359 1.00 0.00 C ATOM 1908 C TYR A 122 -8.995 -16.361 6.470 1.00 0.00 C ATOM 1909 O TYR A 122 -10.174 -16.518 6.785 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.935 -14.135 5.152 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.444 -14.106 4.961 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -11.218 -13.125 5.608 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -11.075 -15.048 4.125 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.617 -13.104 5.452 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.471 -15.032 3.959 1.00 0.00 C ATOM 1916 CZ TYR A 122 -13.251 -14.062 4.627 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.605 -14.058 4.462 1.00 0.00 O ATOM 0 H TYR A 122 -6.584 -15.458 5.496 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.760 -14.434 7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.583 -13.108 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.483 -14.543 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.736 -12.384 6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.482 -15.788 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -13.206 -12.356 5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -12.947 -15.761 3.321 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.863 -14.787 3.860 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.182 -17.405 6.277 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.601 -18.793 6.463 1.00 0.00 C ATOM 1929 C GLY A 123 -9.145 -19.424 5.179 1.00 0.00 C ATOM 1930 O GLY A 123 -9.337 -20.639 5.136 1.00 0.00 O ATOM 0 H GLY A 123 -7.209 -17.307 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.754 -19.379 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.367 -18.836 7.237 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.369 -18.626 4.130 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.834 -19.057 2.814 1.00 0.00 C ATOM 1936 C VAL A 124 -9.144 -18.141 1.790 1.00 0.00 C ATOM 1937 O VAL A 124 -8.931 -16.960 2.081 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.379 -18.947 2.708 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -11.898 -19.739 1.497 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.146 -19.453 3.944 1.00 0.00 C ATOM 0 H VAL A 124 -9.224 -17.618 4.181 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.586 -20.103 2.633 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.566 -17.877 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.983 -19.649 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.453 -19.342 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.626 -20.789 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.217 -19.337 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.916 -20.506 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.848 -18.875 4.819 1.00 0.00 H new ATOM 1950 N ALA A 125 -8.770 -18.675 0.623 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.316 -17.871 -0.505 1.00 0.00 C ATOM 1952 C ALA A 125 -9.336 -16.774 -0.829 1.00 0.00 C ATOM 1953 O ALA A 125 -10.546 -17.079 -0.911 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.092 -18.770 -1.724 1.00 0.00 C ATOM 1955 OXT ALA A 125 -8.920 -15.619 -1.048 1.00 0.00 O ATOM 0 H ALA A 125 -8.775 -19.678 0.438 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.374 -17.391 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -7.753 -18.165 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.337 -19.520 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.026 -19.266 -1.987 1.00 0.00 H new TER 1961 ALA A 125