USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 542 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 14 CYS SG : rot 180:sc= -0.107 USER MOD Set 1.2: A 16 ASN : amide:sc= 0.0525 K(o=-0.054,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.0605 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 1.06 (180deg=-0.0929!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.427 USER MOD Single : A 13 SER OG : rot -44:sc= 0.00216 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 17 CYS SG : rot -175:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0204 (180deg=-0.286) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0411 F(o=-2.5!,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ 139:sc= 1 (180deg=-3.64!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 SER OG : rot 31:sc= 1.15 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= -0.61 (180deg=-0.702) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00711 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.258 K(o=0.26,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= 0.703 (180deg=-3.22!) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0578) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.186 -15.200 -5.572 1.00 7.31 N ATOM 2 CA MET A 1 -13.966 -13.819 -5.119 1.00 6.58 C ATOM 3 C MET A 1 -12.754 -13.295 -5.882 1.00 5.71 C ATOM 4 O MET A 1 -11.784 -14.039 -5.973 1.00 6.39 O ATOM 5 CB MET A 1 -13.710 -13.785 -3.600 1.00 7.82 C ATOM 6 CG MET A 1 -14.845 -13.122 -2.810 1.00 8.51 C ATOM 7 SD MET A 1 -14.579 -13.148 -1.018 1.00 10.45 S ATOM 8 CE MET A 1 -15.993 -12.173 -0.459 1.00 11.13 C ATOM 0 H1 MET A 1 -14.774 -15.704 -4.877 1.00 7.31 H new ATOM 0 H2 MET A 1 -14.670 -15.190 -6.493 1.00 7.31 H new ATOM 0 H3 MET A 1 -13.271 -15.684 -5.667 1.00 7.31 H new ATOM 0 HA MET A 1 -14.842 -13.199 -5.311 1.00 6.58 H new ATOM 0 HB2 MET A 1 -13.572 -14.804 -3.239 1.00 7.82 H new ATOM 0 HB3 MET A 1 -12.781 -13.249 -3.407 1.00 7.82 H new ATOM 0 HG2 MET A 1 -14.953 -12.089 -3.140 1.00 8.51 H new ATOM 0 HG3 MET A 1 -15.782 -13.629 -3.039 1.00 8.51 H new ATOM 0 HE1 MET A 1 -15.974 -12.095 0.628 1.00 11.13 H new ATOM 0 HE2 MET A 1 -15.942 -11.175 -0.895 1.00 11.13 H new ATOM 0 HE3 MET A 1 -16.917 -12.659 -0.772 1.00 11.13 H new ATOM 20 N ALA A 2 -12.843 -12.090 -6.453 1.00 4.68 N ATOM 21 CA ALA A 2 -11.781 -11.393 -7.172 1.00 4.12 C ATOM 22 C ALA A 2 -12.379 -10.068 -7.656 1.00 2.71 C ATOM 23 O ALA A 2 -13.459 -10.085 -8.242 1.00 3.54 O ATOM 24 CB ALA A 2 -11.268 -12.218 -8.362 1.00 5.34 C ATOM 0 H ALA A 2 -13.707 -11.548 -6.422 1.00 4.68 H new ATOM 0 HA ALA A 2 -10.924 -11.229 -6.518 1.00 4.12 H new ATOM 0 HB1 ALA A 2 -10.478 -11.667 -8.873 1.00 5.34 H new ATOM 0 HB2 ALA A 2 -10.873 -13.168 -8.003 1.00 5.34 H new ATOM 0 HB3 ALA A 2 -12.088 -12.405 -9.056 1.00 5.34 H new ATOM 30 N GLU A 3 -11.720 -8.945 -7.364 1.00 1.66 N ATOM 31 CA GLU A 3 -12.091 -7.578 -7.730 1.00 1.52 C ATOM 32 C GLU A 3 -10.936 -6.698 -7.226 1.00 1.14 C ATOM 33 O GLU A 3 -9.974 -7.219 -6.658 1.00 1.67 O ATOM 34 CB GLU A 3 -13.457 -7.168 -7.119 1.00 3.44 C ATOM 35 CG GLU A 3 -14.543 -6.809 -8.162 1.00 4.62 C ATOM 36 CD GLU A 3 -14.352 -5.450 -8.835 1.00 5.38 C ATOM 37 OE1 GLU A 3 -13.217 -4.946 -8.849 1.00 5.99 O ATOM 38 OE2 GLU A 3 -15.305 -4.860 -9.384 1.00 6.22 O ATOM 0 H GLU A 3 -10.852 -8.969 -6.828 1.00 1.66 H new ATOM 0 HA GLU A 3 -12.229 -7.470 -8.806 1.00 1.52 H new ATOM 0 HB2 GLU A 3 -13.823 -7.985 -6.498 1.00 3.44 H new ATOM 0 HB3 GLU A 3 -13.305 -6.312 -6.462 1.00 3.44 H new ATOM 0 HG2 GLU A 3 -14.560 -7.582 -8.931 1.00 4.62 H new ATOM 0 HG3 GLU A 3 -15.517 -6.824 -7.673 1.00 4.62 H new ATOM 45 N LYS A 4 -11.026 -5.383 -7.412 1.00 0.84 N ATOM 46 CA LYS A 4 -10.113 -4.420 -6.818 1.00 0.52 C ATOM 47 C LYS A 4 -10.551 -4.106 -5.391 1.00 0.51 C ATOM 48 O LYS A 4 -11.680 -4.397 -4.993 1.00 0.65 O ATOM 49 CB LYS A 4 -10.042 -3.144 -7.674 1.00 0.80 C ATOM 50 CG LYS A 4 -11.395 -2.428 -7.823 1.00 1.25 C ATOM 51 CD LYS A 4 -11.846 -2.391 -9.288 1.00 1.42 C ATOM 52 CE LYS A 4 -13.313 -1.930 -9.374 1.00 2.17 C ATOM 53 NZ LYS A 4 -14.080 -2.687 -10.384 1.00 3.79 N ATOM 0 H LYS A 4 -11.749 -4.954 -7.990 1.00 0.84 H new ATOM 0 HA LYS A 4 -9.112 -4.850 -6.784 1.00 0.52 H new ATOM 0 HB2 LYS A 4 -9.323 -2.456 -7.228 1.00 0.80 H new ATOM 0 HB3 LYS A 4 -9.665 -3.401 -8.664 1.00 0.80 H new ATOM 0 HG2 LYS A 4 -12.147 -2.938 -7.221 1.00 1.25 H new ATOM 0 HG3 LYS A 4 -11.315 -1.411 -7.439 1.00 1.25 H new ATOM 0 HD2 LYS A 4 -11.209 -1.713 -9.857 1.00 1.42 H new ATOM 0 HD3 LYS A 4 -11.740 -3.379 -9.735 1.00 1.42 H new ATOM 0 HE2 LYS A 4 -13.786 -2.047 -8.399 1.00 2.17 H new ATOM 0 HE3 LYS A 4 -13.344 -0.868 -9.618 1.00 2.17 H new ATOM 0 HZ1 LYS A 4 -14.531 -2.024 -11.046 1.00 3.79 H new ATOM 0 HZ2 LYS A 4 -13.438 -3.316 -10.907 1.00 3.79 H new ATOM 0 HZ3 LYS A 4 -14.812 -3.254 -9.911 1.00 3.79 H new ATOM 67 N THR A 5 -9.680 -3.475 -4.605 1.00 0.44 N ATOM 68 CA THR A 5 -10.042 -2.943 -3.304 1.00 0.47 C ATOM 69 C THR A 5 -9.149 -1.760 -3.083 1.00 0.41 C ATOM 70 O THR A 5 -8.015 -1.758 -3.554 1.00 0.42 O ATOM 71 CB THR A 5 -9.842 -3.977 -2.186 1.00 0.51 C ATOM 72 OG1 THR A 5 -10.651 -5.059 -2.522 1.00 0.65 O ATOM 73 CG2 THR A 5 -10.325 -3.486 -0.817 1.00 0.59 C ATOM 0 H THR A 5 -8.704 -3.321 -4.858 1.00 0.44 H new ATOM 0 HA THR A 5 -11.098 -2.672 -3.281 1.00 0.47 H new ATOM 0 HB THR A 5 -8.778 -4.201 -2.107 1.00 0.51 H new ATOM 0 HG1 THR A 5 -10.563 -5.757 -1.840 1.00 0.65 H new ATOM 0 HG21 THR A 5 -10.156 -4.263 -0.071 1.00 0.59 H new ATOM 0 HG22 THR A 5 -9.774 -2.588 -0.537 1.00 0.59 H new ATOM 0 HG23 THR A 5 -11.390 -3.257 -0.867 1.00 0.59 H new ATOM 81 N VAL A 6 -9.659 -0.770 -2.364 1.00 0.42 N ATOM 82 CA VAL A 6 -8.845 0.307 -1.892 1.00 0.37 C ATOM 83 C VAL A 6 -9.046 0.504 -0.400 1.00 0.36 C ATOM 84 O VAL A 6 -10.104 0.185 0.137 1.00 0.54 O ATOM 85 CB VAL A 6 -9.072 1.539 -2.777 1.00 0.41 C ATOM 86 CG1 VAL A 6 -10.543 1.875 -3.020 1.00 0.49 C ATOM 87 CG2 VAL A 6 -8.358 2.789 -2.252 1.00 0.39 C ATOM 0 H VAL A 6 -10.642 -0.704 -2.101 1.00 0.42 H new ATOM 0 HA VAL A 6 -7.783 0.082 -1.987 1.00 0.37 H new ATOM 0 HB VAL A 6 -8.635 1.247 -3.732 1.00 0.41 H new ATOM 0 HG11 VAL A 6 -10.614 2.758 -3.654 1.00 0.49 H new ATOM 0 HG12 VAL A 6 -11.032 1.034 -3.512 1.00 0.49 H new ATOM 0 HG13 VAL A 6 -11.033 2.072 -2.067 1.00 0.49 H new ATOM 0 HG21 VAL A 6 -8.555 3.628 -2.919 1.00 0.39 H new ATOM 0 HG22 VAL A 6 -8.725 3.025 -1.253 1.00 0.39 H new ATOM 0 HG23 VAL A 6 -7.285 2.604 -2.209 1.00 0.39 H new ATOM 97 N TYR A 7 -7.972 0.932 0.265 1.00 0.23 N ATOM 98 CA TYR A 7 -7.890 1.054 1.706 1.00 0.21 C ATOM 99 C TYR A 7 -7.288 2.427 2.007 1.00 0.20 C ATOM 100 O TYR A 7 -6.439 2.897 1.247 1.00 0.27 O ATOM 101 CB TYR A 7 -7.002 -0.067 2.264 1.00 0.22 C ATOM 102 CG TYR A 7 -7.338 -1.494 1.857 1.00 0.32 C ATOM 103 CD1 TYR A 7 -7.015 -1.964 0.568 1.00 1.62 C ATOM 104 CD2 TYR A 7 -7.744 -2.416 2.842 1.00 2.08 C ATOM 105 CE1 TYR A 7 -7.156 -3.327 0.254 1.00 1.57 C ATOM 106 CE2 TYR A 7 -7.922 -3.771 2.517 1.00 2.17 C ATOM 107 CZ TYR A 7 -7.622 -4.227 1.226 1.00 0.54 C ATOM 108 OH TYR A 7 -7.554 -5.569 0.999 1.00 0.71 O ATOM 0 H TYR A 7 -7.112 1.210 -0.208 1.00 0.23 H new ATOM 0 HA TYR A 7 -8.871 0.965 2.172 1.00 0.21 H new ATOM 0 HB2 TYR A 7 -5.974 0.136 1.963 1.00 0.22 H new ATOM 0 HB3 TYR A 7 -7.033 -0.011 3.352 1.00 0.22 H new ATOM 0 HD1 TYR A 7 -6.658 -1.274 -0.182 1.00 1.62 H new ATOM 0 HD2 TYR A 7 -7.919 -2.079 3.853 1.00 2.08 H new ATOM 0 HE1 TYR A 7 -6.906 -3.682 -0.735 1.00 1.57 H new ATOM 0 HE2 TYR A 7 -8.290 -4.461 3.262 1.00 2.17 H new ATOM 0 HH TYR A 7 -7.917 -6.050 1.772 1.00 0.71 H new ATOM 118 N ARG A 8 -7.716 3.081 3.089 1.00 0.21 N ATOM 119 CA ARG A 8 -7.190 4.392 3.463 1.00 0.24 C ATOM 120 C ARG A 8 -5.955 4.202 4.331 1.00 0.22 C ATOM 121 O ARG A 8 -6.050 3.538 5.357 1.00 0.36 O ATOM 122 CB ARG A 8 -8.241 5.210 4.227 1.00 0.38 C ATOM 123 CG ARG A 8 -9.356 5.657 3.280 1.00 1.04 C ATOM 124 CD ARG A 8 -10.325 6.658 3.925 1.00 1.35 C ATOM 125 NE ARG A 8 -11.195 6.043 4.944 1.00 2.69 N ATOM 126 CZ ARG A 8 -12.531 5.902 4.848 1.00 3.83 C ATOM 127 NH1 ARG A 8 -13.147 6.006 3.666 1.00 4.43 N ATOM 128 NH2 ARG A 8 -13.255 5.652 5.945 1.00 5.33 N ATOM 0 H ARG A 8 -8.429 2.720 3.723 1.00 0.21 H new ATOM 0 HA ARG A 8 -6.930 4.938 2.556 1.00 0.24 H new ATOM 0 HB2 ARG A 8 -8.660 4.612 5.036 1.00 0.38 H new ATOM 0 HB3 ARG A 8 -7.772 6.081 4.684 1.00 0.38 H new ATOM 0 HG2 ARG A 8 -8.912 6.109 2.393 1.00 1.04 H new ATOM 0 HG3 ARG A 8 -9.914 4.782 2.947 1.00 1.04 H new ATOM 0 HD2 ARG A 8 -9.753 7.465 4.383 1.00 1.35 H new ATOM 0 HD3 ARG A 8 -10.945 7.107 3.149 1.00 1.35 H new ATOM 0 HE ARG A 8 -10.748 5.695 5.792 1.00 2.69 H new ATOM 0 HH11 ARG A 8 -12.604 6.194 2.823 1.00 4.43 H new ATOM 0 HH12 ARG A 8 -14.159 5.897 3.607 1.00 4.43 H new ATOM 0 HH21 ARG A 8 -12.795 5.569 6.852 1.00 5.33 H new ATOM 0 HH22 ARG A 8 -14.267 5.545 5.875 1.00 5.33 H new ATOM 142 N VAL A 9 -4.821 4.794 3.950 1.00 0.28 N ATOM 143 CA VAL A 9 -3.613 4.814 4.766 1.00 0.28 C ATOM 144 C VAL A 9 -3.390 6.234 5.271 1.00 0.40 C ATOM 145 O VAL A 9 -3.801 7.194 4.621 1.00 0.55 O ATOM 146 CB VAL A 9 -2.393 4.286 3.994 1.00 0.31 C ATOM 147 CG1 VAL A 9 -2.245 4.912 2.601 1.00 0.34 C ATOM 148 CG2 VAL A 9 -1.126 4.530 4.819 1.00 0.48 C ATOM 0 H VAL A 9 -4.718 5.277 3.057 1.00 0.28 H new ATOM 0 HA VAL A 9 -3.743 4.145 5.616 1.00 0.28 H new ATOM 0 HB VAL A 9 -2.546 3.218 3.838 1.00 0.31 H new ATOM 0 HG11 VAL A 9 -1.366 4.498 2.108 1.00 0.34 H new ATOM 0 HG12 VAL A 9 -3.132 4.692 2.007 1.00 0.34 H new ATOM 0 HG13 VAL A 9 -2.132 5.992 2.697 1.00 0.34 H new ATOM 0 HG21 VAL A 9 -0.259 4.156 4.274 1.00 0.48 H new ATOM 0 HG22 VAL A 9 -1.009 5.599 4.998 1.00 0.48 H new ATOM 0 HG23 VAL A 9 -1.207 4.009 5.773 1.00 0.48 H new ATOM 158 N ASP A 10 -2.722 6.355 6.420 1.00 0.46 N ATOM 159 CA ASP A 10 -2.377 7.624 7.027 1.00 0.57 C ATOM 160 C ASP A 10 -1.045 7.434 7.750 1.00 0.59 C ATOM 161 O ASP A 10 -0.643 6.291 7.977 1.00 0.60 O ATOM 162 CB ASP A 10 -3.478 7.923 8.033 1.00 0.59 C ATOM 163 CG ASP A 10 -3.391 9.269 8.711 1.00 1.34 C ATOM 164 OD1 ASP A 10 -2.556 10.097 8.293 1.00 2.27 O ATOM 165 OD2 ASP A 10 -4.153 9.367 9.700 1.00 2.35 O ATOM 0 H ASP A 10 -2.403 5.550 6.959 1.00 0.46 H new ATOM 0 HA ASP A 10 -2.286 8.435 6.305 1.00 0.57 H new ATOM 0 HB2 ASP A 10 -4.440 7.853 7.524 1.00 0.59 H new ATOM 0 HB3 ASP A 10 -3.466 7.148 8.800 1.00 0.59 H new ATOM 170 N GLY A 11 -0.401 8.526 8.153 1.00 0.67 N ATOM 171 CA GLY A 11 0.781 8.513 9.000 1.00 0.67 C ATOM 172 C GLY A 11 2.010 9.063 8.281 1.00 0.84 C ATOM 173 O GLY A 11 2.525 10.111 8.663 1.00 1.61 O ATOM 0 H GLY A 11 -0.697 9.466 7.891 1.00 0.67 H new ATOM 0 HA2 GLY A 11 0.591 9.104 9.896 1.00 0.67 H new ATOM 0 HA3 GLY A 11 0.980 7.493 9.328 1.00 0.67 H new ATOM 177 N LEU A 12 2.517 8.345 7.272 1.00 0.60 N ATOM 178 CA LEU A 12 3.751 8.757 6.603 1.00 0.69 C ATOM 179 C LEU A 12 3.493 9.970 5.714 1.00 0.86 C ATOM 180 O LEU A 12 2.365 10.200 5.282 1.00 1.17 O ATOM 181 CB LEU A 12 4.440 7.595 5.862 1.00 0.95 C ATOM 182 CG LEU A 12 3.904 7.215 4.462 1.00 1.35 C ATOM 183 CD1 LEU A 12 4.380 8.191 3.368 1.00 2.68 C ATOM 184 CD2 LEU A 12 4.441 5.828 4.096 1.00 2.27 C ATOM 0 H LEU A 12 2.098 7.490 6.907 1.00 0.60 H new ATOM 0 HA LEU A 12 4.465 9.061 7.368 1.00 0.69 H new ATOM 0 HB2 LEU A 12 5.497 7.842 5.761 1.00 0.95 H new ATOM 0 HB3 LEU A 12 4.379 6.710 6.496 1.00 0.95 H new ATOM 0 HG LEU A 12 2.815 7.244 4.509 1.00 1.35 H new ATOM 0 HD11 LEU A 12 3.977 7.881 2.404 1.00 2.68 H new ATOM 0 HD12 LEU A 12 4.031 9.197 3.601 1.00 2.68 H new ATOM 0 HD13 LEU A 12 5.469 8.186 3.325 1.00 2.68 H new ATOM 0 HD21 LEU A 12 4.072 5.544 3.110 1.00 2.27 H new ATOM 0 HD22 LEU A 12 5.531 5.851 4.083 1.00 2.27 H new ATOM 0 HD23 LEU A 12 4.102 5.100 4.834 1.00 2.27 H new ATOM 196 N SER A 13 4.543 10.733 5.400 1.00 1.10 N ATOM 197 CA SER A 13 4.448 11.884 4.512 1.00 1.42 C ATOM 198 C SER A 13 5.785 12.122 3.812 1.00 1.08 C ATOM 199 O SER A 13 6.467 13.104 4.093 1.00 1.39 O ATOM 200 CB SER A 13 3.975 13.115 5.297 1.00 2.17 C ATOM 201 OG SER A 13 2.728 12.873 5.923 1.00 3.31 O ATOM 0 H SER A 13 5.483 10.566 5.758 1.00 1.10 H new ATOM 0 HA SER A 13 3.708 11.688 3.736 1.00 1.42 H new ATOM 0 HB2 SER A 13 4.718 13.378 6.050 1.00 2.17 H new ATOM 0 HB3 SER A 13 3.888 13.968 4.624 1.00 2.17 H new ATOM 0 HG SER A 13 2.127 12.424 5.292 1.00 3.31 H new ATOM 207 N CYS A 14 6.160 11.225 2.894 1.00 0.79 N ATOM 208 CA CYS A 14 7.377 11.359 2.102 1.00 0.76 C ATOM 209 C CYS A 14 7.279 10.540 0.814 1.00 0.70 C ATOM 210 O CYS A 14 7.085 9.324 0.857 1.00 0.70 O ATOM 211 CB CYS A 14 8.598 10.918 2.914 1.00 0.95 C ATOM 212 SG CYS A 14 10.053 11.108 1.860 1.00 1.82 S ATOM 0 H CYS A 14 5.623 10.384 2.682 1.00 0.79 H new ATOM 0 HA CYS A 14 7.493 12.410 1.836 1.00 0.76 H new ATOM 0 HB2 CYS A 14 8.697 11.522 3.816 1.00 0.95 H new ATOM 0 HB3 CYS A 14 8.490 9.882 3.235 1.00 0.95 H new ATOM 0 HG CYS A 14 11.115 10.744 2.516 1.00 1.82 H new ATOM 218 N THR A 15 7.419 11.207 -0.336 1.00 0.74 N ATOM 219 CA THR A 15 7.391 10.609 -1.660 1.00 0.74 C ATOM 220 C THR A 15 8.274 9.361 -1.743 1.00 0.65 C ATOM 221 O THR A 15 7.857 8.342 -2.286 1.00 0.61 O ATOM 222 CB THR A 15 7.827 11.682 -2.668 1.00 0.87 C ATOM 223 OG1 THR A 15 7.277 12.923 -2.265 1.00 1.39 O ATOM 224 CG2 THR A 15 7.361 11.338 -4.085 1.00 1.18 C ATOM 0 H THR A 15 7.560 12.217 -0.363 1.00 0.74 H new ATOM 0 HA THR A 15 6.381 10.270 -1.890 1.00 0.74 H new ATOM 0 HB THR A 15 8.916 11.735 -2.685 1.00 0.87 H new ATOM 0 HG1 THR A 15 7.547 13.621 -2.897 1.00 1.39 H new ATOM 0 HG21 THR A 15 7.686 12.118 -4.774 1.00 1.18 H new ATOM 0 HG22 THR A 15 7.791 10.383 -4.388 1.00 1.18 H new ATOM 0 HG23 THR A 15 6.273 11.268 -4.103 1.00 1.18 H new ATOM 232 N ASN A 16 9.488 9.424 -1.187 1.00 0.66 N ATOM 233 CA ASN A 16 10.407 8.295 -1.165 1.00 0.64 C ATOM 234 C ASN A 16 9.736 7.062 -0.566 1.00 0.51 C ATOM 235 O ASN A 16 9.874 5.961 -1.095 1.00 0.48 O ATOM 236 CB ASN A 16 11.680 8.630 -0.378 1.00 0.74 C ATOM 237 CG ASN A 16 12.464 9.767 -1.024 1.00 1.56 C ATOM 238 OD1 ASN A 16 11.985 10.895 -1.077 1.00 3.02 O ATOM 239 ND2 ASN A 16 13.662 9.484 -1.529 1.00 2.06 N ATOM 0 H ASN A 16 9.856 10.264 -0.740 1.00 0.66 H new ATOM 0 HA ASN A 16 10.686 8.080 -2.196 1.00 0.64 H new ATOM 0 HB2 ASN A 16 11.414 8.906 0.642 1.00 0.74 H new ATOM 0 HB3 ASN A 16 12.311 7.744 -0.314 1.00 0.74 H new ATOM 0 HD21 ASN A 16 14.212 10.216 -1.978 1.00 2.06 H new ATOM 0 HD22 ASN A 16 14.030 8.535 -1.468 1.00 2.06 H new ATOM 246 N CYS A 17 9.005 7.238 0.536 1.00 0.48 N ATOM 247 CA CYS A 17 8.321 6.131 1.181 1.00 0.40 C ATOM 248 C CYS A 17 7.154 5.659 0.326 1.00 0.40 C ATOM 249 O CYS A 17 6.941 4.456 0.209 1.00 0.37 O ATOM 250 CB CYS A 17 7.864 6.489 2.594 1.00 0.46 C ATOM 251 SG CYS A 17 9.216 6.148 3.747 1.00 0.85 S ATOM 0 H CYS A 17 8.875 8.139 0.996 1.00 0.48 H new ATOM 0 HA CYS A 17 9.032 5.311 1.278 1.00 0.40 H new ATOM 0 HB2 CYS A 17 7.581 7.540 2.644 1.00 0.46 H new ATOM 0 HB3 CYS A 17 6.982 5.908 2.864 1.00 0.46 H new ATOM 0 HG CYS A 17 8.809 6.351 4.965 1.00 0.85 H new ATOM 257 N ALA A 18 6.406 6.573 -0.299 1.00 0.45 N ATOM 258 CA ALA A 18 5.370 6.175 -1.251 1.00 0.47 C ATOM 259 C ALA A 18 5.962 5.301 -2.366 1.00 0.45 C ATOM 260 O ALA A 18 5.400 4.262 -2.709 1.00 0.43 O ATOM 261 CB ALA A 18 4.658 7.406 -1.818 1.00 0.56 C ATOM 0 H ALA A 18 6.498 7.580 -0.164 1.00 0.45 H new ATOM 0 HA ALA A 18 4.627 5.576 -0.725 1.00 0.47 H new ATOM 0 HB1 ALA A 18 3.891 7.089 -2.524 1.00 0.56 H new ATOM 0 HB2 ALA A 18 4.194 7.965 -1.005 1.00 0.56 H new ATOM 0 HB3 ALA A 18 5.381 8.042 -2.329 1.00 0.56 H new ATOM 267 N ALA A 19 7.116 5.706 -2.903 1.00 0.47 N ATOM 268 CA ALA A 19 7.808 4.977 -3.962 1.00 0.48 C ATOM 269 C ALA A 19 8.268 3.603 -3.462 1.00 0.45 C ATOM 270 O ALA A 19 8.025 2.579 -4.102 1.00 0.46 O ATOM 271 CB ALA A 19 8.984 5.809 -4.480 1.00 0.58 C ATOM 0 H ALA A 19 7.598 6.556 -2.611 1.00 0.47 H new ATOM 0 HA ALA A 19 7.119 4.807 -4.789 1.00 0.48 H new ATOM 0 HB1 ALA A 19 9.497 5.261 -5.270 1.00 0.58 H new ATOM 0 HB2 ALA A 19 8.614 6.755 -4.876 1.00 0.58 H new ATOM 0 HB3 ALA A 19 9.679 6.004 -3.663 1.00 0.58 H new ATOM 277 N LYS A 20 8.924 3.581 -2.300 1.00 0.46 N ATOM 278 CA LYS A 20 9.305 2.353 -1.615 1.00 0.49 C ATOM 279 C LYS A 20 8.089 1.428 -1.525 1.00 0.43 C ATOM 280 O LYS A 20 8.167 0.251 -1.873 1.00 0.48 O ATOM 281 CB LYS A 20 9.833 2.714 -0.219 1.00 0.55 C ATOM 282 CG LYS A 20 10.469 1.542 0.542 1.00 0.67 C ATOM 283 CD LYS A 20 12.002 1.635 0.542 1.00 1.16 C ATOM 284 CE LYS A 20 12.625 0.769 1.647 1.00 1.57 C ATOM 285 NZ LYS A 20 12.293 1.261 3.004 1.00 2.70 N ATOM 0 H LYS A 20 9.207 4.427 -1.806 1.00 0.46 H new ATOM 0 HA LYS A 20 10.089 1.831 -2.163 1.00 0.49 H new ATOM 0 HB2 LYS A 20 10.571 3.510 -0.318 1.00 0.55 H new ATOM 0 HB3 LYS A 20 9.011 3.113 0.375 1.00 0.55 H new ATOM 0 HG2 LYS A 20 10.104 1.533 1.569 1.00 0.67 H new ATOM 0 HG3 LYS A 20 10.161 0.601 0.086 1.00 0.67 H new ATOM 0 HD2 LYS A 20 12.386 1.318 -0.428 1.00 1.16 H new ATOM 0 HD3 LYS A 20 12.303 2.673 0.680 1.00 1.16 H new ATOM 0 HE2 LYS A 20 12.276 -0.258 1.540 1.00 1.57 H new ATOM 0 HE3 LYS A 20 13.708 0.752 1.524 1.00 1.57 H new ATOM 0 HZ1 LYS A 20 12.936 0.829 3.697 1.00 2.70 H new ATOM 0 HZ2 LYS A 20 12.397 2.295 3.033 1.00 2.70 H new ATOM 0 HZ3 LYS A 20 11.312 1.005 3.236 1.00 2.70 H new ATOM 299 N PHE A 21 6.964 1.978 -1.066 1.00 0.39 N ATOM 300 CA PHE A 21 5.712 1.259 -0.952 1.00 0.39 C ATOM 301 C PHE A 21 5.278 0.675 -2.285 1.00 0.42 C ATOM 302 O PHE A 21 5.157 -0.541 -2.378 1.00 0.46 O ATOM 303 CB PHE A 21 4.611 2.144 -0.361 1.00 0.36 C ATOM 304 CG PHE A 21 4.324 1.831 1.085 1.00 0.89 C ATOM 305 CD1 PHE A 21 3.688 0.622 1.423 1.00 1.65 C ATOM 306 CD2 PHE A 21 4.703 2.733 2.091 1.00 2.46 C ATOM 307 CE1 PHE A 21 3.325 0.374 2.755 1.00 1.84 C ATOM 308 CE2 PHE A 21 4.438 2.427 3.432 1.00 2.77 C ATOM 309 CZ PHE A 21 3.665 1.302 3.754 1.00 1.73 C ATOM 0 H PHE A 21 6.905 2.950 -0.761 1.00 0.39 H new ATOM 0 HA PHE A 21 5.881 0.429 -0.266 1.00 0.39 H new ATOM 0 HB2 PHE A 21 4.905 3.190 -0.450 1.00 0.36 H new ATOM 0 HB3 PHE A 21 3.698 2.018 -0.943 1.00 0.36 H new ATOM 0 HD1 PHE A 21 3.480 -0.113 0.659 1.00 1.65 H new ATOM 0 HD2 PHE A 21 5.196 3.658 1.833 1.00 2.46 H new ATOM 0 HE1 PHE A 21 2.787 -0.526 3.012 1.00 1.84 H new ATOM 0 HE2 PHE A 21 4.829 3.057 4.217 1.00 2.77 H new ATOM 0 HZ PHE A 21 3.331 1.149 4.770 1.00 1.73 H new ATOM 319 N GLU A 22 4.994 1.500 -3.299 1.00 0.40 N ATOM 320 CA GLU A 22 4.428 0.951 -4.524 1.00 0.40 C ATOM 321 C GLU A 22 5.336 -0.130 -5.099 1.00 0.41 C ATOM 322 O GLU A 22 4.845 -1.171 -5.519 1.00 0.42 O ATOM 323 CB GLU A 22 4.062 2.022 -5.556 1.00 0.42 C ATOM 324 CG GLU A 22 5.190 2.892 -6.116 1.00 0.58 C ATOM 325 CD GLU A 22 5.469 2.549 -7.566 1.00 1.01 C ATOM 326 OE1 GLU A 22 4.651 2.949 -8.422 1.00 1.64 O ATOM 327 OE2 GLU A 22 6.414 1.783 -7.856 1.00 2.47 O ATOM 0 H GLU A 22 5.141 2.509 -3.295 1.00 0.40 H new ATOM 0 HA GLU A 22 3.480 0.484 -4.257 1.00 0.40 H new ATOM 0 HB2 GLU A 22 3.575 1.525 -6.395 1.00 0.42 H new ATOM 0 HB3 GLU A 22 3.323 2.683 -5.104 1.00 0.42 H new ATOM 0 HG2 GLU A 22 4.918 3.944 -6.033 1.00 0.58 H new ATOM 0 HG3 GLU A 22 6.094 2.748 -5.524 1.00 0.58 H new ATOM 334 N ARG A 23 6.652 0.082 -5.056 1.00 0.40 N ATOM 335 CA ARG A 23 7.615 -0.930 -5.466 1.00 0.41 C ATOM 336 C ARG A 23 7.468 -2.209 -4.629 1.00 0.42 C ATOM 337 O ARG A 23 7.333 -3.297 -5.186 1.00 0.44 O ATOM 338 CB ARG A 23 9.035 -0.354 -5.402 1.00 0.46 C ATOM 339 CG ARG A 23 10.011 -1.248 -6.176 1.00 0.63 C ATOM 340 CD ARG A 23 11.396 -0.602 -6.254 1.00 1.16 C ATOM 341 NE ARG A 23 12.273 -1.366 -7.156 1.00 1.45 N ATOM 342 CZ ARG A 23 13.455 -0.935 -7.625 1.00 2.07 C ATOM 343 NH1 ARG A 23 13.961 0.222 -7.185 1.00 2.74 N ATOM 344 NH2 ARG A 23 14.119 -1.657 -8.534 1.00 2.65 N ATOM 0 H ARG A 23 7.074 0.955 -4.738 1.00 0.40 H new ATOM 0 HA ARG A 23 7.414 -1.213 -6.499 1.00 0.41 H new ATOM 0 HB2 ARG A 23 9.045 0.653 -5.820 1.00 0.46 H new ATOM 0 HB3 ARG A 23 9.354 -0.271 -4.363 1.00 0.46 H new ATOM 0 HG2 ARG A 23 10.085 -2.220 -5.688 1.00 0.63 H new ATOM 0 HG3 ARG A 23 9.630 -1.424 -7.182 1.00 0.63 H new ATOM 0 HD2 ARG A 23 11.305 0.424 -6.609 1.00 1.16 H new ATOM 0 HD3 ARG A 23 11.839 -0.557 -5.259 1.00 1.16 H new ATOM 0 HE ARG A 23 11.959 -2.292 -7.447 1.00 1.45 H new ATOM 0 HH11 ARG A 23 13.449 0.773 -6.496 1.00 2.74 H new ATOM 0 HH12 ARG A 23 14.859 0.553 -7.538 1.00 2.74 H new ATOM 0 HH21 ARG A 23 13.728 -2.536 -8.872 1.00 2.65 H new ATOM 0 HH22 ARG A 23 15.017 -1.328 -8.889 1.00 2.65 H new ATOM 358 N ASN A 24 7.471 -2.096 -3.297 1.00 0.41 N ATOM 359 CA ASN A 24 7.250 -3.240 -2.410 1.00 0.42 C ATOM 360 C ASN A 24 5.967 -3.984 -2.795 1.00 0.42 C ATOM 361 O ASN A 24 5.956 -5.208 -2.850 1.00 0.45 O ATOM 362 CB ASN A 24 7.168 -2.801 -0.939 1.00 0.48 C ATOM 363 CG ASN A 24 8.486 -2.935 -0.177 1.00 0.68 C ATOM 364 OD1 ASN A 24 8.430 -3.515 1.022 1.00 1.61 O flip ATOM 365 ND2 ASN A 24 9.542 -2.518 -0.641 1.00 1.00 N flip ATOM 0 H ASN A 24 7.626 -1.215 -2.807 1.00 0.41 H new ATOM 0 HA ASN A 24 8.102 -3.910 -2.525 1.00 0.42 H new ATOM 0 HB2 ASN A 24 6.840 -1.762 -0.898 1.00 0.48 H new ATOM 0 HB3 ASN A 24 6.406 -3.396 -0.435 1.00 0.48 H new ATOM 0 HD21 ASN A 24 9.556 -2.078 -1.561 1.00 1.00 H new ATOM 0 HD22 ASN A 24 10.406 -2.611 -0.107 1.00 1.00 H new ATOM 372 N VAL A 25 4.876 -3.254 -3.037 1.00 0.42 N ATOM 373 CA VAL A 25 3.592 -3.839 -3.404 1.00 0.43 C ATOM 374 C VAL A 25 3.689 -4.526 -4.771 1.00 0.39 C ATOM 375 O VAL A 25 3.222 -5.648 -4.941 1.00 0.41 O ATOM 376 CB VAL A 25 2.494 -2.765 -3.352 1.00 0.51 C ATOM 377 CG1 VAL A 25 1.142 -3.355 -3.765 1.00 0.54 C ATOM 378 CG2 VAL A 25 2.356 -2.219 -1.925 1.00 0.55 C ATOM 0 H VAL A 25 4.862 -2.236 -2.983 1.00 0.42 H new ATOM 0 HA VAL A 25 3.320 -4.612 -2.685 1.00 0.43 H new ATOM 0 HB VAL A 25 2.777 -1.967 -4.039 1.00 0.51 H new ATOM 0 HG11 VAL A 25 0.378 -2.579 -3.722 1.00 0.54 H new ATOM 0 HG12 VAL A 25 1.209 -3.742 -4.782 1.00 0.54 H new ATOM 0 HG13 VAL A 25 0.876 -4.165 -3.086 1.00 0.54 H new ATOM 0 HG21 VAL A 25 1.575 -1.459 -1.900 1.00 0.55 H new ATOM 0 HG22 VAL A 25 2.093 -3.032 -1.248 1.00 0.55 H new ATOM 0 HG23 VAL A 25 3.302 -1.778 -1.611 1.00 0.55 H new ATOM 388 N LYS A 26 4.308 -3.865 -5.746 1.00 0.40 N ATOM 389 CA LYS A 26 4.600 -4.423 -7.058 1.00 0.40 C ATOM 390 C LYS A 26 5.375 -5.743 -6.931 1.00 0.38 C ATOM 391 O LYS A 26 5.102 -6.679 -7.676 1.00 0.42 O ATOM 392 CB LYS A 26 5.357 -3.364 -7.875 1.00 0.42 C ATOM 393 CG LYS A 26 4.416 -2.362 -8.557 1.00 0.55 C ATOM 394 CD LYS A 26 5.166 -1.044 -8.801 1.00 0.73 C ATOM 395 CE LYS A 26 4.644 -0.269 -10.015 1.00 0.97 C ATOM 396 NZ LYS A 26 5.237 1.083 -10.067 1.00 2.04 N ATOM 0 H LYS A 26 4.627 -2.902 -5.640 1.00 0.40 H new ATOM 0 HA LYS A 26 3.677 -4.670 -7.583 1.00 0.40 H new ATOM 0 HB2 LYS A 26 6.042 -2.826 -7.220 1.00 0.42 H new ATOM 0 HB3 LYS A 26 5.964 -3.860 -8.632 1.00 0.42 H new ATOM 0 HG2 LYS A 26 4.056 -2.769 -9.502 1.00 0.55 H new ATOM 0 HG3 LYS A 26 3.540 -2.185 -7.932 1.00 0.55 H new ATOM 0 HD2 LYS A 26 5.082 -0.416 -7.914 1.00 0.73 H new ATOM 0 HD3 LYS A 26 6.226 -1.257 -8.942 1.00 0.73 H new ATOM 0 HE2 LYS A 26 4.884 -0.812 -10.929 1.00 0.97 H new ATOM 0 HE3 LYS A 26 3.558 -0.193 -9.965 1.00 0.97 H new ATOM 0 HZ1 LYS A 26 5.481 1.318 -11.050 1.00 2.04 H new ATOM 0 HZ2 LYS A 26 4.552 1.777 -9.705 1.00 2.04 H new ATOM 0 HZ3 LYS A 26 6.096 1.108 -9.482 1.00 2.04 H new ATOM 410 N GLU A 27 6.306 -5.838 -5.974 1.00 0.36 N ATOM 411 CA GLU A 27 7.039 -7.070 -5.687 1.00 0.38 C ATOM 412 C GLU A 27 6.177 -8.172 -5.034 1.00 0.48 C ATOM 413 O GLU A 27 6.713 -9.236 -4.742 1.00 0.78 O ATOM 414 CB GLU A 27 8.263 -6.752 -4.811 1.00 0.44 C ATOM 415 CG GLU A 27 9.332 -5.925 -5.546 1.00 0.53 C ATOM 416 CD GLU A 27 10.445 -6.789 -6.132 1.00 1.77 C ATOM 417 OE1 GLU A 27 11.161 -7.412 -5.321 1.00 2.35 O ATOM 418 OE2 GLU A 27 10.590 -6.766 -7.373 1.00 2.99 O ATOM 0 H GLU A 27 6.571 -5.056 -5.375 1.00 0.36 H new ATOM 0 HA GLU A 27 7.358 -7.475 -6.648 1.00 0.38 H new ATOM 0 HB2 GLU A 27 7.937 -6.208 -3.925 1.00 0.44 H new ATOM 0 HB3 GLU A 27 8.708 -7.685 -4.466 1.00 0.44 H new ATOM 0 HG2 GLU A 27 8.859 -5.357 -6.347 1.00 0.53 H new ATOM 0 HG3 GLU A 27 9.765 -5.202 -4.855 1.00 0.53 H new ATOM 425 N ILE A 28 4.881 -7.961 -4.764 1.00 0.37 N ATOM 426 CA ILE A 28 4.030 -9.007 -4.196 1.00 0.44 C ATOM 427 C ILE A 28 3.461 -9.891 -5.309 1.00 0.44 C ATOM 428 O ILE A 28 2.884 -9.406 -6.280 1.00 0.50 O ATOM 429 CB ILE A 28 2.869 -8.396 -3.396 1.00 0.47 C ATOM 430 CG1 ILE A 28 3.320 -7.497 -2.232 1.00 0.51 C ATOM 431 CG2 ILE A 28 1.855 -9.437 -2.909 1.00 0.61 C ATOM 432 CD1 ILE A 28 4.049 -8.230 -1.102 1.00 2.11 C ATOM 0 H ILE A 28 4.403 -7.076 -4.931 1.00 0.37 H new ATOM 0 HA ILE A 28 4.644 -9.609 -3.527 1.00 0.44 H new ATOM 0 HB ILE A 28 2.364 -7.754 -4.118 1.00 0.47 H new ATOM 0 HG12 ILE A 28 3.975 -6.719 -2.624 1.00 0.51 H new ATOM 0 HG13 ILE A 28 2.445 -6.997 -1.817 1.00 0.51 H new ATOM 0 HG21 ILE A 28 1.062 -8.939 -2.351 1.00 0.61 H new ATOM 0 HG22 ILE A 28 1.426 -9.956 -3.766 1.00 0.61 H new ATOM 0 HG23 ILE A 28 2.356 -10.158 -2.262 1.00 0.61 H new ATOM 0 HD11 ILE A 28 4.329 -7.517 -0.327 1.00 2.11 H new ATOM 0 HD12 ILE A 28 3.392 -8.989 -0.677 1.00 2.11 H new ATOM 0 HD13 ILE A 28 4.946 -8.707 -1.497 1.00 2.11 H new ATOM 444 N GLU A 29 3.523 -11.200 -5.103 1.00 0.68 N ATOM 445 CA GLU A 29 2.835 -12.209 -5.870 1.00 0.95 C ATOM 446 C GLU A 29 1.353 -12.208 -5.493 1.00 1.23 C ATOM 447 O GLU A 29 1.005 -12.377 -4.325 1.00 3.05 O ATOM 448 CB GLU A 29 3.453 -13.571 -5.535 1.00 1.24 C ATOM 449 CG GLU A 29 4.758 -13.842 -6.294 1.00 1.32 C ATOM 450 CD GLU A 29 5.894 -12.931 -5.854 1.00 2.62 C ATOM 451 OE1 GLU A 29 5.930 -12.630 -4.639 1.00 4.11 O ATOM 452 OE2 GLU A 29 6.697 -12.570 -6.740 1.00 3.11 O ATOM 0 H GLU A 29 4.088 -11.599 -4.353 1.00 0.68 H new ATOM 0 HA GLU A 29 2.930 -12.007 -6.937 1.00 0.95 H new ATOM 0 HB2 GLU A 29 3.645 -13.622 -4.463 1.00 1.24 H new ATOM 0 HB3 GLU A 29 2.734 -14.357 -5.768 1.00 1.24 H new ATOM 0 HG2 GLU A 29 5.052 -14.881 -6.143 1.00 1.32 H new ATOM 0 HG3 GLU A 29 4.586 -13.711 -7.362 1.00 1.32 H new ATOM 459 N GLY A 30 0.486 -12.053 -6.495 1.00 0.84 N ATOM 460 CA GLY A 30 -0.959 -12.209 -6.371 1.00 0.96 C ATOM 461 C GLY A 30 -1.687 -10.968 -6.877 1.00 0.83 C ATOM 462 O GLY A 30 -2.716 -11.062 -7.544 1.00 1.10 O ATOM 0 H GLY A 30 0.781 -11.809 -7.440 1.00 0.84 H new ATOM 0 HA2 GLY A 30 -1.284 -13.082 -6.937 1.00 0.96 H new ATOM 0 HA3 GLY A 30 -1.221 -12.389 -5.328 1.00 0.96 H new ATOM 466 N VAL A 31 -1.148 -9.787 -6.578 1.00 0.58 N ATOM 467 CA VAL A 31 -1.667 -8.547 -7.113 1.00 0.48 C ATOM 468 C VAL A 31 -1.295 -8.440 -8.600 1.00 0.47 C ATOM 469 O VAL A 31 -0.375 -9.108 -9.069 1.00 0.59 O ATOM 470 CB VAL A 31 -1.162 -7.394 -6.232 1.00 0.48 C ATOM 471 CG1 VAL A 31 0.314 -7.082 -6.450 1.00 0.57 C ATOM 472 CG2 VAL A 31 -1.974 -6.123 -6.437 1.00 0.52 C ATOM 0 H VAL A 31 -0.344 -9.672 -5.961 1.00 0.58 H new ATOM 0 HA VAL A 31 -2.756 -8.504 -7.084 1.00 0.48 H new ATOM 0 HB VAL A 31 -1.290 -7.742 -5.207 1.00 0.48 H new ATOM 0 HG11 VAL A 31 0.612 -6.259 -5.800 1.00 0.57 H new ATOM 0 HG12 VAL A 31 0.911 -7.964 -6.216 1.00 0.57 H new ATOM 0 HG13 VAL A 31 0.476 -6.800 -7.490 1.00 0.57 H new ATOM 0 HG21 VAL A 31 -1.583 -5.334 -5.795 1.00 0.52 H new ATOM 0 HG22 VAL A 31 -1.904 -5.811 -7.479 1.00 0.52 H new ATOM 0 HG23 VAL A 31 -3.017 -6.313 -6.184 1.00 0.52 H new ATOM 482 N THR A 32 -2.030 -7.612 -9.341 1.00 0.51 N ATOM 483 CA THR A 32 -1.822 -7.317 -10.750 1.00 0.58 C ATOM 484 C THR A 32 -1.471 -5.840 -10.871 1.00 0.56 C ATOM 485 O THR A 32 -0.410 -5.514 -11.396 1.00 0.65 O ATOM 486 CB THR A 32 -3.073 -7.685 -11.561 1.00 0.62 C ATOM 487 OG1 THR A 32 -3.405 -9.035 -11.306 1.00 0.69 O ATOM 488 CG2 THR A 32 -2.856 -7.502 -13.066 1.00 0.74 C ATOM 0 H THR A 32 -2.825 -7.106 -8.951 1.00 0.51 H new ATOM 0 HA THR A 32 -1.003 -7.911 -11.157 1.00 0.58 H new ATOM 0 HB THR A 32 -3.879 -7.019 -11.255 1.00 0.62 H new ATOM 0 HG1 THR A 32 -4.204 -9.278 -11.819 1.00 0.69 H new ATOM 0 HG21 THR A 32 -3.766 -7.774 -13.601 1.00 0.74 H new ATOM 0 HG22 THR A 32 -2.610 -6.461 -13.274 1.00 0.74 H new ATOM 0 HG23 THR A 32 -2.037 -8.141 -13.396 1.00 0.74 H new ATOM 496 N GLU A 33 -2.336 -4.961 -10.348 1.00 0.49 N ATOM 497 CA GLU A 33 -1.991 -3.541 -10.240 1.00 0.47 C ATOM 498 C GLU A 33 -2.199 -3.047 -8.814 1.00 0.45 C ATOM 499 O GLU A 33 -3.108 -3.504 -8.134 1.00 0.64 O ATOM 500 CB GLU A 33 -2.803 -2.699 -11.231 1.00 0.51 C ATOM 501 CG GLU A 33 -2.502 -3.097 -12.681 1.00 0.73 C ATOM 502 CD GLU A 33 -3.026 -2.067 -13.673 1.00 1.44 C ATOM 503 OE1 GLU A 33 -2.754 -0.868 -13.445 1.00 1.52 O ATOM 504 OE2 GLU A 33 -3.691 -2.497 -14.639 1.00 2.89 O ATOM 0 H GLU A 33 -3.263 -5.204 -9.999 1.00 0.49 H new ATOM 0 HA GLU A 33 -0.937 -3.429 -10.493 1.00 0.47 H new ATOM 0 HB2 GLU A 33 -3.867 -2.825 -11.031 1.00 0.51 H new ATOM 0 HB3 GLU A 33 -2.574 -1.643 -11.087 1.00 0.51 H new ATOM 0 HG2 GLU A 33 -1.426 -3.211 -12.810 1.00 0.73 H new ATOM 0 HG3 GLU A 33 -2.953 -4.067 -12.892 1.00 0.73 H new ATOM 511 N ALA A 34 -1.389 -2.096 -8.348 1.00 0.38 N ATOM 512 CA ALA A 34 -1.684 -1.369 -7.125 1.00 0.40 C ATOM 513 C ALA A 34 -1.363 0.096 -7.369 1.00 0.40 C ATOM 514 O ALA A 34 -0.381 0.383 -8.052 1.00 0.44 O ATOM 515 CB ALA A 34 -0.865 -1.932 -5.966 1.00 0.51 C ATOM 0 H ALA A 34 -0.522 -1.814 -8.805 1.00 0.38 H new ATOM 0 HA ALA A 34 -2.735 -1.474 -6.856 1.00 0.40 H new ATOM 0 HB1 ALA A 34 -1.095 -1.379 -5.055 1.00 0.51 H new ATOM 0 HB2 ALA A 34 -1.112 -2.984 -5.824 1.00 0.51 H new ATOM 0 HB3 ALA A 34 0.197 -1.836 -6.190 1.00 0.51 H new ATOM 521 N ILE A 35 -2.192 1.009 -6.853 1.00 0.40 N ATOM 522 CA ILE A 35 -1.994 2.440 -7.071 1.00 0.43 C ATOM 523 C ILE A 35 -1.948 3.083 -5.694 1.00 0.40 C ATOM 524 O ILE A 35 -2.962 3.095 -4.995 1.00 0.49 O ATOM 525 CB ILE A 35 -3.103 3.034 -7.963 1.00 0.46 C ATOM 526 CG1 ILE A 35 -3.163 2.307 -9.321 1.00 0.51 C ATOM 527 CG2 ILE A 35 -2.842 4.536 -8.172 1.00 0.51 C ATOM 528 CD1 ILE A 35 -4.413 2.663 -10.129 1.00 1.42 C ATOM 0 H ILE A 35 -3.005 0.780 -6.282 1.00 0.40 H new ATOM 0 HA ILE A 35 -1.065 2.633 -7.608 1.00 0.43 H new ATOM 0 HB ILE A 35 -4.064 2.899 -7.467 1.00 0.46 H new ATOM 0 HG12 ILE A 35 -2.276 2.559 -9.902 1.00 0.51 H new ATOM 0 HG13 ILE A 35 -3.139 1.230 -9.153 1.00 0.51 H new ATOM 0 HG21 ILE A 35 -3.625 4.957 -8.802 1.00 0.51 H new ATOM 0 HG22 ILE A 35 -2.841 5.043 -7.207 1.00 0.51 H new ATOM 0 HG23 ILE A 35 -1.875 4.673 -8.655 1.00 0.51 H new ATOM 0 HD11 ILE A 35 -4.401 2.122 -11.075 1.00 1.42 H new ATOM 0 HD12 ILE A 35 -5.303 2.386 -9.564 1.00 1.42 H new ATOM 0 HD13 ILE A 35 -4.427 3.735 -10.325 1.00 1.42 H new ATOM 540 N VAL A 36 -0.768 3.557 -5.278 1.00 0.39 N ATOM 541 CA VAL A 36 -0.569 4.033 -3.924 1.00 0.41 C ATOM 542 C VAL A 36 -0.495 5.557 -3.891 1.00 0.44 C ATOM 543 O VAL A 36 0.292 6.153 -4.623 1.00 0.60 O ATOM 544 CB VAL A 36 0.656 3.355 -3.293 1.00 0.51 C ATOM 545 CG1 VAL A 36 0.836 1.906 -3.774 1.00 1.94 C ATOM 546 CG2 VAL A 36 1.962 4.140 -3.478 1.00 1.68 C ATOM 0 H VAL A 36 0.060 3.617 -5.870 1.00 0.39 H new ATOM 0 HA VAL A 36 -1.429 3.756 -3.315 1.00 0.41 H new ATOM 0 HB VAL A 36 0.441 3.342 -2.225 1.00 0.51 H new ATOM 0 HG11 VAL A 36 1.715 1.471 -3.299 1.00 1.94 H new ATOM 0 HG12 VAL A 36 -0.045 1.322 -3.509 1.00 1.94 H new ATOM 0 HG13 VAL A 36 0.966 1.895 -4.856 1.00 1.94 H new ATOM 0 HG21 VAL A 36 2.782 3.599 -3.006 1.00 1.68 H new ATOM 0 HG22 VAL A 36 2.169 4.256 -4.542 1.00 1.68 H new ATOM 0 HG23 VAL A 36 1.864 5.123 -3.018 1.00 1.68 H new ATOM 556 N ASN A 37 -1.271 6.180 -3.002 1.00 0.47 N ATOM 557 CA ASN A 37 -1.163 7.593 -2.680 1.00 0.62 C ATOM 558 C ASN A 37 -0.865 7.690 -1.181 1.00 0.94 C ATOM 559 O ASN A 37 -1.617 8.313 -0.430 1.00 1.92 O ATOM 560 CB ASN A 37 -2.456 8.337 -3.061 1.00 0.67 C ATOM 561 CG ASN A 37 -2.819 8.294 -4.547 1.00 0.89 C ATOM 562 OD1 ASN A 37 -2.103 7.751 -5.379 1.00 1.85 O ATOM 563 ND2 ASN A 37 -3.960 8.875 -4.902 1.00 1.85 N ATOM 0 H ASN A 37 -2.004 5.702 -2.479 1.00 0.47 H new ATOM 0 HA ASN A 37 -0.362 8.067 -3.247 1.00 0.62 H new ATOM 0 HB2 ASN A 37 -3.282 7.913 -2.489 1.00 0.67 H new ATOM 0 HB3 ASN A 37 -2.359 9.379 -2.757 1.00 0.67 H new ATOM 0 HD21 ASN A 37 -4.251 8.873 -5.880 1.00 1.85 H new ATOM 0 HD22 ASN A 37 -4.545 9.323 -4.197 1.00 1.85 H new ATOM 570 N PHE A 38 0.227 7.061 -0.729 1.00 1.13 N ATOM 571 CA PHE A 38 0.713 7.262 0.632 1.00 1.30 C ATOM 572 C PHE A 38 1.110 8.726 0.791 1.00 1.53 C ATOM 573 O PHE A 38 1.775 9.280 -0.082 1.00 2.40 O ATOM 574 CB PHE A 38 1.931 6.384 0.951 1.00 1.68 C ATOM 575 CG PHE A 38 1.637 4.915 1.159 1.00 1.73 C ATOM 576 CD1 PHE A 38 1.618 4.041 0.064 1.00 2.92 C ATOM 577 CD2 PHE A 38 1.470 4.394 2.455 1.00 2.43 C ATOM 578 CE1 PHE A 38 1.230 2.701 0.231 1.00 3.40 C ATOM 579 CE2 PHE A 38 1.165 3.032 2.624 1.00 2.49 C ATOM 580 CZ PHE A 38 0.938 2.213 1.512 1.00 2.54 C ATOM 0 H PHE A 38 0.784 6.413 -1.286 1.00 1.13 H new ATOM 0 HA PHE A 38 -0.086 6.985 1.320 1.00 1.30 H new ATOM 0 HB2 PHE A 38 2.650 6.481 0.138 1.00 1.68 H new ATOM 0 HB3 PHE A 38 2.411 6.772 1.849 1.00 1.68 H new ATOM 0 HD1 PHE A 38 1.903 4.399 -0.914 1.00 2.92 H new ATOM 0 HD2 PHE A 38 1.576 5.037 3.316 1.00 2.43 H new ATOM 0 HE1 PHE A 38 1.157 2.048 -0.626 1.00 3.40 H new ATOM 0 HE2 PHE A 38 1.105 2.615 3.618 1.00 2.49 H new ATOM 0 HZ PHE A 38 0.542 1.216 1.640 1.00 2.54 H new ATOM 590 N GLY A 39 0.720 9.337 1.908 1.00 1.84 N ATOM 591 CA GLY A 39 1.035 10.720 2.213 1.00 2.03 C ATOM 592 C GLY A 39 -0.107 11.329 3.012 1.00 2.02 C ATOM 593 O GLY A 39 0.089 11.810 4.122 1.00 2.84 O ATOM 0 H GLY A 39 0.170 8.875 2.632 1.00 1.84 H new ATOM 0 HA2 GLY A 39 1.963 10.777 2.781 1.00 2.03 H new ATOM 0 HA3 GLY A 39 1.190 11.282 1.292 1.00 2.03 H new ATOM 597 N ALA A 40 -1.309 11.275 2.432 1.00 1.44 N ATOM 598 CA ALA A 40 -2.550 11.726 3.051 1.00 1.26 C ATOM 599 C ALA A 40 -3.716 11.308 2.155 1.00 0.75 C ATOM 600 O ALA A 40 -4.498 12.146 1.712 1.00 1.48 O ATOM 601 CB ALA A 40 -2.526 13.249 3.256 1.00 2.04 C ATOM 0 H ALA A 40 -1.445 10.905 1.491 1.00 1.44 H new ATOM 0 HA ALA A 40 -2.666 11.269 4.034 1.00 1.26 H new ATOM 0 HB1 ALA A 40 -3.460 13.569 3.719 1.00 2.04 H new ATOM 0 HB2 ALA A 40 -1.690 13.516 3.903 1.00 2.04 H new ATOM 0 HB3 ALA A 40 -2.411 13.744 2.292 1.00 2.04 H new ATOM 607 N SER A 41 -3.801 10.016 1.821 1.00 0.56 N ATOM 608 CA SER A 41 -4.836 9.495 0.940 1.00 1.02 C ATOM 609 C SER A 41 -5.068 7.995 1.164 1.00 0.56 C ATOM 610 O SER A 41 -5.655 7.599 2.169 1.00 0.52 O ATOM 611 CB SER A 41 -4.539 9.884 -0.521 1.00 2.11 C ATOM 612 OG SER A 41 -4.965 11.201 -0.802 1.00 2.59 O ATOM 0 H SER A 41 -3.150 9.306 2.158 1.00 0.56 H new ATOM 0 HA SER A 41 -5.790 9.960 1.190 1.00 1.02 H new ATOM 0 HB2 SER A 41 -3.469 9.798 -0.711 1.00 2.11 H new ATOM 0 HB3 SER A 41 -5.040 9.187 -1.193 1.00 2.11 H new ATOM 0 HG SER A 41 -4.897 11.747 0.009 1.00 2.59 H new ATOM 618 N LYS A 42 -4.729 7.165 0.179 1.00 0.46 N ATOM 619 CA LYS A 42 -5.208 5.795 0.104 1.00 0.29 C ATOM 620 C LYS A 42 -4.333 4.944 -0.798 1.00 0.28 C ATOM 621 O LYS A 42 -3.482 5.471 -1.511 1.00 0.45 O ATOM 622 CB LYS A 42 -6.696 5.776 -0.289 1.00 0.66 C ATOM 623 CG LYS A 42 -7.043 6.546 -1.578 1.00 1.01 C ATOM 624 CD LYS A 42 -8.416 7.226 -1.446 1.00 1.71 C ATOM 625 CE LYS A 42 -9.540 6.177 -1.387 1.00 2.88 C ATOM 626 NZ LYS A 42 -10.652 6.518 -0.476 1.00 4.05 N ATOM 0 H LYS A 42 -4.112 7.429 -0.589 1.00 0.46 H new ATOM 0 HA LYS A 42 -5.133 5.338 1.091 1.00 0.29 H new ATOM 0 HB2 LYS A 42 -7.011 4.739 -0.408 1.00 0.66 H new ATOM 0 HB3 LYS A 42 -7.278 6.194 0.533 1.00 0.66 H new ATOM 0 HG2 LYS A 42 -6.277 7.295 -1.778 1.00 1.01 H new ATOM 0 HG3 LYS A 42 -7.049 5.862 -2.427 1.00 1.01 H new ATOM 0 HD2 LYS A 42 -8.438 7.840 -0.546 1.00 1.71 H new ATOM 0 HD3 LYS A 42 -8.579 7.894 -2.292 1.00 1.71 H new ATOM 0 HE2 LYS A 42 -9.940 6.036 -2.391 1.00 2.88 H new ATOM 0 HE3 LYS A 42 -9.113 5.223 -1.077 1.00 2.88 H new ATOM 0 HZ1 LYS A 42 -11.379 5.776 -0.523 1.00 4.05 H new ATOM 0 HZ2 LYS A 42 -10.293 6.591 0.498 1.00 4.05 H new ATOM 0 HZ3 LYS A 42 -11.067 7.428 -0.761 1.00 4.05 H new ATOM 640 N ILE A 43 -4.550 3.633 -0.742 1.00 0.23 N ATOM 641 CA ILE A 43 -3.783 2.638 -1.468 1.00 0.23 C ATOM 642 C ILE A 43 -4.774 1.657 -2.106 1.00 0.23 C ATOM 643 O ILE A 43 -5.525 0.979 -1.401 1.00 0.22 O ATOM 644 CB ILE A 43 -2.727 2.038 -0.514 1.00 0.22 C ATOM 645 CG1 ILE A 43 -1.695 1.101 -1.164 1.00 0.30 C ATOM 646 CG2 ILE A 43 -3.323 1.423 0.756 1.00 0.29 C ATOM 647 CD1 ILE A 43 -2.214 -0.256 -1.637 1.00 0.77 C ATOM 0 H ILE A 43 -5.290 3.226 -0.170 1.00 0.23 H new ATOM 0 HA ILE A 43 -3.203 3.043 -2.297 1.00 0.23 H new ATOM 0 HB ILE A 43 -2.158 2.919 -0.215 1.00 0.22 H new ATOM 0 HG12 ILE A 43 -1.256 1.616 -2.019 1.00 0.30 H new ATOM 0 HG13 ILE A 43 -0.891 0.929 -0.448 1.00 0.30 H new ATOM 0 HG21 ILE A 43 -2.522 1.022 1.377 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -3.864 2.189 1.312 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -4.008 0.620 0.484 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -1.395 -0.826 -2.077 1.00 0.77 H new ATOM 0 HD12 ILE A 43 -2.623 -0.805 -0.789 1.00 0.77 H new ATOM 0 HD13 ILE A 43 -2.994 -0.107 -2.383 1.00 0.77 H new ATOM 659 N THR A 44 -4.831 1.646 -3.444 1.00 0.28 N ATOM 660 CA THR A 44 -5.629 0.711 -4.229 1.00 0.31 C ATOM 661 C THR A 44 -4.779 -0.497 -4.575 1.00 0.31 C ATOM 662 O THR A 44 -3.594 -0.362 -4.872 1.00 0.33 O ATOM 663 CB THR A 44 -6.168 1.379 -5.502 1.00 0.40 C ATOM 664 OG1 THR A 44 -6.903 2.502 -5.108 1.00 0.47 O ATOM 665 CG2 THR A 44 -7.066 0.467 -6.345 1.00 0.48 C ATOM 0 H THR A 44 -4.308 2.306 -4.020 1.00 0.28 H new ATOM 0 HA THR A 44 -6.489 0.393 -3.639 1.00 0.31 H new ATOM 0 HB THR A 44 -5.315 1.634 -6.131 1.00 0.40 H new ATOM 0 HG1 THR A 44 -7.261 2.954 -5.901 1.00 0.47 H new ATOM 0 HG21 THR A 44 -7.408 1.008 -7.227 1.00 0.48 H new ATOM 0 HG22 THR A 44 -6.502 -0.413 -6.655 1.00 0.48 H new ATOM 0 HG23 THR A 44 -7.927 0.156 -5.753 1.00 0.48 H new ATOM 673 N VAL A 45 -5.408 -1.663 -4.539 1.00 0.33 N ATOM 674 CA VAL A 45 -4.854 -2.959 -4.842 1.00 0.33 C ATOM 675 C VAL A 45 -5.833 -3.577 -5.838 1.00 0.37 C ATOM 676 O VAL A 45 -7.050 -3.414 -5.718 1.00 0.40 O ATOM 677 CB VAL A 45 -4.789 -3.752 -3.531 1.00 0.37 C ATOM 678 CG1 VAL A 45 -4.322 -5.199 -3.727 1.00 0.49 C ATOM 679 CG2 VAL A 45 -3.884 -3.072 -2.496 1.00 0.84 C ATOM 0 H VAL A 45 -6.392 -1.723 -4.277 1.00 0.33 H new ATOM 0 HA VAL A 45 -3.849 -2.936 -5.264 1.00 0.33 H new ATOM 0 HB VAL A 45 -5.814 -3.772 -3.161 1.00 0.37 H new ATOM 0 HG11 VAL A 45 -4.297 -5.707 -2.763 1.00 0.49 H new ATOM 0 HG12 VAL A 45 -5.012 -5.717 -4.392 1.00 0.49 H new ATOM 0 HG13 VAL A 45 -3.324 -5.203 -4.165 1.00 0.49 H new ATOM 0 HG21 VAL A 45 -3.866 -3.666 -1.582 1.00 0.84 H new ATOM 0 HG22 VAL A 45 -2.873 -2.989 -2.895 1.00 0.84 H new ATOM 0 HG23 VAL A 45 -4.269 -2.077 -2.274 1.00 0.84 H new ATOM 689 N THR A 46 -5.326 -4.238 -6.870 1.00 0.41 N ATOM 690 CA THR A 46 -6.118 -4.861 -7.904 1.00 0.46 C ATOM 691 C THR A 46 -5.356 -6.070 -8.349 1.00 0.46 C ATOM 692 O THR A 46 -4.160 -6.007 -8.592 1.00 0.67 O ATOM 693 CB THR A 46 -6.338 -3.891 -9.069 1.00 0.51 C ATOM 694 OG1 THR A 46 -7.065 -2.838 -8.513 1.00 0.51 O ATOM 695 CG2 THR A 46 -7.153 -4.500 -10.214 1.00 0.62 C ATOM 0 H THR A 46 -4.322 -4.355 -7.008 1.00 0.41 H new ATOM 0 HA THR A 46 -7.105 -5.139 -7.535 1.00 0.46 H new ATOM 0 HB THR A 46 -5.381 -3.600 -9.502 1.00 0.51 H new ATOM 0 HG1 THR A 46 -7.247 -2.166 -9.203 1.00 0.51 H new ATOM 0 HG21 THR A 46 -7.273 -3.762 -11.007 1.00 0.62 H new ATOM 0 HG22 THR A 46 -6.633 -5.374 -10.607 1.00 0.62 H new ATOM 0 HG23 THR A 46 -8.134 -4.798 -9.844 1.00 0.62 H new ATOM 703 N GLY A 47 -6.043 -7.185 -8.445 1.00 0.49 N ATOM 704 CA GLY A 47 -5.441 -8.381 -8.973 1.00 0.50 C ATOM 705 C GLY A 47 -6.111 -9.552 -8.272 1.00 0.45 C ATOM 706 O GLY A 47 -7.219 -9.941 -8.631 1.00 0.57 O ATOM 0 H GLY A 47 -7.018 -7.286 -8.164 1.00 0.49 H new ATOM 0 HA2 GLY A 47 -5.584 -8.442 -10.052 1.00 0.50 H new ATOM 0 HA3 GLY A 47 -4.366 -8.385 -8.793 1.00 0.50 H new ATOM 710 N GLU A 48 -5.458 -10.030 -7.210 1.00 0.36 N ATOM 711 CA GLU A 48 -5.934 -11.068 -6.306 1.00 0.33 C ATOM 712 C GLU A 48 -5.054 -11.056 -5.039 1.00 0.42 C ATOM 713 O GLU A 48 -4.304 -11.992 -4.769 1.00 0.72 O ATOM 714 CB GLU A 48 -5.954 -12.426 -7.046 1.00 0.38 C ATOM 715 CG GLU A 48 -7.157 -13.300 -6.657 1.00 0.53 C ATOM 716 CD GLU A 48 -7.079 -13.798 -5.221 1.00 2.17 C ATOM 717 OE1 GLU A 48 -7.409 -12.989 -4.328 1.00 3.81 O ATOM 718 OE2 GLU A 48 -6.708 -14.979 -5.052 1.00 2.76 O ATOM 0 H GLU A 48 -4.536 -9.682 -6.948 1.00 0.36 H new ATOM 0 HA GLU A 48 -6.959 -10.885 -5.984 1.00 0.33 H new ATOM 0 HB2 GLU A 48 -5.973 -12.248 -8.121 1.00 0.38 H new ATOM 0 HB3 GLU A 48 -5.033 -12.967 -6.828 1.00 0.38 H new ATOM 0 HG2 GLU A 48 -8.075 -12.728 -6.790 1.00 0.53 H new ATOM 0 HG3 GLU A 48 -7.214 -14.154 -7.331 1.00 0.53 H new ATOM 725 N ALA A 49 -5.083 -9.950 -4.279 1.00 0.35 N ATOM 726 CA ALA A 49 -4.423 -9.848 -2.980 1.00 0.40 C ATOM 727 C ALA A 49 -5.147 -8.835 -2.084 1.00 0.33 C ATOM 728 O ALA A 49 -5.948 -8.042 -2.576 1.00 0.32 O ATOM 729 CB ALA A 49 -2.957 -9.453 -3.181 1.00 0.50 C ATOM 0 H ALA A 49 -5.571 -9.098 -4.556 1.00 0.35 H new ATOM 0 HA ALA A 49 -4.461 -10.817 -2.482 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -2.464 -9.377 -2.212 1.00 0.50 H new ATOM 0 HB2 ALA A 49 -2.456 -10.210 -3.784 1.00 0.50 H new ATOM 0 HB3 ALA A 49 -2.906 -8.491 -3.690 1.00 0.50 H new ATOM 735 N SER A 50 -4.857 -8.864 -0.774 1.00 0.38 N ATOM 736 CA SER A 50 -5.432 -7.996 0.251 1.00 0.41 C ATOM 737 C SER A 50 -4.342 -7.150 0.916 1.00 0.32 C ATOM 738 O SER A 50 -3.163 -7.501 0.838 1.00 0.31 O ATOM 739 CB SER A 50 -6.114 -8.861 1.316 1.00 0.49 C ATOM 740 OG SER A 50 -7.232 -9.520 0.760 1.00 0.68 O ATOM 0 H SER A 50 -4.183 -9.526 -0.388 1.00 0.38 H new ATOM 0 HA SER A 50 -6.156 -7.331 -0.218 1.00 0.41 H new ATOM 0 HB2 SER A 50 -5.408 -9.593 1.708 1.00 0.49 H new ATOM 0 HB3 SER A 50 -6.428 -8.240 2.155 1.00 0.49 H new ATOM 0 HG SER A 50 -7.661 -10.072 1.447 1.00 0.68 H new ATOM 746 N ILE A 51 -4.732 -6.066 1.609 1.00 0.31 N ATOM 747 CA ILE A 51 -3.784 -5.124 2.179 1.00 0.28 C ATOM 748 C ILE A 51 -2.757 -5.796 3.068 1.00 0.23 C ATOM 749 O ILE A 51 -1.644 -5.309 3.106 1.00 0.28 O ATOM 750 CB ILE A 51 -4.465 -3.966 2.930 1.00 0.32 C ATOM 751 CG1 ILE A 51 -3.559 -2.745 2.995 1.00 0.42 C ATOM 752 CG2 ILE A 51 -4.893 -4.342 4.356 1.00 0.34 C ATOM 753 CD1 ILE A 51 -3.421 -2.020 1.651 1.00 1.77 C ATOM 0 H ILE A 51 -5.709 -5.829 1.783 1.00 0.31 H new ATOM 0 HA ILE A 51 -3.260 -4.698 1.323 1.00 0.28 H new ATOM 0 HB ILE A 51 -5.364 -3.735 2.358 1.00 0.32 H new ATOM 0 HG12 ILE A 51 -3.951 -2.049 3.737 1.00 0.42 H new ATOM 0 HG13 ILE A 51 -2.571 -3.052 3.337 1.00 0.42 H new ATOM 0 HG21 ILE A 51 -5.367 -3.483 4.832 1.00 0.34 H new ATOM 0 HG22 ILE A 51 -5.600 -5.171 4.317 1.00 0.34 H new ATOM 0 HG23 ILE A 51 -4.017 -4.639 4.932 1.00 0.34 H new ATOM 0 HD11 ILE A 51 -2.762 -1.160 1.768 1.00 1.77 H new ATOM 0 HD12 ILE A 51 -3.000 -2.701 0.911 1.00 1.77 H new ATOM 0 HD13 ILE A 51 -4.402 -1.683 1.317 1.00 1.77 H new ATOM 765 N GLN A 52 -3.101 -6.885 3.758 1.00 0.26 N ATOM 766 CA GLN A 52 -2.185 -7.683 4.574 1.00 0.31 C ATOM 767 C GLN A 52 -0.759 -7.687 4.000 1.00 0.32 C ATOM 768 O GLN A 52 0.206 -7.410 4.708 1.00 0.37 O ATOM 769 CB GLN A 52 -2.732 -9.113 4.650 1.00 0.39 C ATOM 770 CG GLN A 52 -4.029 -9.191 5.471 1.00 0.49 C ATOM 771 CD GLN A 52 -4.938 -10.305 4.961 1.00 2.33 C ATOM 772 OE1 GLN A 52 -4.500 -11.432 4.763 1.00 3.07 O ATOM 773 NE2 GLN A 52 -6.206 -9.995 4.704 1.00 3.60 N ATOM 0 H GLN A 52 -4.055 -7.247 3.764 1.00 0.26 H new ATOM 0 HA GLN A 52 -2.123 -7.243 5.569 1.00 0.31 H new ATOM 0 HB2 GLN A 52 -2.918 -9.484 3.642 1.00 0.39 H new ATOM 0 HB3 GLN A 52 -1.981 -9.765 5.096 1.00 0.39 H new ATOM 0 HG2 GLN A 52 -3.789 -9.365 6.520 1.00 0.49 H new ATOM 0 HG3 GLN A 52 -4.554 -8.237 5.419 1.00 0.49 H new ATOM 0 HE21 GLN A 52 -6.545 -9.049 4.878 1.00 3.60 H new ATOM 0 HE22 GLN A 52 -6.839 -10.703 4.333 1.00 3.60 H new ATOM 782 N GLN A 53 -0.644 -7.950 2.696 1.00 0.32 N ATOM 783 CA GLN A 53 0.627 -7.948 1.979 1.00 0.45 C ATOM 784 C GLN A 53 1.316 -6.571 2.056 1.00 0.38 C ATOM 785 O GLN A 53 2.484 -6.447 2.427 1.00 0.39 O ATOM 786 CB GLN A 53 0.337 -8.324 0.519 1.00 0.66 C ATOM 787 CG GLN A 53 -0.310 -9.711 0.353 1.00 0.86 C ATOM 788 CD GLN A 53 0.703 -10.801 0.014 1.00 0.97 C ATOM 789 OE1 GLN A 53 1.767 -10.876 0.617 1.00 2.34 O ATOM 790 NE2 GLN A 53 0.387 -11.646 -0.965 1.00 1.09 N ATOM 0 H GLN A 53 -1.444 -8.173 2.103 1.00 0.32 H new ATOM 0 HA GLN A 53 1.308 -8.667 2.434 1.00 0.45 H new ATOM 0 HB2 GLN A 53 -0.321 -7.572 0.083 1.00 0.66 H new ATOM 0 HB3 GLN A 53 1.269 -8.298 -0.045 1.00 0.66 H new ATOM 0 HG2 GLN A 53 -0.828 -9.977 1.274 1.00 0.86 H new ATOM 0 HG3 GLN A 53 -1.063 -9.664 -0.434 1.00 0.86 H new ATOM 0 HE21 GLN A 53 -0.507 -11.556 -1.447 1.00 1.09 H new ATOM 0 HE22 GLN A 53 1.039 -12.383 -1.233 1.00 1.09 H new ATOM 799 N VAL A 54 0.572 -5.527 1.690 1.00 0.35 N ATOM 800 CA VAL A 54 1.015 -4.139 1.671 1.00 0.35 C ATOM 801 C VAL A 54 1.370 -3.666 3.080 1.00 0.33 C ATOM 802 O VAL A 54 2.357 -2.965 3.269 1.00 0.33 O ATOM 803 CB VAL A 54 -0.087 -3.253 1.061 1.00 0.34 C ATOM 804 CG1 VAL A 54 0.367 -1.789 0.975 1.00 0.44 C ATOM 805 CG2 VAL A 54 -0.544 -3.796 -0.302 1.00 0.42 C ATOM 0 H VAL A 54 -0.396 -5.633 1.387 1.00 0.35 H new ATOM 0 HA VAL A 54 1.912 -4.062 1.057 1.00 0.35 H new ATOM 0 HB VAL A 54 -0.952 -3.283 1.724 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -0.430 -1.186 0.541 1.00 0.44 H new ATOM 0 HG12 VAL A 54 0.598 -1.420 1.974 1.00 0.44 H new ATOM 0 HG13 VAL A 54 1.256 -1.720 0.349 1.00 0.44 H new ATOM 0 HG21 VAL A 54 -1.322 -3.150 -0.708 1.00 0.42 H new ATOM 0 HG22 VAL A 54 0.303 -3.819 -0.987 1.00 0.42 H new ATOM 0 HG23 VAL A 54 -0.938 -4.805 -0.178 1.00 0.42 H new ATOM 815 N GLU A 55 0.553 -4.022 4.068 1.00 0.39 N ATOM 816 CA GLU A 55 0.748 -3.700 5.462 1.00 0.41 C ATOM 817 C GLU A 55 2.051 -4.345 5.935 1.00 0.31 C ATOM 818 O GLU A 55 2.909 -3.680 6.514 1.00 0.25 O ATOM 819 CB GLU A 55 -0.473 -4.191 6.247 1.00 0.56 C ATOM 820 CG GLU A 55 -0.556 -3.494 7.604 1.00 0.62 C ATOM 821 CD GLU A 55 -1.765 -3.986 8.381 1.00 1.69 C ATOM 822 OE1 GLU A 55 -1.668 -5.109 8.921 1.00 2.22 O ATOM 823 OE2 GLU A 55 -2.771 -3.246 8.387 1.00 2.93 O ATOM 0 H GLU A 55 -0.295 -4.565 3.903 1.00 0.39 H new ATOM 0 HA GLU A 55 0.837 -2.625 5.622 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -1.381 -3.997 5.676 1.00 0.56 H new ATOM 0 HB3 GLU A 55 -0.411 -5.270 6.389 1.00 0.56 H new ATOM 0 HG2 GLU A 55 0.353 -3.686 8.174 1.00 0.62 H new ATOM 0 HG3 GLU A 55 -0.622 -2.415 7.462 1.00 0.62 H new ATOM 830 N GLN A 56 2.222 -5.639 5.637 1.00 0.35 N ATOM 831 CA GLN A 56 3.427 -6.378 5.969 1.00 0.34 C ATOM 832 C GLN A 56 4.656 -5.687 5.374 1.00 0.29 C ATOM 833 O GLN A 56 5.592 -5.386 6.108 1.00 0.32 O ATOM 834 CB GLN A 56 3.279 -7.843 5.538 1.00 0.43 C ATOM 835 CG GLN A 56 4.440 -8.690 6.068 1.00 0.48 C ATOM 836 CD GLN A 56 4.139 -10.180 5.949 1.00 2.01 C ATOM 837 OE1 GLN A 56 4.615 -10.849 5.040 1.00 2.99 O ATOM 838 NE2 GLN A 56 3.352 -10.718 6.876 1.00 3.31 N ATOM 0 H GLN A 56 1.518 -6.198 5.155 1.00 0.35 H new ATOM 0 HA GLN A 56 3.575 -6.385 7.049 1.00 0.34 H new ATOM 0 HB2 GLN A 56 2.334 -8.241 5.909 1.00 0.43 H new ATOM 0 HB3 GLN A 56 3.246 -7.904 4.450 1.00 0.43 H new ATOM 0 HG2 GLN A 56 5.348 -8.455 5.512 1.00 0.48 H new ATOM 0 HG3 GLN A 56 4.630 -8.438 7.111 1.00 0.48 H new ATOM 0 HE21 GLN A 56 2.970 -10.136 7.621 1.00 3.31 H new ATOM 0 HE22 GLN A 56 3.130 -11.713 6.842 1.00 3.31 H new ATOM 847 N ALA A 57 4.650 -5.376 4.073 1.00 0.29 N ATOM 848 CA ALA A 57 5.656 -4.503 3.479 1.00 0.32 C ATOM 849 C ALA A 57 5.831 -3.226 4.312 1.00 0.28 C ATOM 850 O ALA A 57 6.939 -2.881 4.722 1.00 0.33 O ATOM 851 CB ALA A 57 5.243 -4.168 2.042 1.00 0.37 C ATOM 0 H ALA A 57 3.954 -5.721 3.412 1.00 0.29 H new ATOM 0 HA ALA A 57 6.617 -5.017 3.465 1.00 0.32 H new ATOM 0 HB1 ALA A 57 5.991 -3.515 1.591 1.00 0.37 H new ATOM 0 HB2 ALA A 57 5.167 -5.087 1.462 1.00 0.37 H new ATOM 0 HB3 ALA A 57 4.277 -3.663 2.049 1.00 0.37 H new ATOM 857 N GLY A 58 4.723 -2.536 4.580 1.00 0.25 N ATOM 858 CA GLY A 58 4.671 -1.283 5.295 1.00 0.27 C ATOM 859 C GLY A 58 5.275 -1.356 6.682 1.00 0.27 C ATOM 860 O GLY A 58 5.635 -0.312 7.224 1.00 0.31 O ATOM 0 H GLY A 58 3.801 -2.859 4.287 1.00 0.25 H new ATOM 0 HA2 GLY A 58 5.196 -0.522 4.718 1.00 0.27 H new ATOM 0 HA3 GLY A 58 3.632 -0.962 5.376 1.00 0.27 H new ATOM 864 N ALA A 59 5.435 -2.556 7.246 1.00 0.30 N ATOM 865 CA ALA A 59 6.182 -2.760 8.474 1.00 0.33 C ATOM 866 C ALA A 59 7.556 -2.083 8.439 1.00 0.37 C ATOM 867 O ALA A 59 8.077 -1.785 9.509 1.00 0.46 O ATOM 868 CB ALA A 59 6.327 -4.250 8.781 1.00 0.47 C ATOM 0 H ALA A 59 5.045 -3.414 6.855 1.00 0.30 H new ATOM 0 HA ALA A 59 5.610 -2.290 9.274 1.00 0.33 H new ATOM 0 HB1 ALA A 59 6.890 -4.378 9.705 1.00 0.47 H new ATOM 0 HB2 ALA A 59 5.339 -4.696 8.893 1.00 0.47 H new ATOM 0 HB3 ALA A 59 6.856 -4.740 7.963 1.00 0.47 H new ATOM 874 N PHE A 60 8.140 -1.802 7.263 1.00 0.38 N ATOM 875 CA PHE A 60 9.375 -1.020 7.223 1.00 0.47 C ATOM 876 C PHE A 60 9.246 0.339 7.932 1.00 0.47 C ATOM 877 O PHE A 60 10.237 0.819 8.473 1.00 0.55 O ATOM 878 CB PHE A 60 9.962 -0.911 5.800 1.00 0.57 C ATOM 879 CG PHE A 60 9.240 -0.027 4.791 1.00 0.56 C ATOM 880 CD1 PHE A 60 9.300 1.376 4.897 1.00 1.65 C ATOM 881 CD2 PHE A 60 8.615 -0.602 3.666 1.00 1.89 C ATOM 882 CE1 PHE A 60 8.601 2.186 3.983 1.00 1.73 C ATOM 883 CE2 PHE A 60 7.902 0.203 2.761 1.00 1.85 C ATOM 884 CZ PHE A 60 7.874 1.596 2.934 1.00 0.66 C ATOM 0 H PHE A 60 7.785 -2.097 6.353 1.00 0.38 H new ATOM 0 HA PHE A 60 10.108 -1.581 7.803 1.00 0.47 H new ATOM 0 HB2 PHE A 60 10.986 -0.548 5.889 1.00 0.57 H new ATOM 0 HB3 PHE A 60 10.016 -1.917 5.384 1.00 0.57 H new ATOM 0 HD1 PHE A 60 9.884 1.832 5.682 1.00 1.65 H new ATOM 0 HD2 PHE A 60 8.684 -1.667 3.499 1.00 1.89 H new ATOM 0 HE1 PHE A 60 8.623 3.261 4.087 1.00 1.73 H new ATOM 0 HE2 PHE A 60 7.376 -0.250 1.933 1.00 1.85 H new ATOM 0 HZ PHE A 60 7.295 2.213 2.263 1.00 0.66 H new ATOM 894 N GLU A 61 8.057 0.959 7.912 1.00 0.41 N ATOM 895 CA GLU A 61 7.773 2.257 8.528 1.00 0.45 C ATOM 896 C GLU A 61 6.702 2.140 9.638 1.00 0.47 C ATOM 897 O GLU A 61 6.683 2.954 10.557 1.00 0.85 O ATOM 898 CB GLU A 61 7.370 3.215 7.397 1.00 0.52 C ATOM 899 CG GLU A 61 7.130 4.681 7.800 1.00 1.20 C ATOM 900 CD GLU A 61 8.320 5.564 7.454 1.00 1.03 C ATOM 901 OE1 GLU A 61 9.380 5.370 8.082 1.00 2.16 O ATOM 902 OE2 GLU A 61 8.153 6.389 6.530 1.00 2.06 O ATOM 0 H GLU A 61 7.242 0.555 7.451 1.00 0.41 H new ATOM 0 HA GLU A 61 8.654 2.649 9.037 1.00 0.45 H new ATOM 0 HB2 GLU A 61 8.149 3.192 6.635 1.00 0.52 H new ATOM 0 HB3 GLU A 61 6.460 2.834 6.933 1.00 0.52 H new ATOM 0 HG2 GLU A 61 6.240 5.056 7.295 1.00 1.20 H new ATOM 0 HG3 GLU A 61 6.935 4.736 8.871 1.00 1.20 H new ATOM 909 N HIS A 62 5.832 1.122 9.571 1.00 0.31 N ATOM 910 CA HIS A 62 4.746 0.809 10.504 1.00 0.34 C ATOM 911 C HIS A 62 3.481 1.629 10.188 1.00 0.33 C ATOM 912 O HIS A 62 3.013 2.396 11.028 1.00 0.41 O ATOM 913 CB HIS A 62 5.160 0.951 11.986 1.00 0.38 C ATOM 914 CG HIS A 62 6.515 0.414 12.389 1.00 0.41 C ATOM 915 ND1 HIS A 62 7.252 -0.567 11.765 1.00 0.45 N ATOM 916 CD2 HIS A 62 7.251 0.855 13.455 1.00 0.60 C ATOM 917 CE1 HIS A 62 8.400 -0.713 12.447 1.00 0.63 C ATOM 918 NE2 HIS A 62 8.444 0.126 13.493 1.00 0.74 N ATOM 0 H HIS A 62 5.874 0.448 8.806 1.00 0.31 H new ATOM 0 HA HIS A 62 4.510 -0.245 10.356 1.00 0.34 H new ATOM 0 HB2 HIS A 62 5.128 2.010 12.244 1.00 0.38 H new ATOM 0 HB3 HIS A 62 4.406 0.452 12.595 1.00 0.38 H new ATOM 0 HD1 HIS A 62 6.976 -1.089 10.934 1.00 0.45 H new ATOM 0 HD2 HIS A 62 6.961 1.632 14.147 1.00 0.60 H new ATOM 0 HE1 HIS A 62 9.182 -1.411 12.188 1.00 0.63 H new ATOM 926 N LEU A 63 2.905 1.483 8.985 1.00 0.30 N ATOM 927 CA LEU A 63 1.728 2.276 8.607 1.00 0.32 C ATOM 928 C LEU A 63 0.442 1.698 9.199 1.00 0.36 C ATOM 929 O LEU A 63 0.437 0.554 9.648 1.00 0.50 O ATOM 930 CB LEU A 63 1.625 2.389 7.080 1.00 0.36 C ATOM 931 CG LEU A 63 2.548 3.459 6.495 1.00 0.45 C ATOM 932 CD1 LEU A 63 2.106 4.851 6.944 1.00 1.32 C ATOM 933 CD2 LEU A 63 4.012 3.240 6.862 1.00 1.16 C ATOM 0 H LEU A 63 3.229 0.834 8.268 1.00 0.30 H new ATOM 0 HA LEU A 63 1.854 3.276 9.022 1.00 0.32 H new ATOM 0 HB2 LEU A 63 1.867 1.425 6.633 1.00 0.36 H new ATOM 0 HB3 LEU A 63 0.595 2.617 6.807 1.00 0.36 H new ATOM 0 HG LEU A 63 2.469 3.379 5.411 1.00 0.45 H new ATOM 0 HD11 LEU A 63 2.774 5.600 6.518 1.00 1.32 H new ATOM 0 HD12 LEU A 63 1.088 5.037 6.603 1.00 1.32 H new ATOM 0 HD13 LEU A 63 2.141 4.910 8.032 1.00 1.32 H new ATOM 0 HD21 LEU A 63 4.620 4.029 6.420 1.00 1.16 H new ATOM 0 HD22 LEU A 63 4.122 3.261 7.946 1.00 1.16 H new ATOM 0 HD23 LEU A 63 4.341 2.273 6.483 1.00 1.16 H new ATOM 945 N LYS A 64 -0.655 2.475 9.181 1.00 0.37 N ATOM 946 CA LYS A 64 -1.960 2.013 9.614 1.00 0.39 C ATOM 947 C LYS A 64 -2.903 2.165 8.425 1.00 0.47 C ATOM 948 O LYS A 64 -3.148 3.289 7.990 1.00 1.01 O ATOM 949 CB LYS A 64 -2.391 2.752 10.895 1.00 0.48 C ATOM 950 CG LYS A 64 -2.233 4.283 10.968 1.00 0.55 C ATOM 951 CD LYS A 64 -3.442 5.042 10.400 1.00 2.04 C ATOM 952 CE LYS A 64 -3.741 6.291 11.268 1.00 2.94 C ATOM 953 NZ LYS A 64 -4.881 7.126 10.815 1.00 4.90 N ATOM 0 H LYS A 64 -0.648 3.444 8.862 1.00 0.37 H new ATOM 0 HA LYS A 64 -1.962 0.962 9.903 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -3.442 2.522 11.069 1.00 0.48 H new ATOM 0 HB3 LYS A 64 -1.829 2.324 11.725 1.00 0.48 H new ATOM 0 HG2 LYS A 64 -2.082 4.577 12.007 1.00 0.55 H new ATOM 0 HG3 LYS A 64 -1.337 4.576 10.420 1.00 0.55 H new ATOM 0 HD2 LYS A 64 -3.242 5.343 9.372 1.00 2.04 H new ATOM 0 HD3 LYS A 64 -4.314 4.388 10.377 1.00 2.04 H new ATOM 0 HE2 LYS A 64 -3.936 5.964 12.289 1.00 2.94 H new ATOM 0 HE3 LYS A 64 -2.847 6.913 11.298 1.00 2.94 H new ATOM 0 HZ1 LYS A 64 -4.551 8.096 10.637 1.00 4.90 H new ATOM 0 HZ2 LYS A 64 -5.276 6.728 9.939 1.00 4.90 H new ATOM 0 HZ3 LYS A 64 -5.615 7.140 11.551 1.00 4.90 H new ATOM 967 N ILE A 65 -3.363 1.043 7.855 1.00 0.29 N ATOM 968 CA ILE A 65 -4.213 1.035 6.672 1.00 0.27 C ATOM 969 C ILE A 65 -5.582 0.467 7.051 1.00 0.33 C ATOM 970 O ILE A 65 -5.667 -0.597 7.657 1.00 0.51 O ATOM 971 CB ILE A 65 -3.571 0.267 5.498 1.00 0.29 C ATOM 972 CG1 ILE A 65 -2.039 0.391 5.482 1.00 0.33 C ATOM 973 CG2 ILE A 65 -4.235 0.758 4.209 1.00 0.29 C ATOM 974 CD1 ILE A 65 -1.342 0.072 4.160 1.00 0.45 C ATOM 0 H ILE A 65 -3.150 0.111 8.210 1.00 0.29 H new ATOM 0 HA ILE A 65 -4.337 2.058 6.318 1.00 0.27 H new ATOM 0 HB ILE A 65 -3.746 -0.803 5.607 1.00 0.29 H new ATOM 0 HG12 ILE A 65 -1.776 1.409 5.769 1.00 0.33 H new ATOM 0 HG13 ILE A 65 -1.635 -0.270 6.249 1.00 0.33 H new ATOM 0 HG21 ILE A 65 -3.804 0.235 3.356 1.00 0.29 H new ATOM 0 HG22 ILE A 65 -5.306 0.560 4.253 1.00 0.29 H new ATOM 0 HG23 ILE A 65 -4.068 1.830 4.099 1.00 0.29 H new ATOM 0 HD11 ILE A 65 -0.265 0.196 4.277 1.00 0.45 H new ATOM 0 HD12 ILE A 65 -1.560 -0.957 3.873 1.00 0.45 H new ATOM 0 HD13 ILE A 65 -1.703 0.749 3.386 1.00 0.45 H new ATOM 986 N ILE A 66 -6.651 1.195 6.729 1.00 0.30 N ATOM 987 CA ILE A 66 -8.014 0.905 7.144 1.00 0.41 C ATOM 988 C ILE A 66 -8.829 0.487 5.910 1.00 0.30 C ATOM 989 O ILE A 66 -8.870 1.242 4.934 1.00 0.30 O ATOM 990 CB ILE A 66 -8.616 2.155 7.813 1.00 0.63 C ATOM 991 CG1 ILE A 66 -7.705 2.772 8.896 1.00 1.02 C ATOM 992 CG2 ILE A 66 -10.005 1.843 8.390 1.00 0.69 C ATOM 993 CD1 ILE A 66 -7.341 1.827 10.048 1.00 1.42 C ATOM 0 H ILE A 66 -6.584 2.033 6.151 1.00 0.30 H new ATOM 0 HA ILE A 66 -8.032 0.089 7.866 1.00 0.41 H new ATOM 0 HB ILE A 66 -8.710 2.906 7.028 1.00 0.63 H new ATOM 0 HG12 ILE A 66 -6.785 3.117 8.423 1.00 1.02 H new ATOM 0 HG13 ILE A 66 -8.200 3.651 9.309 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -10.414 2.738 8.858 1.00 0.69 H new ATOM 0 HG22 ILE A 66 -10.668 1.518 7.588 1.00 0.69 H new ATOM 0 HG23 ILE A 66 -9.920 1.051 9.134 1.00 0.69 H new ATOM 0 HD11 ILE A 66 -6.699 2.349 10.758 1.00 1.42 H new ATOM 0 HD12 ILE A 66 -8.251 1.501 10.553 1.00 1.42 H new ATOM 0 HD13 ILE A 66 -6.814 0.958 9.653 1.00 1.42 H new ATOM 1005 N PRO A 67 -9.486 -0.688 5.925 1.00 0.35 N ATOM 1006 CA PRO A 67 -10.335 -1.136 4.832 1.00 0.40 C ATOM 1007 C PRO A 67 -11.627 -0.318 4.803 1.00 0.49 C ATOM 1008 O PRO A 67 -12.603 -0.661 5.469 1.00 0.70 O ATOM 1009 CB PRO A 67 -10.592 -2.624 5.102 1.00 0.57 C ATOM 1010 CG PRO A 67 -10.503 -2.732 6.624 1.00 0.59 C ATOM 1011 CD PRO A 67 -9.452 -1.682 6.989 1.00 0.53 C ATOM 0 HA PRO A 67 -9.874 -0.999 3.854 1.00 0.40 H new ATOM 0 HB2 PRO A 67 -11.570 -2.935 4.734 1.00 0.57 H new ATOM 0 HB3 PRO A 67 -9.851 -3.255 4.611 1.00 0.57 H new ATOM 0 HG2 PRO A 67 -11.462 -2.524 7.099 1.00 0.59 H new ATOM 0 HG3 PRO A 67 -10.201 -3.731 6.940 1.00 0.59 H new ATOM 0 HD2 PRO A 67 -9.675 -1.227 7.954 1.00 0.53 H new ATOM 0 HD3 PRO A 67 -8.463 -2.133 7.070 1.00 0.53 H new ATOM 1019 N GLU A 68 -11.635 0.770 4.030 1.00 0.53 N ATOM 1020 CA GLU A 68 -12.813 1.605 3.882 1.00 0.68 C ATOM 1021 C GLU A 68 -13.977 0.811 3.276 1.00 1.12 C ATOM 1022 O GLU A 68 -13.918 0.352 2.138 1.00 2.41 O ATOM 1023 CB GLU A 68 -12.481 2.892 3.112 1.00 0.87 C ATOM 1024 CG GLU A 68 -11.874 2.703 1.714 1.00 2.63 C ATOM 1025 CD GLU A 68 -11.616 4.017 0.989 1.00 3.00 C ATOM 1026 OE1 GLU A 68 -11.852 5.108 1.557 1.00 2.99 O ATOM 1027 OE2 GLU A 68 -11.129 3.977 -0.158 1.00 3.91 O ATOM 0 H GLU A 68 -10.827 1.089 3.495 1.00 0.53 H new ATOM 0 HA GLU A 68 -13.147 1.922 4.870 1.00 0.68 H new ATOM 0 HB2 GLU A 68 -13.394 3.479 3.013 1.00 0.87 H new ATOM 0 HB3 GLU A 68 -11.787 3.481 3.711 1.00 0.87 H new ATOM 0 HG2 GLU A 68 -10.936 2.155 1.803 1.00 2.63 H new ATOM 0 HG3 GLU A 68 -12.546 2.090 1.113 1.00 2.63 H new ATOM 1034 N LYS A 69 -15.055 0.653 4.046 1.00 1.35 N ATOM 1035 CA LYS A 69 -16.311 0.111 3.560 1.00 1.73 C ATOM 1036 C LYS A 69 -17.202 1.286 3.176 1.00 2.53 C ATOM 1037 O LYS A 69 -18.059 1.699 3.953 1.00 3.54 O ATOM 1038 CB LYS A 69 -16.942 -0.776 4.640 1.00 2.34 C ATOM 1039 CG LYS A 69 -16.151 -2.082 4.772 1.00 2.92 C ATOM 1040 CD LYS A 69 -16.761 -2.942 5.887 1.00 3.74 C ATOM 1041 CE LYS A 69 -16.212 -4.376 5.882 1.00 4.87 C ATOM 1042 NZ LYS A 69 -16.702 -5.159 4.728 1.00 5.10 N ATOM 0 H LYS A 69 -15.074 0.903 5.035 1.00 1.35 H new ATOM 0 HA LYS A 69 -16.165 -0.520 2.683 1.00 1.73 H new ATOM 0 HB2 LYS A 69 -16.953 -0.249 5.594 1.00 2.34 H new ATOM 0 HB3 LYS A 69 -17.979 -0.993 4.384 1.00 2.34 H new ATOM 0 HG2 LYS A 69 -16.168 -2.627 3.828 1.00 2.92 H new ATOM 0 HG3 LYS A 69 -15.106 -1.865 4.996 1.00 2.92 H new ATOM 0 HD2 LYS A 69 -16.556 -2.480 6.853 1.00 3.74 H new ATOM 0 HD3 LYS A 69 -17.844 -2.969 5.770 1.00 3.74 H new ATOM 0 HE2 LYS A 69 -15.123 -4.346 5.862 1.00 4.87 H new ATOM 0 HE3 LYS A 69 -16.500 -4.876 6.807 1.00 4.87 H new ATOM 0 HZ1 LYS A 69 -16.447 -6.159 4.854 1.00 5.10 H new ATOM 0 HZ2 LYS A 69 -17.736 -5.071 4.663 1.00 5.10 H new ATOM 0 HZ3 LYS A 69 -16.268 -4.798 3.854 1.00 5.10 H new ATOM 1056 N GLU A 70 -16.965 1.837 1.984 1.00 3.28 N ATOM 1057 CA GLU A 70 -17.811 2.876 1.421 1.00 4.51 C ATOM 1058 C GLU A 70 -19.221 2.299 1.246 1.00 5.07 C ATOM 1059 O GLU A 70 -19.371 1.197 0.715 1.00 5.48 O ATOM 1060 CB GLU A 70 -17.174 3.369 0.113 1.00 5.58 C ATOM 1061 CG GLU A 70 -17.713 4.731 -0.341 1.00 6.71 C ATOM 1062 CD GLU A 70 -16.740 5.390 -1.313 1.00 8.03 C ATOM 1063 OE1 GLU A 70 -15.828 6.083 -0.810 1.00 8.70 O ATOM 1064 OE2 GLU A 70 -16.905 5.160 -2.529 1.00 8.86 O ATOM 0 H GLU A 70 -16.181 1.572 1.387 1.00 3.28 H new ATOM 0 HA GLU A 70 -17.898 3.745 2.073 1.00 4.51 H new ATOM 0 HB2 GLU A 70 -16.094 3.438 0.245 1.00 5.58 H new ATOM 0 HB3 GLU A 70 -17.353 2.634 -0.671 1.00 5.58 H new ATOM 0 HG2 GLU A 70 -18.684 4.604 -0.819 1.00 6.71 H new ATOM 0 HG3 GLU A 70 -17.865 5.376 0.524 1.00 6.71 H new ATOM 1071 N ALA A 71 -20.234 2.995 1.763 1.00 5.74 N ATOM 1072 CA ALA A 71 -21.602 2.538 1.903 1.00 6.74 C ATOM 1073 C ALA A 71 -22.416 3.774 2.275 1.00 7.80 C ATOM 1074 O ALA A 71 -21.758 4.788 2.612 1.00 8.36 O ATOM 1075 CB ALA A 71 -21.691 1.487 3.015 1.00 7.00 C ATOM 1076 OXT ALA A 71 -23.662 3.683 2.226 1.00 8.56 O ATOM 0 H ALA A 71 -20.107 3.945 2.112 1.00 5.74 H new ATOM 0 HA ALA A 71 -21.972 2.077 0.987 1.00 6.74 H new ATOM 0 HB1 ALA A 71 -22.722 1.149 3.114 1.00 7.00 H new ATOM 0 HB2 ALA A 71 -21.053 0.639 2.766 1.00 7.00 H new ATOM 0 HB3 ALA A 71 -21.361 1.925 3.957 1.00 7.00 H new TER 1082 ALA A 71