USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.193 (180deg=0.000914) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00692 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 CYS SG : rot -113:sc= 0.265 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.882 X(o=-0.88,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= 0.98 (180deg=0.559) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00709 X(o=-0.0071,f=-0.0071) USER MOD Single : A 41 SER OG : rot -23:sc= 0.263 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.32) USER MOD Single : A 62 HIS : no HE2:sc= -0.366 K(o=-0.37,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0218) USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 1.19 (180deg=0.869) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.921 -13.808 -4.452 1.00 7.37 N ATOM 2 CA MET A 1 -14.885 -12.338 -4.533 1.00 6.50 C ATOM 3 C MET A 1 -13.436 -11.918 -4.320 1.00 6.16 C ATOM 4 O MET A 1 -12.730 -12.644 -3.625 1.00 7.14 O ATOM 5 CB MET A 1 -15.786 -11.701 -3.462 1.00 7.49 C ATOM 6 CG MET A 1 -17.145 -11.260 -4.018 1.00 7.68 C ATOM 7 SD MET A 1 -18.236 -10.532 -2.768 1.00 9.35 S ATOM 8 CE MET A 1 -19.580 -9.939 -3.818 1.00 9.51 C ATOM 0 H1 MET A 1 -15.789 -14.108 -3.964 1.00 7.37 H new ATOM 0 H2 MET A 1 -14.907 -14.209 -5.411 1.00 7.37 H new ATOM 0 H3 MET A 1 -14.092 -14.147 -3.923 1.00 7.37 H new ATOM 0 HA MET A 1 -15.255 -12.003 -5.502 1.00 6.50 H new ATOM 0 HB2 MET A 1 -15.943 -12.415 -2.654 1.00 7.49 H new ATOM 0 HB3 MET A 1 -15.277 -10.839 -3.031 1.00 7.49 H new ATOM 0 HG2 MET A 1 -16.984 -10.534 -4.815 1.00 7.68 H new ATOM 0 HG3 MET A 1 -17.642 -12.121 -4.466 1.00 7.68 H new ATOM 0 HE1 MET A 1 -20.341 -9.461 -3.200 1.00 9.51 H new ATOM 0 HE2 MET A 1 -19.190 -9.218 -4.536 1.00 9.51 H new ATOM 0 HE3 MET A 1 -20.022 -10.780 -4.353 1.00 9.51 H new ATOM 20 N ALA A 2 -13.022 -10.796 -4.910 1.00 5.18 N ATOM 21 CA ALA A 2 -11.701 -10.203 -4.746 1.00 5.03 C ATOM 22 C ALA A 2 -11.727 -8.827 -5.410 1.00 3.42 C ATOM 23 O ALA A 2 -11.795 -7.811 -4.726 1.00 4.14 O ATOM 24 CB ALA A 2 -10.609 -11.103 -5.343 1.00 5.89 C ATOM 0 H ALA A 2 -13.621 -10.259 -5.537 1.00 5.18 H new ATOM 0 HA ALA A 2 -11.461 -10.098 -3.688 1.00 5.03 H new ATOM 0 HB1 ALA A 2 -9.635 -10.634 -5.205 1.00 5.89 H new ATOM 0 HB2 ALA A 2 -10.620 -12.070 -4.841 1.00 5.89 H new ATOM 0 HB3 ALA A 2 -10.796 -11.245 -6.407 1.00 5.89 H new ATOM 30 N GLU A 3 -11.757 -8.815 -6.747 1.00 1.91 N ATOM 31 CA GLU A 3 -11.827 -7.605 -7.552 1.00 1.30 C ATOM 32 C GLU A 3 -10.623 -6.696 -7.258 1.00 0.93 C ATOM 33 O GLU A 3 -9.548 -7.170 -6.886 1.00 1.39 O ATOM 34 CB GLU A 3 -13.192 -6.918 -7.327 1.00 3.36 C ATOM 35 CG GLU A 3 -13.721 -6.215 -8.587 1.00 4.55 C ATOM 36 CD GLU A 3 -14.258 -7.227 -9.590 1.00 4.65 C ATOM 37 OE1 GLU A 3 -15.337 -7.786 -9.298 1.00 5.23 O ATOM 38 OE2 GLU A 3 -13.567 -7.433 -10.608 1.00 4.91 O ATOM 0 H GLU A 3 -11.732 -9.668 -7.305 1.00 1.91 H new ATOM 0 HA GLU A 3 -11.765 -7.849 -8.613 1.00 1.30 H new ATOM 0 HB2 GLU A 3 -13.918 -7.662 -7.000 1.00 3.36 H new ATOM 0 HB3 GLU A 3 -13.098 -6.189 -6.522 1.00 3.36 H new ATOM 0 HG2 GLU A 3 -14.510 -5.515 -8.313 1.00 4.55 H new ATOM 0 HG3 GLU A 3 -12.922 -5.632 -9.045 1.00 4.55 H new ATOM 45 N LYS A 4 -10.810 -5.386 -7.417 1.00 0.74 N ATOM 46 CA LYS A 4 -9.879 -4.366 -6.966 1.00 0.49 C ATOM 47 C LYS A 4 -10.388 -3.815 -5.641 1.00 0.43 C ATOM 48 O LYS A 4 -11.587 -3.884 -5.366 1.00 0.52 O ATOM 49 CB LYS A 4 -9.747 -3.281 -8.042 1.00 0.79 C ATOM 50 CG LYS A 4 -10.975 -2.371 -8.183 1.00 1.34 C ATOM 51 CD LYS A 4 -10.906 -1.640 -9.530 1.00 1.88 C ATOM 52 CE LYS A 4 -11.746 -0.357 -9.504 1.00 2.63 C ATOM 53 NZ LYS A 4 -11.859 0.256 -10.844 1.00 3.75 N ATOM 0 H LYS A 4 -11.636 -5.001 -7.875 1.00 0.74 H new ATOM 0 HA LYS A 4 -8.882 -4.778 -6.807 1.00 0.49 H new ATOM 0 HB2 LYS A 4 -8.878 -2.664 -7.813 1.00 0.79 H new ATOM 0 HB3 LYS A 4 -9.554 -3.760 -9.002 1.00 0.79 H new ATOM 0 HG2 LYS A 4 -11.889 -2.961 -8.122 1.00 1.34 H new ATOM 0 HG3 LYS A 4 -11.005 -1.651 -7.365 1.00 1.34 H new ATOM 0 HD2 LYS A 4 -9.869 -1.395 -9.762 1.00 1.88 H new ATOM 0 HD3 LYS A 4 -11.264 -2.297 -10.323 1.00 1.88 H new ATOM 0 HE2 LYS A 4 -12.742 -0.583 -9.123 1.00 2.63 H new ATOM 0 HE3 LYS A 4 -11.296 0.358 -8.815 1.00 2.63 H new ATOM 0 HZ1 LYS A 4 -12.434 1.120 -10.783 1.00 3.75 H new ATOM 0 HZ2 LYS A 4 -10.911 0.495 -11.197 1.00 3.75 H new ATOM 0 HZ3 LYS A 4 -12.312 -0.416 -11.496 1.00 3.75 H new ATOM 67 N THR A 5 -9.517 -3.246 -4.810 1.00 0.35 N ATOM 68 CA THR A 5 -9.949 -2.664 -3.545 1.00 0.33 C ATOM 69 C THR A 5 -9.018 -1.541 -3.218 1.00 0.28 C ATOM 70 O THR A 5 -7.837 -1.615 -3.549 1.00 0.35 O ATOM 71 CB THR A 5 -9.962 -3.701 -2.411 1.00 0.40 C ATOM 72 OG1 THR A 5 -10.919 -4.643 -2.782 1.00 0.53 O ATOM 73 CG2 THR A 5 -10.417 -3.125 -1.065 1.00 0.45 C ATOM 0 H THR A 5 -8.515 -3.177 -4.990 1.00 0.35 H new ATOM 0 HA THR A 5 -10.972 -2.301 -3.645 1.00 0.33 H new ATOM 0 HB THR A 5 -8.952 -4.089 -2.280 1.00 0.40 H new ATOM 0 HG1 THR A 5 -10.976 -5.340 -2.095 1.00 0.53 H new ATOM 0 HG21 THR A 5 -10.403 -3.911 -0.310 1.00 0.45 H new ATOM 0 HG22 THR A 5 -9.743 -2.322 -0.766 1.00 0.45 H new ATOM 0 HG23 THR A 5 -11.429 -2.732 -1.161 1.00 0.45 H new ATOM 81 N VAL A 6 -9.564 -0.518 -2.566 1.00 0.32 N ATOM 82 CA VAL A 6 -8.784 0.551 -2.022 1.00 0.27 C ATOM 83 C VAL A 6 -9.039 0.684 -0.531 1.00 0.27 C ATOM 84 O VAL A 6 -10.143 0.423 -0.059 1.00 0.38 O ATOM 85 CB VAL A 6 -9.000 1.826 -2.851 1.00 0.31 C ATOM 86 CG1 VAL A 6 -10.469 2.131 -3.147 1.00 0.38 C ATOM 87 CG2 VAL A 6 -8.346 3.076 -2.250 1.00 0.32 C ATOM 0 H VAL A 6 -10.567 -0.422 -2.408 1.00 0.32 H new ATOM 0 HA VAL A 6 -7.718 0.338 -2.099 1.00 0.27 H new ATOM 0 HB VAL A 6 -8.499 1.591 -3.790 1.00 0.31 H new ATOM 0 HG11 VAL A 6 -10.539 3.046 -3.736 1.00 0.38 H new ATOM 0 HG12 VAL A 6 -10.907 1.304 -3.707 1.00 0.38 H new ATOM 0 HG13 VAL A 6 -11.010 2.261 -2.210 1.00 0.38 H new ATOM 0 HG21 VAL A 6 -8.543 3.934 -2.892 1.00 0.32 H new ATOM 0 HG22 VAL A 6 -8.759 3.262 -1.259 1.00 0.32 H new ATOM 0 HG23 VAL A 6 -7.270 2.921 -2.171 1.00 0.32 H new ATOM 97 N TYR A 7 -7.974 1.023 0.193 1.00 0.21 N ATOM 98 CA TYR A 7 -7.913 1.109 1.638 1.00 0.21 C ATOM 99 C TYR A 7 -7.302 2.474 1.954 1.00 0.21 C ATOM 100 O TYR A 7 -6.550 2.997 1.124 1.00 0.31 O ATOM 101 CB TYR A 7 -7.014 -0.018 2.168 1.00 0.21 C ATOM 102 CG TYR A 7 -7.279 -1.415 1.622 1.00 0.26 C ATOM 103 CD1 TYR A 7 -6.813 -1.778 0.343 1.00 1.83 C ATOM 104 CD2 TYR A 7 -7.850 -2.396 2.452 1.00 1.59 C ATOM 105 CE1 TYR A 7 -6.972 -3.096 -0.119 1.00 1.90 C ATOM 106 CE2 TYR A 7 -8.059 -3.700 1.970 1.00 1.54 C ATOM 107 CZ TYR A 7 -7.616 -4.049 0.684 1.00 0.45 C ATOM 108 OH TYR A 7 -7.721 -5.336 0.251 1.00 0.61 O ATOM 0 H TYR A 7 -7.083 1.257 -0.245 1.00 0.21 H new ATOM 0 HA TYR A 7 -8.894 1.005 2.102 1.00 0.21 H new ATOM 0 HB2 TYR A 7 -5.978 0.242 1.951 1.00 0.21 H new ATOM 0 HB3 TYR A 7 -7.113 -0.052 3.253 1.00 0.21 H new ATOM 0 HD1 TYR A 7 -6.332 -1.042 -0.284 1.00 1.83 H new ATOM 0 HD2 TYR A 7 -8.129 -2.146 3.465 1.00 1.59 H new ATOM 0 HE1 TYR A 7 -6.598 -3.375 -1.093 1.00 1.90 H new ATOM 0 HE2 TYR A 7 -8.559 -4.432 2.587 1.00 1.54 H new ATOM 0 HH TYR A 7 -8.193 -5.870 0.924 1.00 0.61 H new ATOM 118 N ARG A 8 -7.601 3.054 3.121 1.00 0.17 N ATOM 119 CA ARG A 8 -6.947 4.293 3.536 1.00 0.24 C ATOM 120 C ARG A 8 -5.759 3.983 4.437 1.00 0.23 C ATOM 121 O ARG A 8 -5.811 2.998 5.168 1.00 0.46 O ATOM 122 CB ARG A 8 -7.911 5.245 4.236 1.00 0.44 C ATOM 123 CG ARG A 8 -8.899 5.865 3.242 1.00 0.85 C ATOM 124 CD ARG A 8 -9.745 6.915 3.963 1.00 1.08 C ATOM 125 NE ARG A 8 -10.710 7.554 3.060 1.00 2.03 N ATOM 126 CZ ARG A 8 -11.458 8.615 3.399 1.00 2.71 C ATOM 127 NH1 ARG A 8 -11.447 9.056 4.661 1.00 2.91 N ATOM 128 NH2 ARG A 8 -12.198 9.234 2.472 1.00 3.92 N ATOM 0 H ARG A 8 -8.283 2.689 3.786 1.00 0.17 H new ATOM 0 HA ARG A 8 -6.595 4.795 2.635 1.00 0.24 H new ATOM 0 HB2 ARG A 8 -8.459 4.707 5.010 1.00 0.44 H new ATOM 0 HB3 ARG A 8 -7.349 6.035 4.734 1.00 0.44 H new ATOM 0 HG2 ARG A 8 -8.360 6.322 2.412 1.00 0.85 H new ATOM 0 HG3 ARG A 8 -9.540 5.092 2.818 1.00 0.85 H new ATOM 0 HD2 ARG A 8 -10.277 6.446 4.791 1.00 1.08 H new ATOM 0 HD3 ARG A 8 -9.092 7.675 4.393 1.00 1.08 H new ATOM 0 HE ARG A 8 -10.818 7.170 2.121 1.00 2.03 H new ATOM 0 HH11 ARG A 8 -10.872 8.586 5.360 1.00 2.91 H new ATOM 0 HH12 ARG A 8 -12.014 9.862 4.924 1.00 2.91 H new ATOM 0 HH21 ARG A 8 -12.193 8.899 1.509 1.00 3.92 H new ATOM 0 HH22 ARG A 8 -12.767 10.041 2.729 1.00 3.92 H new ATOM 142 N VAL A 9 -4.705 4.810 4.388 1.00 0.38 N ATOM 143 CA VAL A 9 -3.471 4.575 5.138 1.00 0.44 C ATOM 144 C VAL A 9 -2.965 5.874 5.766 1.00 0.57 C ATOM 145 O VAL A 9 -2.707 6.827 5.039 1.00 0.97 O ATOM 146 CB VAL A 9 -2.410 3.913 4.237 1.00 0.59 C ATOM 147 CG1 VAL A 9 -2.241 4.582 2.864 1.00 0.62 C ATOM 148 CG2 VAL A 9 -1.080 3.817 4.989 1.00 0.87 C ATOM 0 H VAL A 9 -4.688 5.661 3.825 1.00 0.38 H new ATOM 0 HA VAL A 9 -3.680 3.884 5.955 1.00 0.44 H new ATOM 0 HB VAL A 9 -2.773 2.911 4.009 1.00 0.59 H new ATOM 0 HG11 VAL A 9 -1.476 4.055 2.294 1.00 0.62 H new ATOM 0 HG12 VAL A 9 -3.186 4.546 2.323 1.00 0.62 H new ATOM 0 HG13 VAL A 9 -1.940 5.621 3.000 1.00 0.62 H new ATOM 0 HG21 VAL A 9 -0.333 3.348 4.348 1.00 0.87 H new ATOM 0 HG22 VAL A 9 -0.745 4.817 5.265 1.00 0.87 H new ATOM 0 HG23 VAL A 9 -1.214 3.217 5.889 1.00 0.87 H new ATOM 158 N ASP A 10 -2.815 5.909 7.094 1.00 0.60 N ATOM 159 CA ASP A 10 -2.423 7.117 7.822 1.00 0.63 C ATOM 160 C ASP A 10 -0.950 7.057 8.259 1.00 0.39 C ATOM 161 O ASP A 10 -0.227 6.116 7.924 1.00 0.71 O ATOM 162 CB ASP A 10 -3.379 7.297 9.013 1.00 0.93 C ATOM 163 CG ASP A 10 -3.639 8.767 9.323 1.00 1.55 C ATOM 164 OD1 ASP A 10 -2.652 9.446 9.681 1.00 2.81 O ATOM 165 OD2 ASP A 10 -4.810 9.177 9.192 1.00 2.12 O ATOM 0 H ASP A 10 -2.963 5.098 7.694 1.00 0.60 H new ATOM 0 HA ASP A 10 -2.503 7.986 7.169 1.00 0.63 H new ATOM 0 HB2 ASP A 10 -4.325 6.800 8.797 1.00 0.93 H new ATOM 0 HB3 ASP A 10 -2.957 6.811 9.893 1.00 0.93 H new ATOM 170 N GLY A 11 -0.498 8.035 9.048 1.00 0.77 N ATOM 171 CA GLY A 11 0.795 8.052 9.728 1.00 0.68 C ATOM 172 C GLY A 11 1.953 8.473 8.822 1.00 0.70 C ATOM 173 O GLY A 11 2.796 9.275 9.221 1.00 1.34 O ATOM 0 H GLY A 11 -1.049 8.872 9.237 1.00 0.77 H new ATOM 0 HA2 GLY A 11 0.742 8.733 10.577 1.00 0.68 H new ATOM 0 HA3 GLY A 11 0.999 7.059 10.129 1.00 0.68 H new ATOM 177 N LEU A 12 2.015 7.892 7.624 1.00 0.78 N ATOM 178 CA LEU A 12 3.026 8.175 6.611 1.00 0.91 C ATOM 179 C LEU A 12 3.206 9.669 6.329 1.00 0.95 C ATOM 180 O LEU A 12 2.295 10.464 6.549 1.00 1.33 O ATOM 181 CB LEU A 12 2.691 7.413 5.322 1.00 1.56 C ATOM 182 CG LEU A 12 1.238 7.540 4.819 1.00 2.20 C ATOM 183 CD1 LEU A 12 0.954 8.856 4.086 1.00 2.43 C ATOM 184 CD2 LEU A 12 1.009 6.414 3.822 1.00 3.30 C ATOM 0 H LEU A 12 1.340 7.189 7.324 1.00 0.78 H new ATOM 0 HA LEU A 12 3.981 7.832 7.008 1.00 0.91 H new ATOM 0 HB2 LEU A 12 3.359 7.761 4.534 1.00 1.56 H new ATOM 0 HB3 LEU A 12 2.908 6.357 5.481 1.00 1.56 H new ATOM 0 HG LEU A 12 0.584 7.501 5.690 1.00 2.20 H new ATOM 0 HD11 LEU A 12 -0.086 8.875 3.761 1.00 2.43 H new ATOM 0 HD12 LEU A 12 1.139 9.694 4.758 1.00 2.43 H new ATOM 0 HD13 LEU A 12 1.607 8.937 3.217 1.00 2.43 H new ATOM 0 HD21 LEU A 12 -0.011 6.468 3.441 1.00 3.30 H new ATOM 0 HD22 LEU A 12 1.712 6.512 2.994 1.00 3.30 H new ATOM 0 HD23 LEU A 12 1.162 5.454 4.316 1.00 3.30 H new ATOM 196 N SER A 13 4.381 10.050 5.809 1.00 1.09 N ATOM 197 CA SER A 13 4.646 11.416 5.365 1.00 1.50 C ATOM 198 C SER A 13 5.943 11.492 4.541 1.00 1.24 C ATOM 199 O SER A 13 6.813 12.309 4.836 1.00 1.60 O ATOM 200 CB SER A 13 4.677 12.372 6.577 1.00 2.33 C ATOM 201 OG SER A 13 4.412 13.699 6.162 1.00 2.83 O ATOM 0 H SER A 13 5.171 9.417 5.686 1.00 1.09 H new ATOM 0 HA SER A 13 3.836 11.733 4.708 1.00 1.50 H new ATOM 0 HB2 SER A 13 3.937 12.060 7.314 1.00 2.33 H new ATOM 0 HB3 SER A 13 5.652 12.323 7.063 1.00 2.33 H new ATOM 0 HG SER A 13 4.433 14.295 6.939 1.00 2.83 H new ATOM 207 N CYS A 14 6.115 10.645 3.513 1.00 0.97 N ATOM 208 CA CYS A 14 7.316 10.717 2.675 1.00 1.02 C ATOM 209 C CYS A 14 7.124 10.062 1.301 1.00 0.89 C ATOM 210 O CYS A 14 6.903 8.856 1.204 1.00 0.82 O ATOM 211 CB CYS A 14 8.499 10.080 3.410 1.00 1.37 C ATOM 212 SG CYS A 14 9.955 10.195 2.351 1.00 2.20 S ATOM 0 H CYS A 14 5.451 9.918 3.248 1.00 0.97 H new ATOM 0 HA CYS A 14 7.519 11.772 2.491 1.00 1.02 H new ATOM 0 HB2 CYS A 14 8.677 10.591 4.356 1.00 1.37 H new ATOM 0 HB3 CYS A 14 8.283 9.038 3.646 1.00 1.37 H new ATOM 0 HG CYS A 14 10.975 9.661 2.956 1.00 2.20 H new ATOM 218 N THR A 15 7.237 10.838 0.219 1.00 0.94 N ATOM 219 CA THR A 15 7.171 10.346 -1.154 1.00 0.91 C ATOM 220 C THR A 15 8.155 9.196 -1.406 1.00 0.75 C ATOM 221 O THR A 15 7.820 8.209 -2.056 1.00 0.67 O ATOM 222 CB THR A 15 7.451 11.527 -2.089 1.00 1.06 C ATOM 223 OG1 THR A 15 6.732 12.652 -1.623 1.00 1.65 O ATOM 224 CG2 THR A 15 7.063 11.218 -3.538 1.00 1.30 C ATOM 0 H THR A 15 7.380 11.846 0.278 1.00 0.94 H new ATOM 0 HA THR A 15 6.179 9.937 -1.343 1.00 0.91 H new ATOM 0 HB THR A 15 8.522 11.728 -2.082 1.00 1.06 H new ATOM 0 HG1 THR A 15 6.903 13.417 -2.212 1.00 1.65 H new ATOM 0 HG21 THR A 15 7.279 12.083 -4.165 1.00 1.30 H new ATOM 0 HG22 THR A 15 7.635 10.361 -3.893 1.00 1.30 H new ATOM 0 HG23 THR A 15 5.998 10.990 -3.589 1.00 1.30 H new ATOM 232 N ASN A 16 9.378 9.313 -0.883 1.00 0.75 N ATOM 233 CA ASN A 16 10.397 8.285 -1.029 1.00 0.68 C ATOM 234 C ASN A 16 9.880 6.952 -0.474 1.00 0.56 C ATOM 235 O ASN A 16 10.079 5.888 -1.059 1.00 0.54 O ATOM 236 CB ASN A 16 11.693 8.731 -0.336 1.00 0.78 C ATOM 237 CG ASN A 16 12.924 8.073 -0.951 1.00 1.73 C ATOM 238 OD1 ASN A 16 13.080 6.856 -0.907 1.00 3.15 O ATOM 239 ND2 ASN A 16 13.819 8.879 -1.522 1.00 2.20 N ATOM 0 H ASN A 16 9.684 10.125 -0.347 1.00 0.75 H new ATOM 0 HA ASN A 16 10.621 8.137 -2.085 1.00 0.68 H new ATOM 0 HB2 ASN A 16 11.788 9.815 -0.406 1.00 0.78 H new ATOM 0 HB3 ASN A 16 11.641 8.484 0.724 1.00 0.78 H new ATOM 0 HD21 ASN A 16 14.664 8.489 -1.939 1.00 2.20 H new ATOM 0 HD22 ASN A 16 13.659 9.886 -1.542 1.00 2.20 H new ATOM 246 N CYS A 17 9.161 7.028 0.651 1.00 0.54 N ATOM 247 CA CYS A 17 8.517 5.868 1.246 1.00 0.49 C ATOM 248 C CYS A 17 7.363 5.406 0.366 1.00 0.44 C ATOM 249 O CYS A 17 7.226 4.211 0.125 1.00 0.41 O ATOM 250 CB CYS A 17 8.028 6.171 2.663 1.00 0.62 C ATOM 251 SG CYS A 17 9.427 6.226 3.802 1.00 0.92 S ATOM 0 H CYS A 17 9.014 7.895 1.168 1.00 0.54 H new ATOM 0 HA CYS A 17 9.252 5.066 1.316 1.00 0.49 H new ATOM 0 HB2 CYS A 17 7.499 7.124 2.678 1.00 0.62 H new ATOM 0 HB3 CYS A 17 7.318 5.408 2.982 1.00 0.62 H new ATOM 0 HG CYS A 17 9.344 5.235 4.639 1.00 0.92 H new ATOM 257 N ALA A 18 6.547 6.338 -0.136 1.00 0.51 N ATOM 258 CA ALA A 18 5.449 6.028 -1.052 1.00 0.52 C ATOM 259 C ALA A 18 5.931 5.139 -2.197 1.00 0.46 C ATOM 260 O ALA A 18 5.320 4.119 -2.513 1.00 0.44 O ATOM 261 CB ALA A 18 4.858 7.315 -1.635 1.00 0.63 C ATOM 0 H ALA A 18 6.631 7.331 0.083 1.00 0.51 H new ATOM 0 HA ALA A 18 4.684 5.499 -0.485 1.00 0.52 H new ATOM 0 HB1 ALA A 18 4.043 7.066 -2.314 1.00 0.63 H new ATOM 0 HB2 ALA A 18 4.479 7.940 -0.827 1.00 0.63 H new ATOM 0 HB3 ALA A 18 5.631 7.856 -2.180 1.00 0.63 H new ATOM 267 N ALA A 19 7.047 5.542 -2.809 1.00 0.45 N ATOM 268 CA ALA A 19 7.641 4.823 -3.928 1.00 0.45 C ATOM 269 C ALA A 19 7.990 3.397 -3.503 1.00 0.39 C ATOM 270 O ALA A 19 7.647 2.423 -4.174 1.00 0.42 O ATOM 271 CB ALA A 19 8.883 5.571 -4.420 1.00 0.51 C ATOM 0 H ALA A 19 7.562 6.379 -2.538 1.00 0.45 H new ATOM 0 HA ALA A 19 6.926 4.767 -4.749 1.00 0.45 H new ATOM 0 HB1 ALA A 19 9.325 5.031 -5.257 1.00 0.51 H new ATOM 0 HB2 ALA A 19 8.600 6.573 -4.743 1.00 0.51 H new ATOM 0 HB3 ALA A 19 9.609 5.643 -3.610 1.00 0.51 H new ATOM 277 N LYS A 20 8.667 3.276 -2.359 1.00 0.37 N ATOM 278 CA LYS A 20 9.011 1.982 -1.797 1.00 0.38 C ATOM 279 C LYS A 20 7.747 1.153 -1.543 1.00 0.32 C ATOM 280 O LYS A 20 7.746 -0.047 -1.792 1.00 0.36 O ATOM 281 CB LYS A 20 9.853 2.191 -0.535 1.00 0.48 C ATOM 282 CG LYS A 20 10.651 0.937 -0.143 1.00 0.70 C ATOM 283 CD LYS A 20 11.868 1.341 0.700 1.00 1.06 C ATOM 284 CE LYS A 20 12.995 1.910 -0.185 1.00 2.53 C ATOM 285 NZ LYS A 20 13.789 2.947 0.508 1.00 3.34 N ATOM 0 H LYS A 20 8.987 4.070 -1.805 1.00 0.37 H new ATOM 0 HA LYS A 20 9.612 1.411 -2.505 1.00 0.38 H new ATOM 0 HB2 LYS A 20 10.542 3.020 -0.695 1.00 0.48 H new ATOM 0 HB3 LYS A 20 9.200 2.474 0.290 1.00 0.48 H new ATOM 0 HG2 LYS A 20 10.017 0.252 0.421 1.00 0.70 H new ATOM 0 HG3 LYS A 20 10.976 0.407 -1.038 1.00 0.70 H new ATOM 0 HD2 LYS A 20 11.571 2.086 1.439 1.00 1.06 H new ATOM 0 HD3 LYS A 20 12.236 0.475 1.250 1.00 1.06 H new ATOM 0 HE2 LYS A 20 13.654 1.099 -0.495 1.00 2.53 H new ATOM 0 HE3 LYS A 20 12.562 2.333 -1.091 1.00 2.53 H new ATOM 0 HZ1 LYS A 20 14.533 3.298 -0.128 1.00 3.34 H new ATOM 0 HZ2 LYS A 20 13.168 3.735 0.781 1.00 3.34 H new ATOM 0 HZ3 LYS A 20 14.225 2.539 1.359 1.00 3.34 H new ATOM 299 N PHE A 21 6.666 1.794 -1.088 1.00 0.30 N ATOM 300 CA PHE A 21 5.369 1.159 -0.921 1.00 0.32 C ATOM 301 C PHE A 21 4.899 0.585 -2.257 1.00 0.34 C ATOM 302 O PHE A 21 4.700 -0.621 -2.358 1.00 0.37 O ATOM 303 CB PHE A 21 4.337 2.144 -0.353 1.00 0.33 C ATOM 304 CG PHE A 21 3.329 1.515 0.587 1.00 0.81 C ATOM 305 CD1 PHE A 21 3.764 1.180 1.876 1.00 1.57 C ATOM 306 CD2 PHE A 21 1.951 1.520 0.305 1.00 2.38 C ATOM 307 CE1 PHE A 21 2.842 1.107 2.930 1.00 1.66 C ATOM 308 CE2 PHE A 21 1.026 1.472 1.367 1.00 2.72 C ATOM 309 CZ PHE A 21 1.482 1.328 2.685 1.00 1.64 C ATOM 0 H PHE A 21 6.674 2.779 -0.824 1.00 0.30 H new ATOM 0 HA PHE A 21 5.470 0.345 -0.203 1.00 0.32 H new ATOM 0 HB2 PHE A 21 4.863 2.939 0.176 1.00 0.33 H new ATOM 0 HB3 PHE A 21 3.803 2.611 -1.181 1.00 0.33 H new ATOM 0 HD1 PHE A 21 4.809 0.978 2.058 1.00 1.57 H new ATOM 0 HD2 PHE A 21 1.605 1.560 -0.717 1.00 2.38 H new ATOM 0 HE1 PHE A 21 3.181 0.880 3.930 1.00 1.66 H new ATOM 0 HE2 PHE A 21 -0.033 1.546 1.166 1.00 2.72 H new ATOM 0 HZ PHE A 21 0.786 1.387 3.509 1.00 1.64 H new ATOM 319 N GLU A 22 4.726 1.429 -3.286 1.00 0.33 N ATOM 320 CA GLU A 22 4.179 0.969 -4.561 1.00 0.37 C ATOM 321 C GLU A 22 5.018 -0.185 -5.104 1.00 0.33 C ATOM 322 O GLU A 22 4.483 -1.195 -5.560 1.00 0.35 O ATOM 323 CB GLU A 22 4.001 2.110 -5.585 1.00 0.44 C ATOM 324 CG GLU A 22 5.155 2.362 -6.562 1.00 0.61 C ATOM 325 CD GLU A 22 4.732 3.279 -7.697 1.00 1.16 C ATOM 326 OE1 GLU A 22 4.480 4.466 -7.415 1.00 2.47 O ATOM 327 OE2 GLU A 22 4.632 2.745 -8.826 1.00 1.78 O ATOM 0 H GLU A 22 4.956 2.422 -3.256 1.00 0.33 H new ATOM 0 HA GLU A 22 3.171 0.597 -4.378 1.00 0.37 H new ATOM 0 HB2 GLU A 22 3.104 1.903 -6.168 1.00 0.44 H new ATOM 0 HB3 GLU A 22 3.817 3.032 -5.034 1.00 0.44 H new ATOM 0 HG2 GLU A 22 5.995 2.806 -6.028 1.00 0.61 H new ATOM 0 HG3 GLU A 22 5.502 1.413 -6.970 1.00 0.61 H new ATOM 334 N ARG A 23 6.342 -0.024 -5.047 1.00 0.31 N ATOM 335 CA ARG A 23 7.270 -1.014 -5.552 1.00 0.33 C ATOM 336 C ARG A 23 7.139 -2.305 -4.746 1.00 0.31 C ATOM 337 O ARG A 23 7.003 -3.375 -5.329 1.00 0.33 O ATOM 338 CB ARG A 23 8.686 -0.430 -5.530 1.00 0.41 C ATOM 339 CG ARG A 23 9.634 -1.250 -6.410 1.00 0.64 C ATOM 340 CD ARG A 23 10.948 -0.488 -6.610 1.00 1.06 C ATOM 341 NE ARG A 23 11.778 -1.144 -7.632 1.00 1.47 N ATOM 342 CZ ARG A 23 12.754 -0.543 -8.332 1.00 2.05 C ATOM 343 NH1 ARG A 23 13.129 0.703 -8.019 1.00 2.56 N ATOM 344 NH2 ARG A 23 13.346 -1.185 -9.344 1.00 2.76 N ATOM 0 H ARG A 23 6.792 0.800 -4.648 1.00 0.31 H new ATOM 0 HA ARG A 23 7.040 -1.269 -6.587 1.00 0.33 H new ATOM 0 HB2 ARG A 23 8.662 0.602 -5.879 1.00 0.41 H new ATOM 0 HB3 ARG A 23 9.059 -0.412 -4.506 1.00 0.41 H new ATOM 0 HG2 ARG A 23 9.831 -2.216 -5.946 1.00 0.64 H new ATOM 0 HG3 ARG A 23 9.168 -1.449 -7.375 1.00 0.64 H new ATOM 0 HD2 ARG A 23 10.737 0.539 -6.909 1.00 1.06 H new ATOM 0 HD3 ARG A 23 11.493 -0.439 -5.667 1.00 1.06 H new ATOM 0 HE ARG A 23 11.599 -2.130 -7.824 1.00 1.47 H new ATOM 0 HH11 ARG A 23 12.674 1.195 -7.250 1.00 2.56 H new ATOM 0 HH12 ARG A 23 13.870 1.161 -8.550 1.00 2.56 H new ATOM 0 HH21 ARG A 23 13.057 -2.133 -9.586 1.00 2.76 H new ATOM 0 HH22 ARG A 23 14.087 -0.727 -9.875 1.00 2.76 H new ATOM 358 N ASN A 24 7.119 -2.211 -3.414 1.00 0.30 N ATOM 359 CA ASN A 24 6.861 -3.359 -2.553 1.00 0.33 C ATOM 360 C ASN A 24 5.571 -4.053 -2.984 1.00 0.36 C ATOM 361 O ASN A 24 5.546 -5.274 -3.096 1.00 0.40 O ATOM 362 CB ASN A 24 6.737 -2.954 -1.078 1.00 0.36 C ATOM 363 CG ASN A 24 8.051 -2.743 -0.330 1.00 0.65 C ATOM 364 OD1 ASN A 24 9.113 -3.193 -0.746 1.00 1.29 O ATOM 365 ND2 ASN A 24 7.974 -2.103 0.836 1.00 1.33 N ATOM 0 H ASN A 24 7.281 -1.340 -2.908 1.00 0.30 H new ATOM 0 HA ASN A 24 7.710 -4.036 -2.653 1.00 0.33 H new ATOM 0 HB2 ASN A 24 6.158 -2.032 -1.022 1.00 0.36 H new ATOM 0 HB3 ASN A 24 6.165 -3.722 -0.558 1.00 0.36 H new ATOM 0 HD21 ASN A 24 8.811 -1.978 1.405 1.00 1.33 H new ATOM 0 HD22 ASN A 24 7.078 -1.738 1.159 1.00 1.33 H new ATOM 372 N VAL A 25 4.494 -3.297 -3.226 1.00 0.36 N ATOM 373 CA VAL A 25 3.246 -3.906 -3.665 1.00 0.36 C ATOM 374 C VAL A 25 3.467 -4.639 -4.992 1.00 0.34 C ATOM 375 O VAL A 25 3.133 -5.812 -5.115 1.00 0.33 O ATOM 376 CB VAL A 25 2.077 -2.900 -3.707 1.00 0.39 C ATOM 377 CG1 VAL A 25 0.758 -3.653 -3.922 1.00 0.38 C ATOM 378 CG2 VAL A 25 1.956 -2.084 -2.412 1.00 0.49 C ATOM 0 H VAL A 25 4.466 -2.282 -3.126 1.00 0.36 H new ATOM 0 HA VAL A 25 2.942 -4.646 -2.925 1.00 0.36 H new ATOM 0 HB VAL A 25 2.280 -2.213 -4.528 1.00 0.39 H new ATOM 0 HG11 VAL A 25 -0.067 -2.941 -3.951 1.00 0.38 H new ATOM 0 HG12 VAL A 25 0.800 -4.199 -4.865 1.00 0.38 H new ATOM 0 HG13 VAL A 25 0.602 -4.355 -3.103 1.00 0.38 H new ATOM 0 HG21 VAL A 25 1.118 -1.392 -2.495 1.00 0.49 H new ATOM 0 HG22 VAL A 25 1.788 -2.758 -1.572 1.00 0.49 H new ATOM 0 HG23 VAL A 25 2.876 -1.522 -2.249 1.00 0.49 H new ATOM 388 N LYS A 26 4.075 -3.966 -5.970 1.00 0.35 N ATOM 389 CA LYS A 26 4.472 -4.560 -7.241 1.00 0.33 C ATOM 390 C LYS A 26 5.302 -5.845 -7.071 1.00 0.32 C ATOM 391 O LYS A 26 5.160 -6.762 -7.874 1.00 0.35 O ATOM 392 CB LYS A 26 5.185 -3.484 -8.074 1.00 0.36 C ATOM 393 CG LYS A 26 4.160 -2.654 -8.855 1.00 0.48 C ATOM 394 CD LYS A 26 4.639 -1.220 -9.114 1.00 0.58 C ATOM 395 CE LYS A 26 3.831 -0.580 -10.259 1.00 0.68 C ATOM 396 NZ LYS A 26 3.432 0.816 -9.979 1.00 1.42 N ATOM 0 H LYS A 26 4.308 -2.976 -5.897 1.00 0.35 H new ATOM 0 HA LYS A 26 3.582 -4.892 -7.776 1.00 0.33 H new ATOM 0 HB2 LYS A 26 5.768 -2.835 -7.421 1.00 0.36 H new ATOM 0 HB3 LYS A 26 5.886 -3.953 -8.764 1.00 0.36 H new ATOM 0 HG2 LYS A 26 3.952 -3.142 -9.807 1.00 0.48 H new ATOM 0 HG3 LYS A 26 3.222 -2.626 -8.300 1.00 0.48 H new ATOM 0 HD2 LYS A 26 4.530 -0.625 -8.207 1.00 0.58 H new ATOM 0 HD3 LYS A 26 5.699 -1.225 -9.367 1.00 0.58 H new ATOM 0 HE2 LYS A 26 4.425 -0.605 -11.173 1.00 0.68 H new ATOM 0 HE3 LYS A 26 2.938 -1.177 -10.443 1.00 0.68 H new ATOM 0 HZ1 LYS A 26 3.204 1.298 -10.872 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 2.597 0.821 -9.360 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 4.215 1.313 -9.508 1.00 1.42 H new ATOM 410 N GLU A 27 6.148 -5.936 -6.038 1.00 0.32 N ATOM 411 CA GLU A 27 6.921 -7.146 -5.760 1.00 0.33 C ATOM 412 C GLU A 27 6.033 -8.327 -5.327 1.00 0.34 C ATOM 413 O GLU A 27 6.458 -9.475 -5.439 1.00 0.46 O ATOM 414 CB GLU A 27 8.010 -6.860 -4.715 1.00 0.43 C ATOM 415 CG GLU A 27 9.010 -5.783 -5.176 1.00 0.67 C ATOM 416 CD GLU A 27 10.344 -6.354 -5.636 1.00 1.28 C ATOM 417 OE1 GLU A 27 11.051 -6.909 -4.768 1.00 2.09 O ATOM 418 OE2 GLU A 27 10.653 -6.187 -6.836 1.00 3.03 O ATOM 0 H GLU A 27 6.313 -5.177 -5.377 1.00 0.32 H new ATOM 0 HA GLU A 27 7.400 -7.444 -6.693 1.00 0.33 H new ATOM 0 HB2 GLU A 27 7.540 -6.539 -3.785 1.00 0.43 H new ATOM 0 HB3 GLU A 27 8.550 -7.782 -4.498 1.00 0.43 H new ATOM 0 HG2 GLU A 27 8.567 -5.212 -5.992 1.00 0.67 H new ATOM 0 HG3 GLU A 27 9.185 -5.086 -4.357 1.00 0.67 H new ATOM 425 N ILE A 28 4.822 -8.088 -4.805 1.00 0.32 N ATOM 426 CA ILE A 28 3.935 -9.172 -4.388 1.00 0.32 C ATOM 427 C ILE A 28 3.410 -9.901 -5.631 1.00 0.30 C ATOM 428 O ILE A 28 2.911 -9.280 -6.565 1.00 0.50 O ATOM 429 CB ILE A 28 2.750 -8.641 -3.562 1.00 0.36 C ATOM 430 CG1 ILE A 28 3.122 -7.808 -2.328 1.00 0.39 C ATOM 431 CG2 ILE A 28 1.782 -9.760 -3.147 1.00 0.47 C ATOM 432 CD1 ILE A 28 1.947 -6.882 -1.984 1.00 1.50 C ATOM 0 H ILE A 28 4.439 -7.153 -4.663 1.00 0.32 H new ATOM 0 HA ILE A 28 4.503 -9.859 -3.760 1.00 0.32 H new ATOM 0 HB ILE A 28 2.257 -7.958 -4.254 1.00 0.36 H new ATOM 0 HG12 ILE A 28 3.347 -8.462 -1.485 1.00 0.39 H new ATOM 0 HG13 ILE A 28 4.020 -7.222 -2.525 1.00 0.39 H new ATOM 0 HG21 ILE A 28 0.963 -9.336 -2.566 1.00 0.47 H new ATOM 0 HG22 ILE A 28 1.382 -10.244 -4.038 1.00 0.47 H new ATOM 0 HG23 ILE A 28 2.313 -10.495 -2.542 1.00 0.47 H new ATOM 0 HD11 ILE A 28 2.199 -6.284 -1.108 1.00 1.50 H new ATOM 0 HD12 ILE A 28 1.745 -6.222 -2.828 1.00 1.50 H new ATOM 0 HD13 ILE A 28 1.062 -7.481 -1.772 1.00 1.50 H new ATOM 444 N GLU A 29 3.452 -11.232 -5.617 1.00 0.36 N ATOM 445 CA GLU A 29 3.002 -12.083 -6.707 1.00 0.40 C ATOM 446 C GLU A 29 1.474 -12.225 -6.769 1.00 0.60 C ATOM 447 O GLU A 29 0.922 -12.648 -7.780 1.00 1.76 O ATOM 448 CB GLU A 29 3.699 -13.440 -6.550 1.00 0.55 C ATOM 449 CG GLU A 29 5.088 -13.433 -7.200 1.00 0.71 C ATOM 450 CD GLU A 29 5.768 -14.787 -7.051 1.00 1.53 C ATOM 451 OE1 GLU A 29 6.441 -14.971 -6.015 1.00 2.94 O ATOM 452 OE2 GLU A 29 5.579 -15.620 -7.964 1.00 2.34 O ATOM 0 H GLU A 29 3.811 -11.760 -4.821 1.00 0.36 H new ATOM 0 HA GLU A 29 3.273 -11.624 -7.658 1.00 0.40 H new ATOM 0 HB2 GLU A 29 3.792 -13.683 -5.491 1.00 0.55 H new ATOM 0 HB3 GLU A 29 3.087 -14.220 -7.003 1.00 0.55 H new ATOM 0 HG2 GLU A 29 4.997 -13.182 -8.257 1.00 0.71 H new ATOM 0 HG3 GLU A 29 5.704 -12.660 -6.741 1.00 0.71 H new ATOM 459 N GLY A 30 0.790 -11.887 -5.677 1.00 0.73 N ATOM 460 CA GLY A 30 -0.657 -12.019 -5.537 1.00 0.77 C ATOM 461 C GLY A 30 -1.445 -10.844 -6.129 1.00 0.69 C ATOM 462 O GLY A 30 -2.672 -10.910 -6.225 1.00 1.03 O ATOM 0 H GLY A 30 1.239 -11.504 -4.845 1.00 0.73 H new ATOM 0 HA2 GLY A 30 -0.977 -12.941 -6.023 1.00 0.77 H new ATOM 0 HA3 GLY A 30 -0.903 -12.114 -4.479 1.00 0.77 H new ATOM 466 N VAL A 31 -0.778 -9.742 -6.487 1.00 0.44 N ATOM 467 CA VAL A 31 -1.404 -8.557 -7.030 1.00 0.39 C ATOM 468 C VAL A 31 -0.927 -8.359 -8.474 1.00 0.39 C ATOM 469 O VAL A 31 0.168 -8.795 -8.817 1.00 0.66 O ATOM 470 CB VAL A 31 -1.091 -7.383 -6.098 1.00 0.45 C ATOM 471 CG1 VAL A 31 0.384 -6.991 -6.110 1.00 0.58 C ATOM 472 CG2 VAL A 31 -1.907 -6.168 -6.496 1.00 0.53 C ATOM 0 H VAL A 31 0.235 -9.659 -6.401 1.00 0.44 H new ATOM 0 HA VAL A 31 -2.489 -8.644 -7.079 1.00 0.39 H new ATOM 0 HB VAL A 31 -1.347 -7.716 -5.092 1.00 0.45 H new ATOM 0 HG11 VAL A 31 0.544 -6.154 -5.430 1.00 0.58 H new ATOM 0 HG12 VAL A 31 0.989 -7.839 -5.789 1.00 0.58 H new ATOM 0 HG13 VAL A 31 0.675 -6.700 -7.119 1.00 0.58 H new ATOM 0 HG21 VAL A 31 -1.676 -5.339 -5.826 1.00 0.53 H new ATOM 0 HG22 VAL A 31 -1.663 -5.886 -7.520 1.00 0.53 H new ATOM 0 HG23 VAL A 31 -2.969 -6.405 -6.428 1.00 0.53 H new ATOM 482 N THR A 32 -1.742 -7.705 -9.311 1.00 0.44 N ATOM 483 CA THR A 32 -1.408 -7.397 -10.692 1.00 0.48 C ATOM 484 C THR A 32 -1.027 -5.925 -10.773 1.00 0.47 C ATOM 485 O THR A 32 0.045 -5.601 -11.279 1.00 0.53 O ATOM 486 CB THR A 32 -2.579 -7.759 -11.619 1.00 0.51 C ATOM 487 OG1 THR A 32 -2.921 -9.116 -11.416 1.00 0.55 O ATOM 488 CG2 THR A 32 -2.214 -7.543 -13.091 1.00 0.60 C ATOM 0 H THR A 32 -2.666 -7.373 -9.035 1.00 0.44 H new ATOM 0 HA THR A 32 -0.559 -7.992 -11.028 1.00 0.48 H new ATOM 0 HB THR A 32 -3.422 -7.111 -11.381 1.00 0.51 H new ATOM 0 HG1 THR A 32 -3.669 -9.356 -12.002 1.00 0.55 H new ATOM 0 HG21 THR A 32 -3.064 -7.808 -13.719 1.00 0.60 H new ATOM 0 HG22 THR A 32 -1.956 -6.496 -13.252 1.00 0.60 H new ATOM 0 HG23 THR A 32 -1.361 -8.170 -13.350 1.00 0.60 H new ATOM 496 N GLU A 33 -1.883 -5.042 -10.244 1.00 0.45 N ATOM 497 CA GLU A 33 -1.569 -3.619 -10.170 1.00 0.49 C ATOM 498 C GLU A 33 -1.870 -3.085 -8.780 1.00 0.45 C ATOM 499 O GLU A 33 -2.629 -3.687 -8.025 1.00 0.67 O ATOM 500 CB GLU A 33 -2.339 -2.820 -11.229 1.00 0.56 C ATOM 501 CG GLU A 33 -1.850 -3.124 -12.646 1.00 0.68 C ATOM 502 CD GLU A 33 -2.122 -1.939 -13.563 1.00 1.07 C ATOM 503 OE1 GLU A 33 -1.387 -0.939 -13.411 1.00 2.10 O ATOM 504 OE2 GLU A 33 -3.075 -2.042 -14.363 1.00 2.07 O ATOM 0 H GLU A 33 -2.795 -5.292 -9.863 1.00 0.45 H new ATOM 0 HA GLU A 33 -0.505 -3.499 -10.372 1.00 0.49 H new ATOM 0 HB2 GLU A 33 -3.402 -3.051 -11.155 1.00 0.56 H new ATOM 0 HB3 GLU A 33 -2.230 -1.754 -11.029 1.00 0.56 H new ATOM 0 HG2 GLU A 33 -0.782 -3.343 -12.631 1.00 0.68 H new ATOM 0 HG3 GLU A 33 -2.353 -4.012 -13.029 1.00 0.68 H new ATOM 511 N ALA A 34 -1.285 -1.936 -8.449 1.00 0.31 N ATOM 512 CA ALA A 34 -1.557 -1.233 -7.213 1.00 0.32 C ATOM 513 C ALA A 34 -1.274 0.240 -7.443 1.00 0.32 C ATOM 514 O ALA A 34 -0.285 0.564 -8.104 1.00 0.35 O ATOM 515 CB ALA A 34 -0.669 -1.786 -6.105 1.00 0.42 C ATOM 0 H ALA A 34 -0.602 -1.467 -9.044 1.00 0.31 H new ATOM 0 HA ALA A 34 -2.596 -1.366 -6.911 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -0.875 -1.256 -5.175 1.00 0.42 H new ATOM 0 HB2 ALA A 34 -0.874 -2.848 -5.970 1.00 0.42 H new ATOM 0 HB3 ALA A 34 0.378 -1.650 -6.376 1.00 0.42 H new ATOM 521 N ILE A 35 -2.143 1.113 -6.926 1.00 0.35 N ATOM 522 CA ILE A 35 -2.023 2.553 -7.126 1.00 0.40 C ATOM 523 C ILE A 35 -2.047 3.195 -5.742 1.00 0.38 C ATOM 524 O ILE A 35 -3.107 3.271 -5.121 1.00 0.44 O ATOM 525 CB ILE A 35 -3.146 3.078 -8.048 1.00 0.45 C ATOM 526 CG1 ILE A 35 -3.293 2.291 -9.367 1.00 0.55 C ATOM 527 CG2 ILE A 35 -2.955 4.575 -8.334 1.00 0.53 C ATOM 528 CD1 ILE A 35 -2.121 2.444 -10.342 1.00 2.03 C ATOM 0 H ILE A 35 -2.946 0.839 -6.359 1.00 0.35 H new ATOM 0 HA ILE A 35 -1.092 2.809 -7.631 1.00 0.40 H new ATOM 0 HB ILE A 35 -4.076 2.924 -7.501 1.00 0.45 H new ATOM 0 HG12 ILE A 35 -3.415 1.234 -9.131 1.00 0.55 H new ATOM 0 HG13 ILE A 35 -4.207 2.614 -9.866 1.00 0.55 H new ATOM 0 HG21 ILE A 35 -3.756 4.926 -8.985 1.00 0.53 H new ATOM 0 HG22 ILE A 35 -2.980 5.131 -7.397 1.00 0.53 H new ATOM 0 HG23 ILE A 35 -1.994 4.732 -8.824 1.00 0.53 H new ATOM 0 HD11 ILE A 35 -2.314 1.855 -11.239 1.00 2.03 H new ATOM 0 HD12 ILE A 35 -2.009 3.493 -10.614 1.00 2.03 H new ATOM 0 HD13 ILE A 35 -1.205 2.092 -9.868 1.00 2.03 H new ATOM 540 N VAL A 36 -0.882 3.605 -5.231 1.00 0.40 N ATOM 541 CA VAL A 36 -0.782 4.250 -3.928 1.00 0.43 C ATOM 542 C VAL A 36 -0.714 5.768 -4.082 1.00 0.48 C ATOM 543 O VAL A 36 -0.103 6.269 -5.023 1.00 0.73 O ATOM 544 CB VAL A 36 0.398 3.670 -3.134 1.00 0.52 C ATOM 545 CG1 VAL A 36 1.743 3.894 -3.821 1.00 1.93 C ATOM 546 CG2 VAL A 36 0.459 4.283 -1.735 1.00 2.04 C ATOM 0 H VAL A 36 0.012 3.498 -5.710 1.00 0.40 H new ATOM 0 HA VAL A 36 -1.682 4.040 -3.350 1.00 0.43 H new ATOM 0 HB VAL A 36 0.221 2.596 -3.074 1.00 0.52 H new ATOM 0 HG11 VAL A 36 2.538 3.463 -3.213 1.00 1.93 H new ATOM 0 HG12 VAL A 36 1.735 3.416 -4.801 1.00 1.93 H new ATOM 0 HG13 VAL A 36 1.917 4.963 -3.940 1.00 1.93 H new ATOM 0 HG21 VAL A 36 1.302 3.859 -1.188 1.00 2.04 H new ATOM 0 HG22 VAL A 36 0.585 5.363 -1.816 1.00 2.04 H new ATOM 0 HG23 VAL A 36 -0.466 4.065 -1.202 1.00 2.04 H new ATOM 556 N ASN A 37 -1.323 6.506 -3.147 1.00 0.45 N ATOM 557 CA ASN A 37 -1.226 7.956 -3.085 1.00 0.52 C ATOM 558 C ASN A 37 -1.025 8.375 -1.627 1.00 0.79 C ATOM 559 O ASN A 37 -1.904 8.982 -1.008 1.00 1.88 O ATOM 560 CB ASN A 37 -2.455 8.613 -3.727 1.00 0.84 C ATOM 561 CG ASN A 37 -2.568 8.348 -5.225 1.00 1.19 C ATOM 562 OD1 ASN A 37 -3.346 7.498 -5.647 1.00 1.83 O ATOM 563 ND2 ASN A 37 -1.843 9.101 -6.048 1.00 2.87 N ATOM 0 H ASN A 37 -1.900 6.103 -2.409 1.00 0.45 H new ATOM 0 HA ASN A 37 -0.366 8.300 -3.659 1.00 0.52 H new ATOM 0 HB2 ASN A 37 -3.354 8.247 -3.232 1.00 0.84 H new ATOM 0 HB3 ASN A 37 -2.413 9.689 -3.558 1.00 0.84 H new ATOM 0 HD21 ASN A 37 -1.926 8.979 -7.057 1.00 2.87 H new ATOM 0 HD22 ASN A 37 -1.204 9.800 -5.670 1.00 2.87 H new ATOM 570 N PHE A 38 0.182 8.100 -1.114 1.00 0.93 N ATOM 571 CA PHE A 38 0.707 8.617 0.154 1.00 1.09 C ATOM 572 C PHE A 38 0.436 10.108 0.315 1.00 1.17 C ATOM 573 O PHE A 38 0.329 10.594 1.434 1.00 2.13 O ATOM 574 CB PHE A 38 2.233 8.467 0.199 1.00 1.56 C ATOM 575 CG PHE A 38 2.794 7.187 0.782 1.00 1.79 C ATOM 576 CD1 PHE A 38 2.117 5.961 0.649 1.00 1.69 C ATOM 577 CD2 PHE A 38 3.929 7.265 1.613 1.00 2.91 C ATOM 578 CE1 PHE A 38 2.587 4.825 1.327 1.00 2.02 C ATOM 579 CE2 PHE A 38 4.375 6.134 2.315 1.00 3.35 C ATOM 580 CZ PHE A 38 3.718 4.904 2.156 1.00 2.69 C ATOM 0 H PHE A 38 0.844 7.487 -1.591 1.00 0.93 H new ATOM 0 HA PHE A 38 0.212 8.048 0.941 1.00 1.09 H new ATOM 0 HB2 PHE A 38 2.611 8.567 -0.819 1.00 1.56 H new ATOM 0 HB3 PHE A 38 2.636 9.302 0.772 1.00 1.56 H new ATOM 0 HD1 PHE A 38 1.237 5.894 0.026 1.00 1.69 H new ATOM 0 HD2 PHE A 38 4.459 8.201 1.711 1.00 2.91 H new ATOM 0 HE1 PHE A 38 2.074 3.882 1.210 1.00 2.02 H new ATOM 0 HE2 PHE A 38 5.224 6.210 2.978 1.00 3.35 H new ATOM 0 HZ PHE A 38 4.080 4.024 2.668 1.00 2.69 H new ATOM 590 N GLY A 39 0.398 10.843 -0.797 1.00 2.42 N ATOM 591 CA GLY A 39 0.175 12.273 -0.772 1.00 2.73 C ATOM 592 C GLY A 39 -1.103 12.661 -0.020 1.00 2.71 C ATOM 593 O GLY A 39 -1.204 13.797 0.438 1.00 3.31 O ATOM 0 H GLY A 39 0.521 10.457 -1.733 1.00 2.42 H new ATOM 0 HA2 GLY A 39 1.029 12.761 -0.303 1.00 2.73 H new ATOM 0 HA3 GLY A 39 0.117 12.645 -1.795 1.00 2.73 H new ATOM 597 N ALA A 40 -2.068 11.738 0.118 1.00 2.33 N ATOM 598 CA ALA A 40 -3.114 11.863 1.119 1.00 1.99 C ATOM 599 C ALA A 40 -3.004 10.689 2.091 1.00 1.26 C ATOM 600 O ALA A 40 -2.163 10.707 2.987 1.00 3.05 O ATOM 601 CB ALA A 40 -4.483 11.985 0.443 1.00 3.48 C ATOM 0 H ALA A 40 -2.137 10.899 -0.457 1.00 2.33 H new ATOM 0 HA ALA A 40 -2.994 12.776 1.702 1.00 1.99 H new ATOM 0 HB1 ALA A 40 -5.258 12.078 1.204 1.00 3.48 H new ATOM 0 HB2 ALA A 40 -4.495 12.867 -0.197 1.00 3.48 H new ATOM 0 HB3 ALA A 40 -4.672 11.097 -0.160 1.00 3.48 H new ATOM 607 N SER A 41 -3.875 9.684 1.973 1.00 0.65 N ATOM 608 CA SER A 41 -3.929 8.575 2.897 1.00 2.33 C ATOM 609 C SER A 41 -4.642 7.412 2.210 1.00 1.38 C ATOM 610 O SER A 41 -5.621 6.926 2.765 1.00 1.10 O ATOM 611 CB SER A 41 -4.692 9.017 4.163 1.00 4.42 C ATOM 612 OG SER A 41 -4.175 10.220 4.696 1.00 5.22 O ATOM 0 H SER A 41 -4.564 9.627 1.223 1.00 0.65 H new ATOM 0 HA SER A 41 -2.928 8.258 3.188 1.00 2.33 H new ATOM 0 HB2 SER A 41 -5.747 9.150 3.923 1.00 4.42 H new ATOM 0 HB3 SER A 41 -4.633 8.231 4.916 1.00 4.42 H new ATOM 0 HG SER A 41 -3.246 10.334 4.405 1.00 5.22 H new ATOM 618 N LYS A 42 -4.237 6.996 1.001 1.00 1.07 N ATOM 619 CA LYS A 42 -5.006 6.024 0.217 1.00 0.42 C ATOM 620 C LYS A 42 -4.108 5.097 -0.606 1.00 0.38 C ATOM 621 O LYS A 42 -3.084 5.536 -1.135 1.00 0.67 O ATOM 622 CB LYS A 42 -6.065 6.728 -0.653 1.00 1.17 C ATOM 623 CG LYS A 42 -5.588 8.080 -1.199 1.00 2.13 C ATOM 624 CD LYS A 42 -6.466 8.558 -2.364 1.00 2.38 C ATOM 625 CE LYS A 42 -6.066 9.980 -2.791 1.00 4.48 C ATOM 626 NZ LYS A 42 -6.855 10.469 -3.941 1.00 5.24 N ATOM 0 H LYS A 42 -3.382 7.318 0.547 1.00 1.07 H new ATOM 0 HA LYS A 42 -5.534 5.384 0.924 1.00 0.42 H new ATOM 0 HB2 LYS A 42 -6.332 6.079 -1.487 1.00 1.17 H new ATOM 0 HB3 LYS A 42 -6.970 6.879 -0.064 1.00 1.17 H new ATOM 0 HG2 LYS A 42 -5.605 8.822 -0.401 1.00 2.13 H new ATOM 0 HG3 LYS A 42 -4.554 7.994 -1.533 1.00 2.13 H new ATOM 0 HD2 LYS A 42 -6.364 7.876 -3.208 1.00 2.38 H new ATOM 0 HD3 LYS A 42 -7.515 8.542 -2.067 1.00 2.38 H new ATOM 0 HE2 LYS A 42 -6.198 10.659 -1.949 1.00 4.48 H new ATOM 0 HE3 LYS A 42 -5.007 9.994 -3.049 1.00 4.48 H new ATOM 0 HZ1 LYS A 42 -6.547 11.431 -4.189 1.00 5.24 H new ATOM 0 HZ2 LYS A 42 -6.710 9.838 -4.755 1.00 5.24 H new ATOM 0 HZ3 LYS A 42 -7.864 10.483 -3.689 1.00 5.24 H new ATOM 640 N ILE A 43 -4.506 3.820 -0.707 1.00 0.20 N ATOM 641 CA ILE A 43 -3.791 2.774 -1.426 1.00 0.19 C ATOM 642 C ILE A 43 -4.786 1.820 -2.098 1.00 0.19 C ATOM 643 O ILE A 43 -5.605 1.205 -1.417 1.00 0.24 O ATOM 644 CB ILE A 43 -2.788 2.082 -0.476 1.00 0.22 C ATOM 645 CG1 ILE A 43 -1.873 1.054 -1.172 1.00 0.30 C ATOM 646 CG2 ILE A 43 -3.428 1.514 0.799 1.00 0.26 C ATOM 647 CD1 ILE A 43 -2.483 -0.306 -1.503 1.00 0.74 C ATOM 0 H ILE A 43 -5.365 3.483 -0.273 1.00 0.20 H new ATOM 0 HA ILE A 43 -3.198 3.199 -2.236 1.00 0.19 H new ATOM 0 HB ILE A 43 -2.137 2.893 -0.151 1.00 0.22 H new ATOM 0 HG12 ILE A 43 -1.510 1.497 -2.099 1.00 0.30 H new ATOM 0 HG13 ILE A 43 -1.003 0.889 -0.536 1.00 0.30 H new ATOM 0 HG21 ILE A 43 -2.660 1.045 1.414 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -3.899 2.321 1.360 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -4.180 0.773 0.529 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -1.735 -0.932 -1.989 1.00 0.74 H new ATOM 0 HD12 ILE A 43 -2.818 -0.788 -0.584 1.00 0.74 H new ATOM 0 HD13 ILE A 43 -3.333 -0.171 -2.172 1.00 0.74 H new ATOM 659 N THR A 44 -4.733 1.716 -3.435 1.00 0.21 N ATOM 660 CA THR A 44 -5.494 0.754 -4.231 1.00 0.24 C ATOM 661 C THR A 44 -4.623 -0.446 -4.581 1.00 0.24 C ATOM 662 O THR A 44 -3.450 -0.286 -4.908 1.00 0.26 O ATOM 663 CB THR A 44 -6.046 1.415 -5.502 1.00 0.33 C ATOM 664 OG1 THR A 44 -6.759 2.565 -5.134 1.00 0.40 O ATOM 665 CG2 THR A 44 -6.967 0.497 -6.312 1.00 0.42 C ATOM 0 H THR A 44 -4.140 2.320 -4.005 1.00 0.21 H new ATOM 0 HA THR A 44 -6.340 0.407 -3.638 1.00 0.24 H new ATOM 0 HB THR A 44 -5.195 1.653 -6.140 1.00 0.33 H new ATOM 0 HG1 THR A 44 -7.116 2.999 -5.937 1.00 0.40 H new ATOM 0 HG21 THR A 44 -7.322 1.026 -7.196 1.00 0.42 H new ATOM 0 HG22 THR A 44 -6.416 -0.393 -6.618 1.00 0.42 H new ATOM 0 HG23 THR A 44 -7.819 0.203 -5.699 1.00 0.42 H new ATOM 673 N VAL A 45 -5.221 -1.631 -4.523 1.00 0.27 N ATOM 674 CA VAL A 45 -4.671 -2.925 -4.889 1.00 0.29 C ATOM 675 C VAL A 45 -5.611 -3.483 -5.960 1.00 0.31 C ATOM 676 O VAL A 45 -6.826 -3.265 -5.897 1.00 0.33 O ATOM 677 CB VAL A 45 -4.684 -3.802 -3.630 1.00 0.34 C ATOM 678 CG1 VAL A 45 -4.307 -5.267 -3.881 1.00 0.50 C ATOM 679 CG2 VAL A 45 -3.776 -3.240 -2.533 1.00 0.74 C ATOM 0 H VAL A 45 -6.182 -1.714 -4.191 1.00 0.27 H new ATOM 0 HA VAL A 45 -3.650 -2.879 -5.269 1.00 0.29 H new ATOM 0 HB VAL A 45 -5.723 -3.781 -3.302 1.00 0.34 H new ATOM 0 HG11 VAL A 45 -4.341 -5.818 -2.941 1.00 0.50 H new ATOM 0 HG12 VAL A 45 -5.012 -5.709 -4.585 1.00 0.50 H new ATOM 0 HG13 VAL A 45 -3.300 -5.318 -4.295 1.00 0.50 H new ATOM 0 HG21 VAL A 45 -3.815 -3.891 -1.660 1.00 0.74 H new ATOM 0 HG22 VAL A 45 -2.751 -3.187 -2.901 1.00 0.74 H new ATOM 0 HG23 VAL A 45 -4.115 -2.242 -2.256 1.00 0.74 H new ATOM 689 N THR A 46 -5.080 -4.138 -6.995 1.00 0.34 N ATOM 690 CA THR A 46 -5.844 -4.603 -8.145 1.00 0.43 C ATOM 691 C THR A 46 -5.223 -5.877 -8.644 1.00 0.45 C ATOM 692 O THR A 46 -4.383 -5.880 -9.532 1.00 1.03 O ATOM 693 CB THR A 46 -5.868 -3.517 -9.227 1.00 0.59 C ATOM 694 OG1 THR A 46 -6.532 -2.459 -8.606 1.00 0.69 O ATOM 695 CG2 THR A 46 -6.643 -3.915 -10.487 1.00 0.78 C ATOM 0 H THR A 46 -4.087 -4.362 -7.054 1.00 0.34 H new ATOM 0 HA THR A 46 -6.878 -4.804 -7.866 1.00 0.43 H new ATOM 0 HB THR A 46 -4.857 -3.298 -9.571 1.00 0.59 H new ATOM 0 HG1 THR A 46 -6.597 -1.704 -9.227 1.00 0.69 H new ATOM 0 HG21 THR A 46 -6.615 -3.096 -11.205 1.00 0.78 H new ATOM 0 HG22 THR A 46 -6.188 -4.801 -10.929 1.00 0.78 H new ATOM 0 HG23 THR A 46 -7.678 -4.132 -10.224 1.00 0.78 H new ATOM 703 N GLY A 47 -5.626 -6.983 -8.053 1.00 0.51 N ATOM 704 CA GLY A 47 -5.139 -8.261 -8.517 1.00 0.48 C ATOM 705 C GLY A 47 -5.966 -9.378 -7.888 1.00 0.47 C ATOM 706 O GLY A 47 -7.134 -9.532 -8.229 1.00 0.67 O ATOM 0 H GLY A 47 -6.275 -7.022 -7.267 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -5.203 -8.314 -9.604 1.00 0.48 H new ATOM 0 HA3 GLY A 47 -4.088 -8.379 -8.254 1.00 0.48 H new ATOM 710 N GLU A 48 -5.383 -10.102 -6.927 1.00 0.39 N ATOM 711 CA GLU A 48 -6.093 -11.073 -6.100 1.00 0.41 C ATOM 712 C GLU A 48 -5.384 -11.185 -4.742 1.00 0.48 C ATOM 713 O GLU A 48 -4.993 -12.266 -4.309 1.00 0.64 O ATOM 714 CB GLU A 48 -6.202 -12.424 -6.832 1.00 0.51 C ATOM 715 CG GLU A 48 -7.352 -13.271 -6.264 1.00 0.67 C ATOM 716 CD GLU A 48 -7.352 -14.682 -6.836 1.00 1.28 C ATOM 717 OE1 GLU A 48 -6.424 -15.439 -6.480 1.00 2.05 O ATOM 718 OE2 GLU A 48 -8.286 -14.981 -7.612 1.00 2.14 O ATOM 0 H GLU A 48 -4.391 -10.026 -6.702 1.00 0.39 H new ATOM 0 HA GLU A 48 -7.115 -10.741 -5.916 1.00 0.41 H new ATOM 0 HB2 GLU A 48 -6.364 -12.252 -7.896 1.00 0.51 H new ATOM 0 HB3 GLU A 48 -5.263 -12.969 -6.737 1.00 0.51 H new ATOM 0 HG2 GLU A 48 -7.266 -13.319 -5.178 1.00 0.67 H new ATOM 0 HG3 GLU A 48 -8.303 -12.788 -6.487 1.00 0.67 H new ATOM 725 N ALA A 49 -5.205 -10.051 -4.053 1.00 0.44 N ATOM 726 CA ALA A 49 -4.589 -10.021 -2.735 1.00 0.50 C ATOM 727 C ALA A 49 -5.236 -8.945 -1.867 1.00 0.45 C ATOM 728 O ALA A 49 -5.925 -8.065 -2.378 1.00 0.40 O ATOM 729 CB ALA A 49 -3.084 -9.791 -2.878 1.00 0.60 C ATOM 0 H ALA A 49 -5.485 -9.133 -4.399 1.00 0.44 H new ATOM 0 HA ALA A 49 -4.746 -10.980 -2.241 1.00 0.50 H new ATOM 0 HB1 ALA A 49 -2.624 -9.769 -1.890 1.00 0.60 H new ATOM 0 HB2 ALA A 49 -2.646 -10.599 -3.464 1.00 0.60 H new ATOM 0 HB3 ALA A 49 -2.907 -8.841 -3.382 1.00 0.60 H new ATOM 735 N SER A 50 -5.007 -9.038 -0.554 1.00 0.58 N ATOM 736 CA SER A 50 -5.525 -8.129 0.457 1.00 0.57 C ATOM 737 C SER A 50 -4.395 -7.279 1.027 1.00 0.45 C ATOM 738 O SER A 50 -3.224 -7.660 0.943 1.00 0.45 O ATOM 739 CB SER A 50 -6.150 -8.951 1.586 1.00 0.64 C ATOM 740 OG SER A 50 -7.318 -9.593 1.121 1.00 0.85 O ATOM 0 H SER A 50 -4.432 -9.781 -0.157 1.00 0.58 H new ATOM 0 HA SER A 50 -6.271 -7.475 0.006 1.00 0.57 H new ATOM 0 HB2 SER A 50 -5.436 -9.692 1.947 1.00 0.64 H new ATOM 0 HB3 SER A 50 -6.391 -8.303 2.429 1.00 0.64 H new ATOM 0 HG SER A 50 -7.713 -10.119 1.847 1.00 0.85 H new ATOM 746 N ILE A 51 -4.757 -6.159 1.666 1.00 0.38 N ATOM 747 CA ILE A 51 -3.802 -5.231 2.235 1.00 0.34 C ATOM 748 C ILE A 51 -2.774 -5.899 3.126 1.00 0.26 C ATOM 749 O ILE A 51 -1.661 -5.418 3.149 1.00 0.28 O ATOM 750 CB ILE A 51 -4.497 -4.070 2.966 1.00 0.36 C ATOM 751 CG1 ILE A 51 -3.558 -2.879 3.034 1.00 0.46 C ATOM 752 CG2 ILE A 51 -4.966 -4.448 4.378 1.00 0.36 C ATOM 753 CD1 ILE A 51 -3.426 -2.134 1.699 1.00 1.74 C ATOM 0 H ILE A 51 -5.729 -5.880 1.797 1.00 0.38 H new ATOM 0 HA ILE A 51 -3.255 -4.818 1.388 1.00 0.34 H new ATOM 0 HB ILE A 51 -5.390 -3.817 2.395 1.00 0.36 H new ATOM 0 HG12 ILE A 51 -3.916 -2.186 3.795 1.00 0.46 H new ATOM 0 HG13 ILE A 51 -2.572 -3.220 3.351 1.00 0.46 H new ATOM 0 HG21 ILE A 51 -5.449 -3.589 4.843 1.00 0.36 H new ATOM 0 HG22 ILE A 51 -5.675 -5.273 4.317 1.00 0.36 H new ATOM 0 HG23 ILE A 51 -4.108 -4.751 4.978 1.00 0.36 H new ATOM 0 HD11 ILE A 51 -2.741 -1.294 1.817 1.00 1.74 H new ATOM 0 HD12 ILE A 51 -3.039 -2.814 0.940 1.00 1.74 H new ATOM 0 HD13 ILE A 51 -4.404 -1.764 1.391 1.00 1.74 H new ATOM 765 N GLN A 52 -3.108 -6.986 3.823 1.00 0.29 N ATOM 766 CA GLN A 52 -2.177 -7.801 4.611 1.00 0.34 C ATOM 767 C GLN A 52 -0.747 -7.784 4.036 1.00 0.31 C ATOM 768 O GLN A 52 0.225 -7.510 4.738 1.00 0.36 O ATOM 769 CB GLN A 52 -2.714 -9.237 4.633 1.00 0.44 C ATOM 770 CG GLN A 52 -4.029 -9.364 5.422 1.00 0.56 C ATOM 771 CD GLN A 52 -4.864 -10.534 4.909 1.00 2.44 C ATOM 772 OE1 GLN A 52 -4.340 -11.603 4.619 1.00 3.21 O ATOM 773 NE2 GLN A 52 -6.169 -10.333 4.746 1.00 3.69 N ATOM 0 H GLN A 52 -4.065 -7.336 3.857 1.00 0.29 H new ATOM 0 HA GLN A 52 -2.113 -7.386 5.617 1.00 0.34 H new ATOM 0 HB2 GLN A 52 -2.874 -9.577 3.610 1.00 0.44 H new ATOM 0 HB3 GLN A 52 -1.965 -9.895 5.074 1.00 0.44 H new ATOM 0 HG2 GLN A 52 -3.810 -9.505 6.480 1.00 0.56 H new ATOM 0 HG3 GLN A 52 -4.600 -8.440 5.335 1.00 0.56 H new ATOM 0 HE21 GLN A 52 -6.582 -9.434 4.995 1.00 3.69 H new ATOM 0 HE22 GLN A 52 -6.757 -11.078 4.372 1.00 3.69 H new ATOM 782 N GLN A 53 -0.629 -8.041 2.733 1.00 0.28 N ATOM 783 CA GLN A 53 0.658 -8.060 2.045 1.00 0.37 C ATOM 784 C GLN A 53 1.331 -6.671 2.060 1.00 0.33 C ATOM 785 O GLN A 53 2.524 -6.527 2.323 1.00 0.41 O ATOM 786 CB GLN A 53 0.417 -8.520 0.607 1.00 0.49 C ATOM 787 CG GLN A 53 -0.289 -9.881 0.478 1.00 0.69 C ATOM 788 CD GLN A 53 0.666 -11.026 0.158 1.00 0.96 C ATOM 789 OE1 GLN A 53 1.804 -11.049 0.610 1.00 2.37 O ATOM 790 NE2 GLN A 53 0.208 -11.986 -0.642 1.00 0.97 N ATOM 0 H GLN A 53 -1.424 -8.242 2.127 1.00 0.28 H new ATOM 0 HA GLN A 53 1.333 -8.745 2.559 1.00 0.37 H new ATOM 0 HB2 GLN A 53 -0.180 -7.766 0.094 1.00 0.49 H new ATOM 0 HB3 GLN A 53 1.376 -8.573 0.091 1.00 0.49 H new ATOM 0 HG2 GLN A 53 -0.811 -10.102 1.409 1.00 0.69 H new ATOM 0 HG3 GLN A 53 -1.045 -9.818 -0.304 1.00 0.69 H new ATOM 0 HE21 GLN A 53 -0.745 -11.938 -1.002 1.00 0.97 H new ATOM 0 HE22 GLN A 53 0.810 -12.770 -0.895 1.00 0.97 H new ATOM 799 N VAL A 54 0.554 -5.631 1.762 1.00 0.27 N ATOM 800 CA VAL A 54 0.996 -4.244 1.764 1.00 0.27 C ATOM 801 C VAL A 54 1.269 -3.769 3.199 1.00 0.30 C ATOM 802 O VAL A 54 2.125 -2.920 3.421 1.00 0.43 O ATOM 803 CB VAL A 54 -0.052 -3.353 1.071 1.00 0.27 C ATOM 804 CG1 VAL A 54 0.459 -1.915 0.920 1.00 0.31 C ATOM 805 CG2 VAL A 54 -0.425 -3.917 -0.305 1.00 0.31 C ATOM 0 H VAL A 54 -0.428 -5.737 1.506 1.00 0.27 H new ATOM 0 HA VAL A 54 1.929 -4.169 1.205 1.00 0.27 H new ATOM 0 HB VAL A 54 -0.941 -3.343 1.701 1.00 0.27 H new ATOM 0 HG11 VAL A 54 -0.301 -1.309 0.428 1.00 0.31 H new ATOM 0 HG12 VAL A 54 0.673 -1.500 1.905 1.00 0.31 H new ATOM 0 HG13 VAL A 54 1.369 -1.913 0.320 1.00 0.31 H new ATOM 0 HG21 VAL A 54 -1.166 -3.270 -0.774 1.00 0.31 H new ATOM 0 HG22 VAL A 54 0.465 -3.964 -0.933 1.00 0.31 H new ATOM 0 HG23 VAL A 54 -0.839 -4.918 -0.188 1.00 0.31 H new ATOM 815 N GLU A 55 0.551 -4.303 4.185 1.00 0.31 N ATOM 816 CA GLU A 55 0.796 -4.068 5.592 1.00 0.37 C ATOM 817 C GLU A 55 2.200 -4.588 5.923 1.00 0.30 C ATOM 818 O GLU A 55 3.033 -3.842 6.436 1.00 0.28 O ATOM 819 CB GLU A 55 -0.325 -4.728 6.409 1.00 0.55 C ATOM 820 CG GLU A 55 -0.495 -4.080 7.785 1.00 0.67 C ATOM 821 CD GLU A 55 0.675 -4.362 8.720 1.00 2.24 C ATOM 822 OE1 GLU A 55 1.116 -5.530 8.731 1.00 3.19 O ATOM 823 OE2 GLU A 55 1.098 -3.406 9.403 1.00 3.15 O ATOM 0 H GLU A 55 -0.237 -4.927 4.014 1.00 0.31 H new ATOM 0 HA GLU A 55 0.777 -3.008 5.847 1.00 0.37 H new ATOM 0 HB2 GLU A 55 -1.263 -4.659 5.858 1.00 0.55 H new ATOM 0 HB3 GLU A 55 -0.106 -5.789 6.533 1.00 0.55 H new ATOM 0 HG2 GLU A 55 -0.605 -3.002 7.663 1.00 0.67 H new ATOM 0 HG3 GLU A 55 -1.415 -4.444 8.242 1.00 0.67 H new ATOM 830 N GLN A 56 2.501 -5.832 5.524 1.00 0.41 N ATOM 831 CA GLN A 56 3.826 -6.406 5.669 1.00 0.56 C ATOM 832 C GLN A 56 4.888 -5.472 5.072 1.00 0.54 C ATOM 833 O GLN A 56 5.853 -5.135 5.750 1.00 0.60 O ATOM 834 CB GLN A 56 3.846 -7.801 5.032 1.00 0.76 C ATOM 835 CG GLN A 56 5.073 -8.608 5.456 1.00 0.96 C ATOM 836 CD GLN A 56 5.015 -9.062 6.913 1.00 1.68 C ATOM 837 OE1 GLN A 56 3.995 -9.557 7.380 1.00 3.10 O ATOM 838 NE2 GLN A 56 6.113 -8.917 7.649 1.00 2.54 N ATOM 0 H GLN A 56 1.824 -6.461 5.092 1.00 0.41 H new ATOM 0 HA GLN A 56 4.069 -6.516 6.726 1.00 0.56 H new ATOM 0 HB2 GLN A 56 2.942 -8.341 5.314 1.00 0.76 H new ATOM 0 HB3 GLN A 56 3.834 -7.704 3.946 1.00 0.76 H new ATOM 0 HG2 GLN A 56 5.166 -9.483 4.812 1.00 0.96 H new ATOM 0 HG3 GLN A 56 5.968 -8.004 5.305 1.00 0.96 H new ATOM 0 HE21 GLN A 56 6.950 -8.503 7.240 1.00 2.54 H new ATOM 0 HE22 GLN A 56 6.118 -9.220 8.623 1.00 2.54 H new ATOM 847 N ALA A 57 4.705 -5.015 3.827 1.00 0.55 N ATOM 848 CA ALA A 57 5.534 -3.965 3.245 1.00 0.68 C ATOM 849 C ALA A 57 5.635 -2.760 4.181 1.00 0.56 C ATOM 850 O ALA A 57 6.735 -2.319 4.512 1.00 0.65 O ATOM 851 CB ALA A 57 4.968 -3.583 1.876 1.00 0.81 C ATOM 0 H ALA A 57 3.980 -5.364 3.201 1.00 0.55 H new ATOM 0 HA ALA A 57 6.550 -4.336 3.110 1.00 0.68 H new ATOM 0 HB1 ALA A 57 5.582 -2.798 1.434 1.00 0.81 H new ATOM 0 HB2 ALA A 57 4.971 -4.457 1.224 1.00 0.81 H new ATOM 0 HB3 ALA A 57 3.946 -3.221 1.993 1.00 0.81 H new ATOM 857 N GLY A 58 4.488 -2.247 4.631 1.00 0.40 N ATOM 858 CA GLY A 58 4.354 -1.107 5.504 1.00 0.41 C ATOM 859 C GLY A 58 5.126 -1.263 6.807 1.00 0.28 C ATOM 860 O GLY A 58 5.495 -0.252 7.404 1.00 0.26 O ATOM 0 H GLY A 58 3.585 -2.647 4.375 1.00 0.40 H new ATOM 0 HA2 GLY A 58 4.705 -0.215 4.985 1.00 0.41 H new ATOM 0 HA3 GLY A 58 3.299 -0.951 5.729 1.00 0.41 H new ATOM 864 N ALA A 59 5.437 -2.493 7.226 1.00 0.30 N ATOM 865 CA ALA A 59 6.318 -2.738 8.358 1.00 0.34 C ATOM 866 C ALA A 59 7.599 -1.902 8.291 1.00 0.37 C ATOM 867 O ALA A 59 8.098 -1.517 9.343 1.00 0.44 O ATOM 868 CB ALA A 59 6.661 -4.222 8.485 1.00 0.44 C ATOM 0 H ALA A 59 5.082 -3.342 6.787 1.00 0.30 H new ATOM 0 HA ALA A 59 5.769 -2.429 9.248 1.00 0.34 H new ATOM 0 HB1 ALA A 59 7.320 -4.371 9.340 1.00 0.44 H new ATOM 0 HB2 ALA A 59 5.746 -4.796 8.628 1.00 0.44 H new ATOM 0 HB3 ALA A 59 7.162 -4.559 7.577 1.00 0.44 H new ATOM 874 N PHE A 60 8.115 -1.585 7.093 1.00 0.38 N ATOM 875 CA PHE A 60 9.287 -0.714 6.975 1.00 0.44 C ATOM 876 C PHE A 60 9.129 0.616 7.730 1.00 0.43 C ATOM 877 O PHE A 60 10.108 1.099 8.292 1.00 0.48 O ATOM 878 CB PHE A 60 9.718 -0.497 5.513 1.00 0.49 C ATOM 879 CG PHE A 60 8.973 0.557 4.705 1.00 0.49 C ATOM 880 CD1 PHE A 60 7.572 0.562 4.673 1.00 1.68 C ATOM 881 CD2 PHE A 60 9.674 1.533 3.972 1.00 2.01 C ATOM 882 CE1 PHE A 60 6.875 1.465 3.866 1.00 1.69 C ATOM 883 CE2 PHE A 60 8.975 2.441 3.154 1.00 2.13 C ATOM 884 CZ PHE A 60 7.574 2.375 3.060 1.00 0.83 C ATOM 0 H PHE A 60 7.742 -1.916 6.203 1.00 0.38 H new ATOM 0 HA PHE A 60 10.098 -1.250 7.467 1.00 0.44 H new ATOM 0 HB2 PHE A 60 10.776 -0.236 5.510 1.00 0.49 H new ATOM 0 HB3 PHE A 60 9.624 -1.449 4.991 1.00 0.49 H new ATOM 0 HD1 PHE A 60 7.023 -0.142 5.281 1.00 1.68 H new ATOM 0 HD2 PHE A 60 10.751 1.585 4.037 1.00 2.01 H new ATOM 0 HE1 PHE A 60 5.795 1.462 3.863 1.00 1.69 H new ATOM 0 HE2 PHE A 60 9.517 3.191 2.597 1.00 2.13 H new ATOM 0 HZ PHE A 60 7.042 3.018 2.375 1.00 0.83 H new ATOM 894 N GLU A 61 7.915 1.188 7.747 1.00 0.38 N ATOM 895 CA GLU A 61 7.637 2.513 8.300 1.00 0.49 C ATOM 896 C GLU A 61 6.435 2.498 9.270 1.00 0.56 C ATOM 897 O GLU A 61 6.026 3.548 9.762 1.00 0.85 O ATOM 898 CB GLU A 61 7.455 3.504 7.131 1.00 0.62 C ATOM 899 CG GLU A 61 8.144 4.855 7.371 1.00 0.89 C ATOM 900 CD GLU A 61 9.667 4.779 7.271 1.00 1.98 C ATOM 901 OE1 GLU A 61 10.151 4.181 6.285 1.00 3.08 O ATOM 902 OE2 GLU A 61 10.320 5.353 8.169 1.00 3.02 O ATOM 0 H GLU A 61 7.086 0.730 7.368 1.00 0.38 H new ATOM 0 HA GLU A 61 8.481 2.840 8.907 1.00 0.49 H new ATOM 0 HB2 GLU A 61 7.852 3.058 6.219 1.00 0.62 H new ATOM 0 HB3 GLU A 61 6.390 3.670 6.967 1.00 0.62 H new ATOM 0 HG2 GLU A 61 7.774 5.579 6.645 1.00 0.89 H new ATOM 0 HG3 GLU A 61 7.869 5.226 8.358 1.00 0.89 H new ATOM 909 N HIS A 62 5.868 1.318 9.562 1.00 0.40 N ATOM 910 CA HIS A 62 4.850 1.093 10.589 1.00 0.47 C ATOM 911 C HIS A 62 3.554 1.873 10.326 1.00 0.46 C ATOM 912 O HIS A 62 3.058 2.605 11.193 1.00 0.52 O ATOM 913 CB HIS A 62 5.432 1.370 11.985 1.00 0.62 C ATOM 914 CG HIS A 62 6.650 0.545 12.327 1.00 0.48 C ATOM 915 ND1 HIS A 62 7.042 -0.632 11.731 1.00 0.51 N ATOM 916 CD2 HIS A 62 7.557 0.820 13.316 1.00 0.72 C ATOM 917 CE1 HIS A 62 8.155 -1.055 12.351 1.00 0.77 C ATOM 918 NE2 HIS A 62 8.506 -0.207 13.331 1.00 0.86 N ATOM 0 H HIS A 62 6.119 0.462 9.067 1.00 0.40 H new ATOM 0 HA HIS A 62 4.563 0.042 10.546 1.00 0.47 H new ATOM 0 HB2 HIS A 62 5.692 2.426 12.054 1.00 0.62 H new ATOM 0 HB3 HIS A 62 4.660 1.183 12.731 1.00 0.62 H new ATOM 0 HD1 HIS A 62 6.571 -1.099 10.956 1.00 0.51 H new ATOM 0 HD2 HIS A 62 7.542 1.680 13.970 1.00 0.72 H new ATOM 0 HE1 HIS A 62 8.695 -1.955 12.096 1.00 0.77 H new ATOM 926 N LEU A 63 2.968 1.690 9.135 1.00 0.39 N ATOM 927 CA LEU A 63 1.733 2.390 8.807 1.00 0.38 C ATOM 928 C LEU A 63 0.526 1.688 9.437 1.00 0.35 C ATOM 929 O LEU A 63 0.670 0.750 10.214 1.00 0.67 O ATOM 930 CB LEU A 63 1.581 2.593 7.295 1.00 0.48 C ATOM 931 CG LEU A 63 2.745 3.334 6.617 1.00 0.37 C ATOM 932 CD1 LEU A 63 3.248 4.536 7.427 1.00 1.11 C ATOM 933 CD2 LEU A 63 3.924 2.408 6.318 1.00 0.97 C ATOM 0 H LEU A 63 3.324 1.076 8.402 1.00 0.39 H new ATOM 0 HA LEU A 63 1.782 3.389 9.240 1.00 0.38 H new ATOM 0 HB2 LEU A 63 1.467 1.617 6.823 1.00 0.48 H new ATOM 0 HB3 LEU A 63 0.661 3.146 7.109 1.00 0.48 H new ATOM 0 HG LEU A 63 2.330 3.703 5.679 1.00 0.37 H new ATOM 0 HD11 LEU A 63 4.069 5.016 6.895 1.00 1.11 H new ATOM 0 HD12 LEU A 63 2.436 5.250 7.560 1.00 1.11 H new ATOM 0 HD13 LEU A 63 3.597 4.197 8.402 1.00 1.11 H new ATOM 0 HD21 LEU A 63 4.721 2.977 5.839 1.00 0.97 H new ATOM 0 HD22 LEU A 63 4.294 1.978 7.249 1.00 0.97 H new ATOM 0 HD23 LEU A 63 3.599 1.608 5.652 1.00 0.97 H new ATOM 945 N LYS A 64 -0.673 2.203 9.154 1.00 0.30 N ATOM 946 CA LYS A 64 -1.924 1.730 9.713 1.00 0.30 C ATOM 947 C LYS A 64 -2.971 1.879 8.610 1.00 0.38 C ATOM 948 O LYS A 64 -3.594 2.925 8.443 1.00 0.78 O ATOM 949 CB LYS A 64 -2.265 2.438 11.039 1.00 0.35 C ATOM 950 CG LYS A 64 -2.228 3.974 11.020 1.00 0.46 C ATOM 951 CD LYS A 64 -0.831 4.610 11.060 1.00 1.82 C ATOM 952 CE LYS A 64 -0.295 4.927 12.465 1.00 2.75 C ATOM 953 NZ LYS A 64 0.473 3.795 13.033 1.00 4.30 N ATOM 0 H LYS A 64 -0.794 2.984 8.509 1.00 0.30 H new ATOM 0 HA LYS A 64 -1.872 0.682 10.006 1.00 0.30 H new ATOM 0 HB2 LYS A 64 -3.262 2.124 11.348 1.00 0.35 H new ATOM 0 HB3 LYS A 64 -1.570 2.088 11.802 1.00 0.35 H new ATOM 0 HG2 LYS A 64 -2.738 4.320 10.121 1.00 0.46 H new ATOM 0 HG3 LYS A 64 -2.799 4.343 11.872 1.00 0.46 H new ATOM 0 HD2 LYS A 64 -0.130 3.939 10.564 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -0.853 5.533 10.480 1.00 1.82 H new ATOM 0 HE2 LYS A 64 0.341 5.811 12.420 1.00 2.75 H new ATOM 0 HE3 LYS A 64 -1.128 5.168 13.125 1.00 2.75 H new ATOM 0 HZ1 LYS A 64 0.163 3.621 14.011 1.00 4.30 H new ATOM 0 HZ2 LYS A 64 0.309 2.942 12.461 1.00 4.30 H new ATOM 0 HZ3 LYS A 64 1.487 4.026 13.027 1.00 4.30 H new ATOM 967 N ILE A 65 -3.065 0.833 7.796 1.00 0.33 N ATOM 968 CA ILE A 65 -3.981 0.736 6.667 1.00 0.41 C ATOM 969 C ILE A 65 -5.318 0.144 7.129 1.00 0.40 C ATOM 970 O ILE A 65 -5.317 -0.872 7.822 1.00 0.53 O ATOM 971 CB ILE A 65 -3.382 -0.079 5.499 1.00 0.52 C ATOM 972 CG1 ILE A 65 -1.863 0.119 5.353 1.00 0.52 C ATOM 973 CG2 ILE A 65 -4.157 0.302 4.230 1.00 0.61 C ATOM 974 CD1 ILE A 65 -1.187 -0.543 4.154 1.00 0.90 C ATOM 0 H ILE A 65 -2.485 0.001 7.909 1.00 0.33 H new ATOM 0 HA ILE A 65 -4.153 1.743 6.286 1.00 0.41 H new ATOM 0 HB ILE A 65 -3.494 -1.146 5.694 1.00 0.52 H new ATOM 0 HG12 ILE A 65 -1.665 1.190 5.305 1.00 0.52 H new ATOM 0 HG13 ILE A 65 -1.385 -0.253 6.259 1.00 0.52 H new ATOM 0 HG21 ILE A 65 -3.761 -0.255 3.381 1.00 0.61 H new ATOM 0 HG22 ILE A 65 -5.212 0.061 4.362 1.00 0.61 H new ATOM 0 HG23 ILE A 65 -4.049 1.371 4.045 1.00 0.61 H new ATOM 0 HD11 ILE A 65 -0.119 -0.324 4.172 1.00 0.90 H new ATOM 0 HD12 ILE A 65 -1.337 -1.622 4.201 1.00 0.90 H new ATOM 0 HD13 ILE A 65 -1.621 -0.156 3.232 1.00 0.90 H new ATOM 986 N ILE A 66 -6.447 0.757 6.750 1.00 0.41 N ATOM 987 CA ILE A 66 -7.792 0.319 7.119 1.00 0.44 C ATOM 988 C ILE A 66 -8.654 0.221 5.848 1.00 0.30 C ATOM 989 O ILE A 66 -8.594 1.128 5.011 1.00 0.27 O ATOM 990 CB ILE A 66 -8.410 1.306 8.136 1.00 0.56 C ATOM 991 CG1 ILE A 66 -7.537 1.447 9.398 1.00 0.75 C ATOM 992 CG2 ILE A 66 -9.819 0.877 8.572 1.00 0.64 C ATOM 993 CD1 ILE A 66 -6.735 2.749 9.382 1.00 1.44 C ATOM 0 H ILE A 66 -6.446 1.592 6.164 1.00 0.41 H new ATOM 0 HA ILE A 66 -7.747 -0.662 7.591 1.00 0.44 H new ATOM 0 HB ILE A 66 -8.467 2.264 7.620 1.00 0.56 H new ATOM 0 HG12 ILE A 66 -8.170 1.419 10.285 1.00 0.75 H new ATOM 0 HG13 ILE A 66 -6.855 0.599 9.467 1.00 0.75 H new ATOM 0 HG21 ILE A 66 -10.214 1.599 9.286 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -10.472 0.834 7.700 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -9.772 -0.107 9.039 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -6.131 2.815 10.287 1.00 1.44 H new ATOM 0 HD12 ILE A 66 -6.083 2.764 8.508 1.00 1.44 H new ATOM 0 HD13 ILE A 66 -7.419 3.597 9.339 1.00 1.44 H new ATOM 1005 N PRO A 67 -9.465 -0.846 5.681 1.00 0.37 N ATOM 1006 CA PRO A 67 -10.406 -0.986 4.573 1.00 0.44 C ATOM 1007 C PRO A 67 -11.599 -0.038 4.747 1.00 0.49 C ATOM 1008 O PRO A 67 -12.738 -0.473 4.903 1.00 1.03 O ATOM 1009 CB PRO A 67 -10.825 -2.464 4.582 1.00 0.62 C ATOM 1010 CG PRO A 67 -10.736 -2.832 6.061 1.00 0.65 C ATOM 1011 CD PRO A 67 -9.527 -2.025 6.537 1.00 0.52 C ATOM 0 HA PRO A 67 -9.963 -0.715 3.615 1.00 0.44 H new ATOM 0 HB2 PRO A 67 -11.833 -2.601 4.191 1.00 0.62 H new ATOM 0 HB3 PRO A 67 -10.161 -3.076 3.972 1.00 0.62 H new ATOM 0 HG2 PRO A 67 -11.643 -2.559 6.601 1.00 0.65 H new ATOM 0 HG3 PRO A 67 -10.590 -3.903 6.204 1.00 0.65 H new ATOM 0 HD2 PRO A 67 -9.636 -1.741 7.584 1.00 0.52 H new ATOM 0 HD3 PRO A 67 -8.612 -2.612 6.459 1.00 0.52 H new ATOM 1019 N GLU A 68 -11.333 1.268 4.700 1.00 0.75 N ATOM 1020 CA GLU A 68 -12.365 2.290 4.657 1.00 0.95 C ATOM 1021 C GLU A 68 -13.229 2.107 3.406 1.00 1.60 C ATOM 1022 O GLU A 68 -12.726 1.720 2.352 1.00 2.83 O ATOM 1023 CB GLU A 68 -11.695 3.668 4.665 1.00 2.03 C ATOM 1024 CG GLU A 68 -11.211 4.035 6.076 1.00 3.72 C ATOM 1025 CD GLU A 68 -12.153 5.029 6.742 1.00 4.96 C ATOM 1026 OE1 GLU A 68 -12.048 6.225 6.380 1.00 4.96 O ATOM 1027 OE2 GLU A 68 -12.956 4.570 7.579 1.00 6.40 O ATOM 0 H GLU A 68 -10.385 1.644 4.691 1.00 0.75 H new ATOM 0 HA GLU A 68 -13.015 2.205 5.528 1.00 0.95 H new ATOM 0 HB2 GLU A 68 -10.851 3.670 3.975 1.00 2.03 H new ATOM 0 HB3 GLU A 68 -12.399 4.421 4.311 1.00 2.03 H new ATOM 0 HG2 GLU A 68 -11.140 3.134 6.685 1.00 3.72 H new ATOM 0 HG3 GLU A 68 -10.209 4.461 6.020 1.00 3.72 H new ATOM 1034 N LYS A 69 -14.525 2.407 3.516 1.00 2.04 N ATOM 1035 CA LYS A 69 -15.464 2.362 2.410 1.00 3.02 C ATOM 1036 C LYS A 69 -16.584 3.361 2.703 1.00 3.69 C ATOM 1037 O LYS A 69 -16.755 3.732 3.862 1.00 4.18 O ATOM 1038 CB LYS A 69 -16.007 0.930 2.237 1.00 3.20 C ATOM 1039 CG LYS A 69 -15.777 0.431 0.805 1.00 4.62 C ATOM 1040 CD LYS A 69 -16.886 -0.541 0.381 1.00 4.97 C ATOM 1041 CE LYS A 69 -16.871 -0.738 -1.142 1.00 6.67 C ATOM 1042 NZ LYS A 69 -18.206 -1.094 -1.657 1.00 7.04 N ATOM 0 H LYS A 69 -14.952 2.693 4.397 1.00 2.04 H new ATOM 0 HA LYS A 69 -14.977 2.634 1.474 1.00 3.02 H new ATOM 0 HB2 LYS A 69 -15.515 0.262 2.944 1.00 3.20 H new ATOM 0 HB3 LYS A 69 -17.072 0.910 2.468 1.00 3.20 H new ATOM 0 HG2 LYS A 69 -15.749 1.278 0.120 1.00 4.62 H new ATOM 0 HG3 LYS A 69 -14.808 -0.064 0.739 1.00 4.62 H new ATOM 0 HD2 LYS A 69 -16.748 -1.500 0.880 1.00 4.97 H new ATOM 0 HD3 LYS A 69 -17.856 -0.155 0.695 1.00 4.97 H new ATOM 0 HE2 LYS A 69 -16.527 0.177 -1.624 1.00 6.67 H new ATOM 0 HE3 LYS A 69 -16.160 -1.522 -1.401 1.00 6.67 H new ATOM 0 HZ1 LYS A 69 -18.111 -1.821 -2.395 1.00 7.04 H new ATOM 0 HZ2 LYS A 69 -18.790 -1.464 -0.880 1.00 7.04 H new ATOM 0 HZ3 LYS A 69 -18.660 -0.249 -2.059 1.00 7.04 H new ATOM 1056 N GLU A 70 -17.316 3.787 1.667 1.00 4.50 N ATOM 1057 CA GLU A 70 -18.356 4.812 1.747 1.00 5.54 C ATOM 1058 C GLU A 70 -19.388 4.448 0.681 1.00 6.26 C ATOM 1059 O GLU A 70 -20.490 3.993 0.981 1.00 6.53 O ATOM 1060 CB GLU A 70 -17.744 6.206 1.489 1.00 6.82 C ATOM 1061 CG GLU A 70 -17.206 6.888 2.756 1.00 7.69 C ATOM 1062 CD GLU A 70 -18.326 7.536 3.562 1.00 8.59 C ATOM 1063 OE1 GLU A 70 -18.763 8.622 3.125 1.00 9.68 O ATOM 1064 OE2 GLU A 70 -18.730 6.940 4.582 1.00 8.65 O ATOM 0 H GLU A 70 -17.196 3.416 0.725 1.00 4.50 H new ATOM 0 HA GLU A 70 -18.819 4.851 2.733 1.00 5.54 H new ATOM 0 HB2 GLU A 70 -16.933 6.109 0.767 1.00 6.82 H new ATOM 0 HB3 GLU A 70 -18.500 6.847 1.035 1.00 6.82 H new ATOM 0 HG2 GLU A 70 -16.690 6.154 3.374 1.00 7.69 H new ATOM 0 HG3 GLU A 70 -16.471 7.644 2.479 1.00 7.69 H new ATOM 1071 N ALA A 71 -18.968 4.581 -0.577 1.00 7.25 N ATOM 1072 CA ALA A 71 -19.424 3.701 -1.636 1.00 8.36 C ATOM 1073 C ALA A 71 -18.671 2.378 -1.438 1.00 8.61 C ATOM 1074 O ALA A 71 -19.160 1.323 -1.906 1.00 9.19 O ATOM 1075 CB ALA A 71 -19.112 4.368 -2.979 1.00 9.81 C ATOM 1076 OXT ALA A 71 -17.605 2.435 -0.781 1.00 8.73 O ATOM 0 H ALA A 71 -18.308 5.297 -0.882 1.00 7.25 H new ATOM 0 HA ALA A 71 -20.497 3.509 -1.617 1.00 8.36 H new ATOM 0 HB1 ALA A 71 -19.447 3.723 -3.792 1.00 9.81 H new ATOM 0 HB2 ALA A 71 -19.630 5.325 -3.039 1.00 9.81 H new ATOM 0 HB3 ALA A 71 -18.038 4.530 -3.064 1.00 9.81 H new TER 1082 ALA A 71