USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 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 37 ASN :FLIP amide:sc= 0 F(o=1.6,f=3.4) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -172:sc= 2.38 (180deg=0.926) USER MOD Set 1.3: A 44 THR OG1 : rot -150:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.4 (180deg=0.86) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.106 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 16 ASN : amide:sc= -0.0605 K(o=-0.061,f=-2!) USER MOD Single : A 17 CYS SG : rot -138:sc= 0.767 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0226 (180deg=-0.239) USER MOD Single : A 24 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 31:sc= 1.13 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 53 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.25) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.0581 K(o=0.058,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0.0162 (180deg=0.0152) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.253 -10.319 -9.753 1.00 6.04 N ATOM 2 CA MET A 1 -16.660 -9.789 -10.992 1.00 5.66 C ATOM 3 C MET A 1 -15.297 -9.177 -10.671 1.00 5.00 C ATOM 4 O MET A 1 -14.326 -9.917 -10.596 1.00 4.90 O ATOM 5 CB MET A 1 -17.600 -8.819 -11.733 1.00 7.10 C ATOM 6 CG MET A 1 -18.877 -9.511 -12.227 1.00 7.75 C ATOM 7 SD MET A 1 -20.050 -9.942 -10.917 1.00 8.41 S ATOM 8 CE MET A 1 -21.237 -10.928 -11.858 1.00 9.25 C ATOM 0 H1 MET A 1 -18.284 -10.392 -9.865 1.00 6.04 H new ATOM 0 H2 MET A 1 -16.859 -11.261 -9.555 1.00 6.04 H new ATOM 0 H3 MET A 1 -17.035 -9.679 -8.962 1.00 6.04 H new ATOM 0 HA MET A 1 -16.512 -10.611 -11.692 1.00 5.66 H new ATOM 0 HB2 MET A 1 -17.868 -7.997 -11.069 1.00 7.10 H new ATOM 0 HB3 MET A 1 -17.073 -8.383 -12.582 1.00 7.10 H new ATOM 0 HG2 MET A 1 -19.375 -8.858 -12.944 1.00 7.75 H new ATOM 0 HG3 MET A 1 -18.600 -10.419 -12.762 1.00 7.75 H new ATOM 0 HE1 MET A 1 -22.030 -11.273 -11.195 1.00 9.25 H new ATOM 0 HE2 MET A 1 -21.668 -10.318 -12.652 1.00 9.25 H new ATOM 0 HE3 MET A 1 -20.730 -11.788 -12.296 1.00 9.25 H new ATOM 20 N ALA A 2 -15.242 -7.861 -10.446 1.00 5.11 N ATOM 21 CA ALA A 2 -13.990 -7.140 -10.256 1.00 4.88 C ATOM 22 C ALA A 2 -13.234 -7.578 -8.995 1.00 3.12 C ATOM 23 O ALA A 2 -13.822 -8.145 -8.073 1.00 3.28 O ATOM 24 CB ALA A 2 -14.275 -5.636 -10.223 1.00 6.45 C ATOM 0 H ALA A 2 -16.070 -7.268 -10.391 1.00 5.11 H new ATOM 0 HA ALA A 2 -13.339 -7.378 -11.097 1.00 4.88 H new ATOM 0 HB1 ALA A 2 -13.341 -5.092 -10.081 1.00 6.45 H new ATOM 0 HB2 ALA A 2 -14.733 -5.332 -11.164 1.00 6.45 H new ATOM 0 HB3 ALA A 2 -14.954 -5.412 -9.400 1.00 6.45 H new ATOM 30 N GLU A 3 -11.938 -7.264 -8.973 1.00 2.40 N ATOM 31 CA GLU A 3 -10.919 -7.785 -8.077 1.00 1.14 C ATOM 32 C GLU A 3 -9.966 -6.650 -7.668 1.00 0.92 C ATOM 33 O GLU A 3 -8.740 -6.787 -7.674 1.00 1.37 O ATOM 34 CB GLU A 3 -10.206 -8.959 -8.778 1.00 2.77 C ATOM 35 CG GLU A 3 -9.515 -8.635 -10.121 1.00 4.47 C ATOM 36 CD GLU A 3 -10.457 -8.217 -11.246 1.00 5.58 C ATOM 37 OE1 GLU A 3 -10.748 -6.999 -11.308 1.00 5.90 O ATOM 38 OE2 GLU A 3 -10.918 -9.113 -11.983 1.00 6.61 O ATOM 0 H GLU A 3 -11.550 -6.589 -9.632 1.00 2.40 H new ATOM 0 HA GLU A 3 -11.356 -8.169 -7.155 1.00 1.14 H new ATOM 0 HB2 GLU A 3 -9.457 -9.361 -8.096 1.00 2.77 H new ATOM 0 HB3 GLU A 3 -10.937 -9.749 -8.951 1.00 2.77 H new ATOM 0 HG2 GLU A 3 -8.792 -7.836 -9.957 1.00 4.47 H new ATOM 0 HG3 GLU A 3 -8.953 -9.512 -10.444 1.00 4.47 H new ATOM 45 N LYS A 4 -10.563 -5.508 -7.302 1.00 0.64 N ATOM 46 CA LYS A 4 -9.865 -4.312 -6.856 1.00 0.49 C ATOM 47 C LYS A 4 -10.407 -3.867 -5.504 1.00 0.42 C ATOM 48 O LYS A 4 -11.588 -4.054 -5.208 1.00 0.48 O ATOM 49 CB LYS A 4 -9.972 -3.196 -7.905 1.00 0.73 C ATOM 50 CG LYS A 4 -11.407 -2.831 -8.309 1.00 0.98 C ATOM 51 CD LYS A 4 -11.354 -1.657 -9.299 1.00 1.63 C ATOM 52 CE LYS A 4 -12.710 -1.351 -9.949 1.00 2.22 C ATOM 53 NZ LYS A 4 -13.734 -0.940 -8.965 1.00 3.24 N ATOM 0 H LYS A 4 -11.577 -5.396 -7.311 1.00 0.64 H new ATOM 0 HA LYS A 4 -8.806 -4.542 -6.737 1.00 0.49 H new ATOM 0 HB2 LYS A 4 -9.480 -2.304 -7.518 1.00 0.73 H new ATOM 0 HB3 LYS A 4 -9.424 -3.501 -8.797 1.00 0.73 H new ATOM 0 HG2 LYS A 4 -11.901 -3.689 -8.765 1.00 0.98 H new ATOM 0 HG3 LYS A 4 -11.990 -2.558 -7.429 1.00 0.98 H new ATOM 0 HD2 LYS A 4 -10.999 -0.767 -8.779 1.00 1.63 H new ATOM 0 HD3 LYS A 4 -10.627 -1.881 -10.079 1.00 1.63 H new ATOM 0 HE2 LYS A 4 -12.584 -0.560 -10.688 1.00 2.22 H new ATOM 0 HE3 LYS A 4 -13.060 -2.234 -10.484 1.00 2.22 H new ATOM 0 HZ1 LYS A 4 -14.630 -0.746 -9.457 1.00 3.24 H new ATOM 0 HZ2 LYS A 4 -13.877 -1.704 -8.274 1.00 3.24 H new ATOM 0 HZ3 LYS A 4 -13.416 -0.081 -8.472 1.00 3.24 H new ATOM 67 N THR A 5 -9.560 -3.258 -4.676 1.00 0.35 N ATOM 68 CA THR A 5 -9.958 -2.682 -3.401 1.00 0.34 C ATOM 69 C THR A 5 -9.069 -1.497 -3.147 1.00 0.29 C ATOM 70 O THR A 5 -7.920 -1.487 -3.587 1.00 0.33 O ATOM 71 CB THR A 5 -9.819 -3.713 -2.273 1.00 0.40 C ATOM 72 OG1 THR A 5 -10.655 -4.767 -2.639 1.00 0.52 O ATOM 73 CG2 THR A 5 -10.299 -3.206 -0.908 1.00 0.45 C ATOM 0 H THR A 5 -8.566 -3.151 -4.878 1.00 0.35 H new ATOM 0 HA THR A 5 -11.004 -2.376 -3.431 1.00 0.34 H new ATOM 0 HB THR A 5 -8.766 -3.972 -2.160 1.00 0.40 H new ATOM 0 HG1 THR A 5 -10.614 -5.469 -1.957 1.00 0.52 H new ATOM 0 HG21 THR A 5 -10.169 -3.990 -0.162 1.00 0.45 H new ATOM 0 HG22 THR A 5 -9.717 -2.331 -0.619 1.00 0.45 H new ATOM 0 HG23 THR A 5 -11.353 -2.936 -0.970 1.00 0.45 H new ATOM 81 N VAL A 6 -9.599 -0.507 -2.433 1.00 0.31 N ATOM 82 CA VAL A 6 -8.800 0.571 -1.932 1.00 0.28 C ATOM 83 C VAL A 6 -9.041 0.802 -0.450 1.00 0.28 C ATOM 84 O VAL A 6 -10.162 0.682 0.041 1.00 0.39 O ATOM 85 CB VAL A 6 -8.971 1.805 -2.826 1.00 0.30 C ATOM 86 CG1 VAL A 6 -10.419 2.150 -3.173 1.00 0.38 C ATOM 87 CG2 VAL A 6 -8.280 3.052 -2.266 1.00 0.29 C ATOM 0 H VAL A 6 -10.589 -0.443 -2.195 1.00 0.31 H new ATOM 0 HA VAL A 6 -7.743 0.310 -1.987 1.00 0.28 H new ATOM 0 HB VAL A 6 -8.478 1.504 -3.750 1.00 0.30 H new ATOM 0 HG11 VAL A 6 -10.440 3.036 -3.808 1.00 0.38 H new ATOM 0 HG12 VAL A 6 -10.876 1.314 -3.702 1.00 0.38 H new ATOM 0 HG13 VAL A 6 -10.976 2.347 -2.257 1.00 0.38 H new ATOM 0 HG21 VAL A 6 -8.438 3.891 -2.944 1.00 0.29 H new ATOM 0 HG22 VAL A 6 -8.698 3.292 -1.289 1.00 0.29 H new ATOM 0 HG23 VAL A 6 -7.211 2.862 -2.166 1.00 0.29 H new ATOM 97 N TYR A 7 -7.944 1.083 0.251 1.00 0.21 N ATOM 98 CA TYR A 7 -7.872 1.206 1.691 1.00 0.22 C ATOM 99 C TYR A 7 -7.321 2.602 1.978 1.00 0.26 C ATOM 100 O TYR A 7 -6.544 3.117 1.172 1.00 0.32 O ATOM 101 CB TYR A 7 -6.935 0.117 2.238 1.00 0.25 C ATOM 102 CG TYR A 7 -7.171 -1.304 1.745 1.00 0.29 C ATOM 103 CD1 TYR A 7 -6.785 -1.681 0.443 1.00 1.83 C ATOM 104 CD2 TYR A 7 -7.608 -2.295 2.644 1.00 1.89 C ATOM 105 CE1 TYR A 7 -6.927 -3.012 0.016 1.00 1.85 C ATOM 106 CE2 TYR A 7 -7.756 -3.626 2.217 1.00 1.90 C ATOM 107 CZ TYR A 7 -7.411 -3.984 0.905 1.00 0.45 C ATOM 108 OH TYR A 7 -7.359 -5.302 0.566 1.00 0.61 O ATOM 0 H TYR A 7 -7.042 1.237 -0.199 1.00 0.21 H new ATOM 0 HA TYR A 7 -8.844 1.079 2.168 1.00 0.22 H new ATOM 0 HB2 TYR A 7 -5.910 0.396 1.992 1.00 0.25 H new ATOM 0 HB3 TYR A 7 -7.013 0.117 3.325 1.00 0.25 H new ATOM 0 HD1 TYR A 7 -6.377 -0.942 -0.231 1.00 1.83 H new ATOM 0 HD2 TYR A 7 -7.831 -2.031 3.667 1.00 1.89 H new ATOM 0 HE1 TYR A 7 -6.664 -3.287 -0.995 1.00 1.85 H new ATOM 0 HE2 TYR A 7 -8.135 -4.373 2.899 1.00 1.90 H new ATOM 0 HH TYR A 7 -7.734 -5.842 1.293 1.00 0.61 H new ATOM 118 N ARG A 8 -7.713 3.226 3.091 1.00 0.28 N ATOM 119 CA ARG A 8 -7.111 4.499 3.482 1.00 0.26 C ATOM 120 C ARG A 8 -5.806 4.207 4.213 1.00 0.26 C ATOM 121 O ARG A 8 -5.716 3.179 4.881 1.00 0.57 O ATOM 122 CB ARG A 8 -8.018 5.286 4.440 1.00 0.39 C ATOM 123 CG ARG A 8 -9.004 6.241 3.759 1.00 0.77 C ATOM 124 CD ARG A 8 -10.294 5.567 3.279 1.00 2.12 C ATOM 125 NE ARG A 8 -10.205 5.004 1.919 1.00 3.75 N ATOM 126 CZ ARG A 8 -10.502 5.691 0.805 1.00 4.93 C ATOM 127 NH1 ARG A 8 -10.374 7.022 0.804 1.00 5.02 N ATOM 128 NH2 ARG A 8 -10.941 5.063 -0.287 1.00 6.62 N ATOM 0 H ARG A 8 -8.431 2.878 3.726 1.00 0.28 H new ATOM 0 HA ARG A 8 -6.954 5.092 2.581 1.00 0.26 H new ATOM 0 HB2 ARG A 8 -8.582 4.578 5.047 1.00 0.39 H new ATOM 0 HB3 ARG A 8 -7.390 5.861 5.121 1.00 0.39 H new ATOM 0 HG2 ARG A 8 -9.261 7.039 4.456 1.00 0.77 H new ATOM 0 HG3 ARG A 8 -8.511 6.708 2.906 1.00 0.77 H new ATOM 0 HD2 ARG A 8 -10.556 4.770 3.975 1.00 2.12 H new ATOM 0 HD3 ARG A 8 -11.105 6.295 3.308 1.00 2.12 H new ATOM 0 HE ARG A 8 -9.900 4.036 1.819 1.00 3.75 H new ATOM 0 HH11 ARG A 8 -10.054 7.504 1.644 1.00 5.02 H new ATOM 0 HH12 ARG A 8 -10.597 7.555 -0.037 1.00 5.02 H new ATOM 0 HH21 ARG A 8 -11.054 4.049 -0.281 1.00 6.62 H new ATOM 0 HH22 ARG A 8 -11.163 5.597 -1.127 1.00 6.62 H new ATOM 142 N VAL A 9 -4.831 5.119 4.132 1.00 0.39 N ATOM 143 CA VAL A 9 -3.613 5.067 4.931 1.00 0.43 C ATOM 144 C VAL A 9 -3.238 6.477 5.376 1.00 0.47 C ATOM 145 O VAL A 9 -3.451 7.432 4.628 1.00 0.54 O ATOM 146 CB VAL A 9 -2.460 4.389 4.167 1.00 0.42 C ATOM 147 CG1 VAL A 9 -2.250 4.944 2.751 1.00 0.38 C ATOM 148 CG2 VAL A 9 -1.159 4.505 4.965 1.00 0.57 C ATOM 0 H VAL A 9 -4.871 5.920 3.502 1.00 0.39 H new ATOM 0 HA VAL A 9 -3.799 4.456 5.815 1.00 0.43 H new ATOM 0 HB VAL A 9 -2.744 3.343 4.054 1.00 0.42 H new ATOM 0 HG11 VAL A 9 -1.422 4.419 2.274 1.00 0.38 H new ATOM 0 HG12 VAL A 9 -3.158 4.799 2.165 1.00 0.38 H new ATOM 0 HG13 VAL A 9 -2.021 6.008 2.808 1.00 0.38 H new ATOM 0 HG21 VAL A 9 -0.351 4.022 4.415 1.00 0.57 H new ATOM 0 HG22 VAL A 9 -0.917 5.557 5.116 1.00 0.57 H new ATOM 0 HG23 VAL A 9 -1.281 4.018 5.933 1.00 0.57 H new ATOM 158 N ASP A 10 -2.651 6.573 6.575 1.00 0.56 N ATOM 159 CA ASP A 10 -2.149 7.804 7.161 1.00 0.64 C ATOM 160 C ASP A 10 -0.824 7.492 7.843 1.00 0.60 C ATOM 161 O ASP A 10 -0.504 6.322 8.061 1.00 0.59 O ATOM 162 CB ASP A 10 -3.161 8.342 8.185 1.00 0.86 C ATOM 163 CG ASP A 10 -3.981 9.481 7.600 1.00 1.37 C ATOM 164 OD1 ASP A 10 -3.346 10.506 7.270 1.00 2.08 O ATOM 165 OD2 ASP A 10 -5.214 9.307 7.503 1.00 2.42 O ATOM 0 H ASP A 10 -2.512 5.763 7.178 1.00 0.56 H new ATOM 0 HA ASP A 10 -2.004 8.563 6.392 1.00 0.64 H new ATOM 0 HB2 ASP A 10 -3.825 7.538 8.502 1.00 0.86 H new ATOM 0 HB3 ASP A 10 -2.634 8.689 9.074 1.00 0.86 H new ATOM 170 N GLY A 11 -0.078 8.537 8.209 1.00 0.70 N ATOM 171 CA GLY A 11 1.143 8.448 8.996 1.00 0.69 C ATOM 172 C GLY A 11 2.332 9.023 8.234 1.00 0.87 C ATOM 173 O GLY A 11 2.796 10.117 8.548 1.00 1.65 O ATOM 0 H GLY A 11 -0.319 9.495 7.956 1.00 0.70 H new ATOM 0 HA2 GLY A 11 1.014 8.987 9.935 1.00 0.69 H new ATOM 0 HA3 GLY A 11 1.340 7.407 9.251 1.00 0.69 H new ATOM 177 N LEU A 12 2.844 8.276 7.252 1.00 0.71 N ATOM 178 CA LEU A 12 4.009 8.714 6.493 1.00 0.79 C ATOM 179 C LEU A 12 3.641 9.912 5.625 1.00 0.88 C ATOM 180 O LEU A 12 2.471 10.099 5.297 1.00 1.16 O ATOM 181 CB LEU A 12 4.630 7.560 5.690 1.00 1.05 C ATOM 182 CG LEU A 12 3.949 7.178 4.358 1.00 1.40 C ATOM 183 CD1 LEU A 12 4.321 8.149 3.222 1.00 2.67 C ATOM 184 CD2 LEU A 12 4.428 5.776 3.975 1.00 2.29 C ATOM 0 H LEU A 12 2.470 7.371 6.968 1.00 0.71 H new ATOM 0 HA LEU A 12 4.784 9.037 7.188 1.00 0.79 H new ATOM 0 HB2 LEU A 12 5.668 7.817 5.477 1.00 1.05 H new ATOM 0 HB3 LEU A 12 4.645 6.676 6.327 1.00 1.05 H new ATOM 0 HG LEU A 12 2.868 7.220 4.494 1.00 1.40 H new ATOM 0 HD11 LEU A 12 3.820 7.843 2.303 1.00 2.67 H new ATOM 0 HD12 LEU A 12 4.006 9.158 3.488 1.00 2.67 H new ATOM 0 HD13 LEU A 12 5.400 8.134 3.069 1.00 2.67 H new ATOM 0 HD21 LEU A 12 3.963 5.477 3.036 1.00 2.29 H new ATOM 0 HD22 LEU A 12 5.512 5.781 3.858 1.00 2.29 H new ATOM 0 HD23 LEU A 12 4.151 5.070 4.758 1.00 2.29 H new ATOM 196 N SER A 13 4.634 10.713 5.235 1.00 1.11 N ATOM 197 CA SER A 13 4.423 11.931 4.464 1.00 1.44 C ATOM 198 C SER A 13 5.602 12.166 3.514 1.00 1.14 C ATOM 199 O SER A 13 6.302 13.170 3.618 1.00 1.46 O ATOM 200 CB SER A 13 4.167 13.097 5.433 1.00 2.12 C ATOM 201 OG SER A 13 4.980 12.993 6.590 1.00 2.81 O ATOM 0 H SER A 13 5.614 10.530 5.449 1.00 1.11 H new ATOM 0 HA SER A 13 3.542 11.842 3.828 1.00 1.44 H new ATOM 0 HB2 SER A 13 4.367 14.042 4.929 1.00 2.12 H new ATOM 0 HB3 SER A 13 3.117 13.107 5.724 1.00 2.12 H new ATOM 0 HG SER A 13 4.797 13.748 7.187 1.00 2.81 H new ATOM 207 N CYS A 14 5.832 11.241 2.571 1.00 0.88 N ATOM 208 CA CYS A 14 6.953 11.361 1.642 1.00 0.82 C ATOM 209 C CYS A 14 6.769 10.512 0.380 1.00 0.76 C ATOM 210 O CYS A 14 6.617 9.293 0.464 1.00 0.66 O ATOM 211 CB CYS A 14 8.256 10.966 2.344 1.00 0.97 C ATOM 212 SG CYS A 14 9.609 11.589 1.330 1.00 1.81 S ATOM 0 H CYS A 14 5.258 10.409 2.436 1.00 0.88 H new ATOM 0 HA CYS A 14 6.996 12.403 1.327 1.00 0.82 H new ATOM 0 HB2 CYS A 14 8.298 11.391 3.347 1.00 0.97 H new ATOM 0 HB3 CYS A 14 8.323 9.884 2.453 1.00 0.97 H new ATOM 0 HG CYS A 14 10.744 11.282 1.884 1.00 1.81 H new ATOM 218 N THR A 15 6.813 11.139 -0.799 1.00 0.93 N ATOM 219 CA THR A 15 6.683 10.482 -2.092 1.00 0.97 C ATOM 220 C THR A 15 7.594 9.255 -2.204 1.00 0.91 C ATOM 221 O THR A 15 7.165 8.194 -2.647 1.00 0.87 O ATOM 222 CB THR A 15 6.990 11.517 -3.183 1.00 1.12 C ATOM 223 OG1 THR A 15 6.423 12.755 -2.795 1.00 1.45 O ATOM 224 CG2 THR A 15 6.424 11.085 -4.539 1.00 1.73 C ATOM 0 H THR A 15 6.944 12.148 -0.877 1.00 0.93 H new ATOM 0 HA THR A 15 5.666 10.108 -2.212 1.00 0.97 H new ATOM 0 HB THR A 15 8.070 11.608 -3.294 1.00 1.12 H new ATOM 0 HG1 THR A 15 6.611 13.430 -3.480 1.00 1.45 H new ATOM 0 HG21 THR A 15 6.659 11.840 -5.289 1.00 1.73 H new ATOM 0 HG22 THR A 15 6.867 10.133 -4.832 1.00 1.73 H new ATOM 0 HG23 THR A 15 5.342 10.974 -4.463 1.00 1.73 H new ATOM 232 N ASN A 16 8.853 9.381 -1.779 1.00 0.95 N ATOM 233 CA ASN A 16 9.812 8.288 -1.839 1.00 0.96 C ATOM 234 C ASN A 16 9.304 7.062 -1.076 1.00 0.75 C ATOM 235 O ASN A 16 9.526 5.928 -1.498 1.00 0.61 O ATOM 236 CB ASN A 16 11.183 8.729 -1.309 1.00 1.10 C ATOM 237 CG ASN A 16 11.883 9.715 -2.243 1.00 2.02 C ATOM 238 OD1 ASN A 16 11.240 10.543 -2.881 1.00 3.18 O ATOM 239 ND2 ASN A 16 13.207 9.639 -2.339 1.00 2.43 N ATOM 0 H ASN A 16 9.231 10.243 -1.386 1.00 0.95 H new ATOM 0 HA ASN A 16 9.927 8.007 -2.886 1.00 0.96 H new ATOM 0 HB2 ASN A 16 11.059 9.188 -0.328 1.00 1.10 H new ATOM 0 HB3 ASN A 16 11.815 7.852 -1.172 1.00 1.10 H new ATOM 0 HD21 ASN A 16 13.711 10.278 -2.954 1.00 2.43 H new ATOM 0 HD22 ASN A 16 13.718 8.942 -1.798 1.00 2.43 H new ATOM 246 N CYS A 17 8.614 7.278 0.047 1.00 0.74 N ATOM 247 CA CYS A 17 8.042 6.178 0.809 1.00 0.58 C ATOM 248 C CYS A 17 6.879 5.562 0.043 1.00 0.50 C ATOM 249 O CYS A 17 6.753 4.340 0.008 1.00 0.42 O ATOM 250 CB CYS A 17 7.580 6.635 2.188 1.00 0.58 C ATOM 251 SG CYS A 17 8.989 6.727 3.312 1.00 0.90 S ATOM 0 H CYS A 17 8.441 8.202 0.443 1.00 0.74 H new ATOM 0 HA CYS A 17 8.819 5.427 0.950 1.00 0.58 H new ATOM 0 HB2 CYS A 17 7.099 7.610 2.115 1.00 0.58 H new ATOM 0 HB3 CYS A 17 6.836 5.941 2.580 1.00 0.58 H new ATOM 0 HG CYS A 17 8.650 6.251 4.473 1.00 0.90 H new ATOM 257 N ALA A 18 6.036 6.386 -0.588 1.00 0.59 N ATOM 258 CA ALA A 18 4.998 5.874 -1.476 1.00 0.60 C ATOM 259 C ALA A 18 5.621 4.979 -2.555 1.00 0.54 C ATOM 260 O ALA A 18 5.165 3.859 -2.766 1.00 0.48 O ATOM 261 CB ALA A 18 4.188 7.025 -2.086 1.00 0.78 C ATOM 0 H ALA A 18 6.055 7.402 -0.499 1.00 0.59 H new ATOM 0 HA ALA A 18 4.304 5.265 -0.897 1.00 0.60 H new ATOM 0 HB1 ALA A 18 3.420 6.620 -2.745 1.00 0.78 H new ATOM 0 HB2 ALA A 18 3.717 7.600 -1.289 1.00 0.78 H new ATOM 0 HB3 ALA A 18 4.851 7.674 -2.658 1.00 0.78 H new ATOM 267 N ALA A 19 6.695 5.459 -3.190 1.00 0.61 N ATOM 268 CA ALA A 19 7.413 4.732 -4.234 1.00 0.58 C ATOM 269 C ALA A 19 7.916 3.380 -3.710 1.00 0.47 C ATOM 270 O ALA A 19 7.666 2.329 -4.303 1.00 0.43 O ATOM 271 CB ALA A 19 8.561 5.587 -4.779 1.00 0.71 C ATOM 0 H ALA A 19 7.093 6.376 -2.988 1.00 0.61 H new ATOM 0 HA ALA A 19 6.726 4.527 -5.055 1.00 0.58 H new ATOM 0 HB1 ALA A 19 9.089 5.035 -5.556 1.00 0.71 H new ATOM 0 HB2 ALA A 19 8.160 6.510 -5.198 1.00 0.71 H new ATOM 0 HB3 ALA A 19 9.252 5.826 -3.971 1.00 0.71 H new ATOM 277 N LYS A 20 8.628 3.415 -2.578 1.00 0.46 N ATOM 278 CA LYS A 20 9.096 2.229 -1.869 1.00 0.42 C ATOM 279 C LYS A 20 7.933 1.255 -1.664 1.00 0.32 C ATOM 280 O LYS A 20 8.038 0.078 -2.012 1.00 0.38 O ATOM 281 CB LYS A 20 9.699 2.682 -0.528 1.00 0.55 C ATOM 282 CG LYS A 20 10.395 1.588 0.291 1.00 0.64 C ATOM 283 CD LYS A 20 11.747 1.203 -0.328 1.00 1.44 C ATOM 284 CE LYS A 20 12.665 0.484 0.672 1.00 1.63 C ATOM 285 NZ LYS A 20 13.100 1.364 1.780 1.00 2.21 N ATOM 0 H LYS A 20 8.898 4.288 -2.124 1.00 0.46 H new ATOM 0 HA LYS A 20 9.860 1.707 -2.445 1.00 0.42 H new ATOM 0 HB2 LYS A 20 10.419 3.477 -0.724 1.00 0.55 H new ATOM 0 HB3 LYS A 20 8.904 3.115 0.079 1.00 0.55 H new ATOM 0 HG2 LYS A 20 10.546 1.936 1.313 1.00 0.64 H new ATOM 0 HG3 LYS A 20 9.754 0.708 0.346 1.00 0.64 H new ATOM 0 HD2 LYS A 20 11.578 0.558 -1.191 1.00 1.44 H new ATOM 0 HD3 LYS A 20 12.245 2.101 -0.694 1.00 1.44 H new ATOM 0 HE2 LYS A 20 12.143 -0.380 1.083 1.00 1.63 H new ATOM 0 HE3 LYS A 20 13.542 0.106 0.147 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 13.923 0.942 2.256 1.00 2.21 H new ATOM 0 HZ2 LYS A 20 13.360 2.297 1.401 1.00 2.21 H new ATOM 0 HZ3 LYS A 20 12.323 1.472 2.463 1.00 2.21 H new ATOM 299 N PHE A 21 6.830 1.753 -1.101 1.00 0.28 N ATOM 300 CA PHE A 21 5.617 0.982 -0.904 1.00 0.33 C ATOM 301 C PHE A 21 5.161 0.314 -2.197 1.00 0.39 C ATOM 302 O PHE A 21 5.088 -0.913 -2.231 1.00 0.46 O ATOM 303 CB PHE A 21 4.506 1.851 -0.302 1.00 0.35 C ATOM 304 CG PHE A 21 4.273 1.600 1.166 1.00 0.84 C ATOM 305 CD1 PHE A 21 3.656 0.405 1.577 1.00 1.77 C ATOM 306 CD2 PHE A 21 4.618 2.578 2.113 1.00 2.33 C ATOM 307 CE1 PHE A 21 3.296 0.234 2.923 1.00 1.92 C ATOM 308 CE2 PHE A 21 4.379 2.341 3.473 1.00 2.71 C ATOM 309 CZ PHE A 21 3.639 1.217 3.866 1.00 1.74 C ATOM 0 H PHE A 21 6.761 2.715 -0.768 1.00 0.28 H new ATOM 0 HA PHE A 21 5.842 0.188 -0.193 1.00 0.33 H new ATOM 0 HB2 PHE A 21 4.759 2.901 -0.447 1.00 0.35 H new ATOM 0 HB3 PHE A 21 3.579 1.668 -0.845 1.00 0.35 H new ATOM 0 HD1 PHE A 21 3.460 -0.378 0.860 1.00 1.77 H new ATOM 0 HD2 PHE A 21 5.065 3.508 1.795 1.00 2.33 H new ATOM 0 HE1 PHE A 21 2.758 -0.650 3.232 1.00 1.92 H new ATOM 0 HE2 PHE A 21 4.764 3.023 4.217 1.00 2.71 H new ATOM 0 HZ PHE A 21 3.332 1.107 4.896 1.00 1.74 H new ATOM 319 N GLU A 22 4.826 1.077 -3.245 1.00 0.40 N ATOM 320 CA GLU A 22 4.255 0.460 -4.437 1.00 0.51 C ATOM 321 C GLU A 22 5.194 -0.599 -5.007 1.00 0.45 C ATOM 322 O GLU A 22 4.722 -1.651 -5.415 1.00 0.49 O ATOM 323 CB GLU A 22 3.847 1.456 -5.524 1.00 0.64 C ATOM 324 CG GLU A 22 4.951 2.394 -6.000 1.00 0.58 C ATOM 325 CD GLU A 22 4.463 3.266 -7.145 1.00 1.30 C ATOM 326 OE1 GLU A 22 4.235 2.683 -8.228 1.00 1.77 O ATOM 327 OE2 GLU A 22 4.318 4.483 -6.910 1.00 2.66 O ATOM 0 H GLU A 22 4.937 2.090 -3.289 1.00 0.40 H new ATOM 0 HA GLU A 22 3.332 -0.014 -4.104 1.00 0.51 H new ATOM 0 HB2 GLU A 22 3.473 0.898 -6.382 1.00 0.64 H new ATOM 0 HB3 GLU A 22 3.019 2.058 -5.149 1.00 0.64 H new ATOM 0 HG2 GLU A 22 5.281 3.023 -5.173 1.00 0.58 H new ATOM 0 HG3 GLU A 22 5.814 1.812 -6.323 1.00 0.58 H new ATOM 334 N ARG A 23 6.507 -0.349 -5.031 1.00 0.38 N ATOM 335 CA ARG A 23 7.491 -1.373 -5.381 1.00 0.42 C ATOM 336 C ARG A 23 7.288 -2.627 -4.523 1.00 0.40 C ATOM 337 O ARG A 23 7.095 -3.714 -5.059 1.00 0.43 O ATOM 338 CB ARG A 23 8.917 -0.831 -5.173 1.00 0.50 C ATOM 339 CG ARG A 23 9.564 -0.368 -6.481 1.00 1.21 C ATOM 340 CD ARG A 23 11.032 -0.021 -6.208 1.00 1.35 C ATOM 341 NE ARG A 23 11.707 0.468 -7.419 1.00 2.35 N ATOM 342 CZ ARG A 23 12.989 0.868 -7.462 1.00 2.78 C ATOM 343 NH1 ARG A 23 13.746 0.787 -6.362 1.00 3.10 N ATOM 344 NH2 ARG A 23 13.506 1.349 -8.599 1.00 3.91 N ATOM 0 H ARG A 23 6.913 0.560 -4.810 1.00 0.38 H new ATOM 0 HA ARG A 23 7.355 -1.636 -6.430 1.00 0.42 H new ATOM 0 HB2 ARG A 23 8.887 0.003 -4.471 1.00 0.50 H new ATOM 0 HB3 ARG A 23 9.535 -1.607 -4.720 1.00 0.50 H new ATOM 0 HG2 ARG A 23 9.495 -1.152 -7.235 1.00 1.21 H new ATOM 0 HG3 ARG A 23 9.038 0.501 -6.876 1.00 1.21 H new ATOM 0 HD2 ARG A 23 11.088 0.738 -5.428 1.00 1.35 H new ATOM 0 HD3 ARG A 23 11.551 -0.903 -5.832 1.00 1.35 H new ATOM 0 HE ARG A 23 11.167 0.506 -8.283 1.00 2.35 H new ATOM 0 HH11 ARG A 23 13.349 0.423 -5.496 1.00 3.10 H new ATOM 0 HH12 ARG A 23 14.720 1.089 -6.390 1.00 3.10 H new ATOM 0 HH21 ARG A 23 12.926 1.413 -9.436 1.00 3.91 H new ATOM 0 HH22 ARG A 23 14.480 1.652 -8.629 1.00 3.91 H new ATOM 358 N ASN A 24 7.315 -2.472 -3.196 1.00 0.37 N ATOM 359 CA ASN A 24 7.135 -3.591 -2.274 1.00 0.40 C ATOM 360 C ASN A 24 5.866 -4.374 -2.631 1.00 0.46 C ATOM 361 O ASN A 24 5.862 -5.601 -2.669 1.00 0.53 O ATOM 362 CB ASN A 24 7.078 -3.085 -0.819 1.00 0.43 C ATOM 363 CG ASN A 24 7.974 -3.876 0.131 1.00 0.98 C ATOM 364 OD1 ASN A 24 8.207 -5.065 -0.043 1.00 2.37 O ATOM 365 ND2 ASN A 24 8.470 -3.219 1.178 1.00 0.96 N ATOM 0 H ASN A 24 7.461 -1.573 -2.736 1.00 0.37 H new ATOM 0 HA ASN A 24 7.989 -4.263 -2.366 1.00 0.40 H new ATOM 0 HB2 ASN A 24 7.372 -2.036 -0.795 1.00 0.43 H new ATOM 0 HB3 ASN A 24 6.049 -3.136 -0.464 1.00 0.43 H new ATOM 0 HD21 ASN A 24 9.057 -3.707 1.855 1.00 0.96 H new ATOM 0 HD22 ASN A 24 8.263 -2.228 1.303 1.00 0.96 H new ATOM 372 N VAL A 25 4.784 -3.651 -2.929 1.00 0.43 N ATOM 373 CA VAL A 25 3.533 -4.238 -3.388 1.00 0.42 C ATOM 374 C VAL A 25 3.724 -4.977 -4.715 1.00 0.45 C ATOM 375 O VAL A 25 3.320 -6.125 -4.841 1.00 0.45 O ATOM 376 CB VAL A 25 2.435 -3.157 -3.435 1.00 0.43 C ATOM 377 CG1 VAL A 25 1.106 -3.687 -3.981 1.00 0.37 C ATOM 378 CG2 VAL A 25 2.202 -2.606 -2.026 1.00 0.48 C ATOM 0 H VAL A 25 4.756 -2.634 -2.856 1.00 0.43 H new ATOM 0 HA VAL A 25 3.202 -4.996 -2.678 1.00 0.42 H new ATOM 0 HB VAL A 25 2.785 -2.376 -4.110 1.00 0.43 H new ATOM 0 HG11 VAL A 25 0.370 -2.883 -3.991 1.00 0.37 H new ATOM 0 HG12 VAL A 25 1.252 -4.059 -4.995 1.00 0.37 H new ATOM 0 HG13 VAL A 25 0.749 -4.497 -3.346 1.00 0.37 H new ATOM 0 HG21 VAL A 25 1.426 -1.841 -2.058 1.00 0.48 H new ATOM 0 HG22 VAL A 25 1.888 -3.415 -1.366 1.00 0.48 H new ATOM 0 HG23 VAL A 25 3.126 -2.169 -1.649 1.00 0.48 H new ATOM 388 N LYS A 26 4.341 -4.342 -5.707 1.00 0.48 N ATOM 389 CA LYS A 26 4.620 -4.910 -7.013 1.00 0.47 C ATOM 390 C LYS A 26 5.464 -6.191 -6.924 1.00 0.46 C ATOM 391 O LYS A 26 5.334 -7.054 -7.789 1.00 0.46 O ATOM 392 CB LYS A 26 5.260 -3.793 -7.848 1.00 0.46 C ATOM 393 CG LYS A 26 4.175 -2.813 -8.313 1.00 0.60 C ATOM 394 CD LYS A 26 4.809 -1.469 -8.677 1.00 0.62 C ATOM 395 CE LYS A 26 3.800 -0.457 -9.243 1.00 0.95 C ATOM 396 NZ LYS A 26 3.340 -0.786 -10.608 1.00 1.92 N ATOM 0 H LYS A 26 4.671 -3.381 -5.615 1.00 0.48 H new ATOM 0 HA LYS A 26 3.706 -5.247 -7.502 1.00 0.47 H new ATOM 0 HB2 LYS A 26 6.010 -3.267 -7.257 1.00 0.46 H new ATOM 0 HB3 LYS A 26 5.774 -4.218 -8.710 1.00 0.46 H new ATOM 0 HG2 LYS A 26 3.649 -3.222 -9.175 1.00 0.60 H new ATOM 0 HG3 LYS A 26 3.436 -2.674 -7.524 1.00 0.60 H new ATOM 0 HD2 LYS A 26 5.281 -1.045 -7.790 1.00 0.62 H new ATOM 0 HD3 LYS A 26 5.599 -1.634 -9.410 1.00 0.62 H new ATOM 0 HE2 LYS A 26 2.937 -0.406 -8.579 1.00 0.95 H new ATOM 0 HE3 LYS A 26 4.255 0.533 -9.250 1.00 0.95 H new ATOM 0 HZ1 LYS A 26 2.663 -0.065 -10.929 1.00 1.92 H new ATOM 0 HZ2 LYS A 26 4.155 -0.807 -11.253 1.00 1.92 H new ATOM 0 HZ3 LYS A 26 2.878 -1.718 -10.603 1.00 1.92 H new ATOM 410 N GLU A 27 6.294 -6.346 -5.887 1.00 0.48 N ATOM 411 CA GLU A 27 6.994 -7.605 -5.631 1.00 0.51 C ATOM 412 C GLU A 27 6.044 -8.741 -5.202 1.00 0.49 C ATOM 413 O GLU A 27 6.395 -9.910 -5.354 1.00 0.61 O ATOM 414 CB GLU A 27 8.124 -7.393 -4.614 1.00 0.63 C ATOM 415 CG GLU A 27 9.230 -6.494 -5.189 1.00 0.73 C ATOM 416 CD GLU A 27 10.340 -6.229 -4.179 1.00 1.34 C ATOM 417 OE1 GLU A 27 10.909 -7.227 -3.688 1.00 2.13 O ATOM 418 OE2 GLU A 27 10.612 -5.033 -3.931 1.00 2.21 O ATOM 0 H GLU A 27 6.497 -5.611 -5.210 1.00 0.48 H new ATOM 0 HA GLU A 27 7.435 -7.927 -6.574 1.00 0.51 H new ATOM 0 HB2 GLU A 27 7.721 -6.942 -3.707 1.00 0.63 H new ATOM 0 HB3 GLU A 27 8.546 -8.357 -4.330 1.00 0.63 H new ATOM 0 HG2 GLU A 27 9.653 -6.964 -6.076 1.00 0.73 H new ATOM 0 HG3 GLU A 27 8.796 -5.546 -5.507 1.00 0.73 H new ATOM 425 N ILE A 28 4.854 -8.442 -4.669 1.00 0.45 N ATOM 426 CA ILE A 28 3.864 -9.468 -4.351 1.00 0.42 C ATOM 427 C ILE A 28 3.332 -10.044 -5.671 1.00 0.33 C ATOM 428 O ILE A 28 2.941 -9.300 -6.563 1.00 0.51 O ATOM 429 CB ILE A 28 2.698 -8.892 -3.520 1.00 0.42 C ATOM 430 CG1 ILE A 28 3.120 -8.119 -2.260 1.00 0.48 C ATOM 431 CG2 ILE A 28 1.709 -9.998 -3.117 1.00 0.53 C ATOM 432 CD1 ILE A 28 1.997 -7.164 -1.828 1.00 1.36 C ATOM 0 H ILE A 28 4.556 -7.492 -4.449 1.00 0.45 H new ATOM 0 HA ILE A 28 4.336 -10.247 -3.752 1.00 0.42 H new ATOM 0 HB ILE A 28 2.224 -8.170 -4.185 1.00 0.42 H new ATOM 0 HG12 ILE A 28 3.345 -8.817 -1.454 1.00 0.48 H new ATOM 0 HG13 ILE A 28 4.032 -7.555 -2.458 1.00 0.48 H new ATOM 0 HG21 ILE A 28 0.897 -9.565 -2.532 1.00 0.53 H new ATOM 0 HG22 ILE A 28 1.301 -10.466 -4.013 1.00 0.53 H new ATOM 0 HG23 ILE A 28 2.226 -10.749 -2.519 1.00 0.53 H new ATOM 0 HD11 ILE A 28 2.305 -6.621 -0.935 1.00 1.36 H new ATOM 0 HD12 ILE A 28 1.793 -6.456 -2.631 1.00 1.36 H new ATOM 0 HD13 ILE A 28 1.095 -7.737 -1.611 1.00 1.36 H new ATOM 444 N GLU A 29 3.263 -11.369 -5.786 1.00 0.48 N ATOM 445 CA GLU A 29 2.779 -12.050 -6.975 1.00 0.55 C ATOM 446 C GLU A 29 1.261 -11.964 -7.119 1.00 0.90 C ATOM 447 O GLU A 29 0.720 -11.943 -8.220 1.00 2.20 O ATOM 448 CB GLU A 29 3.253 -13.506 -6.919 1.00 0.81 C ATOM 449 CG GLU A 29 4.653 -13.680 -7.520 1.00 0.83 C ATOM 450 CD GLU A 29 5.117 -15.135 -7.496 1.00 1.60 C ATOM 451 OE1 GLU A 29 4.240 -16.016 -7.361 1.00 2.76 O ATOM 452 OE2 GLU A 29 6.343 -15.338 -7.616 1.00 2.23 O ATOM 0 H GLU A 29 3.547 -12.005 -5.041 1.00 0.48 H new ATOM 0 HA GLU A 29 3.187 -11.557 -7.857 1.00 0.55 H new ATOM 0 HB2 GLU A 29 3.259 -13.845 -5.883 1.00 0.81 H new ATOM 0 HB3 GLU A 29 2.547 -14.138 -7.457 1.00 0.81 H new ATOM 0 HG2 GLU A 29 4.652 -13.318 -8.548 1.00 0.83 H new ATOM 0 HG3 GLU A 29 5.363 -13.065 -6.966 1.00 0.83 H new ATOM 459 N GLY A 30 0.580 -11.943 -5.981 1.00 0.66 N ATOM 460 CA GLY A 30 -0.871 -11.893 -5.901 1.00 0.76 C ATOM 461 C GLY A 30 -1.450 -10.644 -6.569 1.00 0.67 C ATOM 462 O GLY A 30 -2.535 -10.693 -7.142 1.00 0.91 O ATOM 0 H GLY A 30 1.033 -11.961 -5.067 1.00 0.66 H new ATOM 0 HA2 GLY A 30 -1.289 -12.782 -6.374 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -1.175 -11.916 -4.855 1.00 0.76 H new ATOM 466 N VAL A 31 -0.775 -9.497 -6.467 1.00 0.49 N ATOM 467 CA VAL A 31 -1.296 -8.256 -7.005 1.00 0.49 C ATOM 468 C VAL A 31 -0.910 -8.124 -8.482 1.00 0.47 C ATOM 469 O VAL A 31 0.034 -8.757 -8.946 1.00 0.61 O ATOM 470 CB VAL A 31 -0.804 -7.099 -6.126 1.00 0.55 C ATOM 471 CG1 VAL A 31 0.648 -6.730 -6.394 1.00 0.60 C ATOM 472 CG2 VAL A 31 -1.664 -5.857 -6.306 1.00 0.63 C ATOM 0 H VAL A 31 0.135 -9.410 -6.014 1.00 0.49 H new ATOM 0 HA VAL A 31 -2.386 -8.238 -6.982 1.00 0.49 H new ATOM 0 HB VAL A 31 -0.884 -7.459 -5.100 1.00 0.55 H new ATOM 0 HG11 VAL A 31 0.940 -5.906 -5.743 1.00 0.60 H new ATOM 0 HG12 VAL A 31 1.285 -7.592 -6.196 1.00 0.60 H new ATOM 0 HG13 VAL A 31 0.760 -6.427 -7.435 1.00 0.60 H new ATOM 0 HG21 VAL A 31 -1.287 -5.058 -5.668 1.00 0.63 H new ATOM 0 HG22 VAL A 31 -1.629 -5.538 -7.348 1.00 0.63 H new ATOM 0 HG23 VAL A 31 -2.694 -6.085 -6.031 1.00 0.63 H new ATOM 482 N THR A 32 -1.646 -7.293 -9.217 1.00 0.48 N ATOM 483 CA THR A 32 -1.391 -6.969 -10.609 1.00 0.50 C ATOM 484 C THR A 32 -1.107 -5.478 -10.704 1.00 0.49 C ATOM 485 O THR A 32 -0.024 -5.101 -11.148 1.00 0.54 O ATOM 486 CB THR A 32 -2.574 -7.406 -11.481 1.00 0.51 C ATOM 487 OG1 THR A 32 -2.862 -8.763 -11.212 1.00 0.57 O ATOM 488 CG2 THR A 32 -2.259 -7.247 -12.971 1.00 0.57 C ATOM 0 H THR A 32 -2.464 -6.813 -8.842 1.00 0.48 H new ATOM 0 HA THR A 32 -0.521 -7.509 -10.984 1.00 0.50 H new ATOM 0 HB THR A 32 -3.430 -6.774 -11.244 1.00 0.51 H new ATOM 0 HG1 THR A 32 -3.619 -9.052 -11.763 1.00 0.57 H new ATOM 0 HG21 THR A 32 -3.119 -7.566 -13.561 1.00 0.57 H new ATOM 0 HG22 THR A 32 -2.038 -6.202 -13.187 1.00 0.57 H new ATOM 0 HG23 THR A 32 -1.395 -7.860 -13.228 1.00 0.57 H new ATOM 496 N GLU A 33 -2.046 -4.638 -10.246 1.00 0.45 N ATOM 497 CA GLU A 33 -1.773 -3.200 -10.176 1.00 0.48 C ATOM 498 C GLU A 33 -2.073 -2.647 -8.791 1.00 0.47 C ATOM 499 O GLU A 33 -3.015 -3.088 -8.145 1.00 0.68 O ATOM 500 CB GLU A 33 -2.538 -2.430 -11.258 1.00 0.54 C ATOM 501 CG GLU A 33 -2.019 -2.764 -12.663 1.00 0.62 C ATOM 502 CD GLU A 33 -2.149 -1.560 -13.587 1.00 1.07 C ATOM 503 OE1 GLU A 33 -1.306 -0.650 -13.429 1.00 1.76 O ATOM 504 OE2 GLU A 33 -3.095 -1.561 -14.402 1.00 2.28 O ATOM 0 H GLU A 33 -2.973 -4.920 -9.928 1.00 0.45 H new ATOM 0 HA GLU A 33 -0.709 -3.061 -10.365 1.00 0.48 H new ATOM 0 HB2 GLU A 33 -3.599 -2.670 -11.195 1.00 0.54 H new ATOM 0 HB3 GLU A 33 -2.443 -1.359 -11.079 1.00 0.54 H new ATOM 0 HG2 GLU A 33 -0.975 -3.074 -12.606 1.00 0.62 H new ATOM 0 HG3 GLU A 33 -2.579 -3.605 -13.072 1.00 0.62 H new ATOM 511 N ALA A 34 -1.292 -1.669 -8.325 1.00 0.38 N ATOM 512 CA ALA A 34 -1.593 -0.945 -7.100 1.00 0.39 C ATOM 513 C ALA A 34 -1.326 0.539 -7.326 1.00 0.41 C ATOM 514 O ALA A 34 -0.275 0.875 -7.870 1.00 0.46 O ATOM 515 CB ALA A 34 -0.759 -1.508 -5.949 1.00 0.50 C ATOM 0 H ALA A 34 -0.437 -1.362 -8.789 1.00 0.38 H new ATOM 0 HA ALA A 34 -2.642 -1.066 -6.831 1.00 0.39 H new ATOM 0 HB1 ALA A 34 -0.988 -0.963 -5.033 1.00 0.50 H new ATOM 0 HB2 ALA A 34 -0.994 -2.563 -5.811 1.00 0.50 H new ATOM 0 HB3 ALA A 34 0.301 -1.400 -6.181 1.00 0.50 H new ATOM 521 N ILE A 35 -2.270 1.416 -6.951 1.00 0.45 N ATOM 522 CA ILE A 35 -2.177 2.845 -7.235 1.00 0.53 C ATOM 523 C ILE A 35 -2.056 3.576 -5.904 1.00 0.55 C ATOM 524 O ILE A 35 -3.040 4.101 -5.360 1.00 0.92 O ATOM 525 CB ILE A 35 -3.354 3.340 -8.097 1.00 0.56 C ATOM 526 CG1 ILE A 35 -3.519 2.514 -9.383 1.00 0.65 C ATOM 527 CG2 ILE A 35 -3.089 4.799 -8.507 1.00 0.65 C ATOM 528 CD1 ILE A 35 -4.357 1.238 -9.238 1.00 2.01 C ATOM 0 H ILE A 35 -3.114 1.150 -6.444 1.00 0.45 H new ATOM 0 HA ILE A 35 -1.292 3.055 -7.836 1.00 0.53 H new ATOM 0 HB ILE A 35 -4.262 3.242 -7.502 1.00 0.56 H new ATOM 0 HG12 ILE A 35 -3.977 3.145 -10.145 1.00 0.65 H new ATOM 0 HG13 ILE A 35 -2.530 2.240 -9.749 1.00 0.65 H new ATOM 0 HG21 ILE A 35 -3.916 5.161 -9.118 1.00 0.65 H new ATOM 0 HG22 ILE A 35 -3.000 5.417 -7.614 1.00 0.65 H new ATOM 0 HG23 ILE A 35 -2.163 4.854 -9.080 1.00 0.65 H new ATOM 0 HD11 ILE A 35 -4.413 0.728 -10.200 1.00 2.01 H new ATOM 0 HD12 ILE A 35 -3.892 0.579 -8.504 1.00 2.01 H new ATOM 0 HD13 ILE A 35 -5.362 1.499 -8.907 1.00 2.01 H new ATOM 540 N VAL A 36 -0.846 3.564 -5.348 1.00 0.42 N ATOM 541 CA VAL A 36 -0.643 3.970 -3.975 1.00 0.44 C ATOM 542 C VAL A 36 -0.502 5.484 -3.873 1.00 0.47 C ATOM 543 O VAL A 36 0.138 6.118 -4.706 1.00 0.59 O ATOM 544 CB VAL A 36 0.509 3.197 -3.329 1.00 0.61 C ATOM 545 CG1 VAL A 36 0.482 1.718 -3.744 1.00 2.14 C ATOM 546 CG2 VAL A 36 1.876 3.830 -3.591 1.00 1.68 C ATOM 0 H VAL A 36 0.003 3.276 -5.834 1.00 0.42 H new ATOM 0 HA VAL A 36 -1.529 3.709 -3.396 1.00 0.44 H new ATOM 0 HB VAL A 36 0.355 3.251 -2.251 1.00 0.61 H new ATOM 0 HG11 VAL A 36 1.311 1.192 -3.271 1.00 2.14 H new ATOM 0 HG12 VAL A 36 -0.460 1.269 -3.429 1.00 2.14 H new ATOM 0 HG13 VAL A 36 0.575 1.642 -4.827 1.00 2.14 H new ATOM 0 HG21 VAL A 36 2.651 3.236 -3.107 1.00 1.68 H new ATOM 0 HG22 VAL A 36 2.062 3.863 -4.665 1.00 1.68 H new ATOM 0 HG23 VAL A 36 1.891 4.843 -3.188 1.00 1.68 H new ATOM 556 N ASN A 37 -1.162 6.066 -2.875 1.00 0.60 N ATOM 557 CA ASN A 37 -1.153 7.488 -2.582 1.00 0.72 C ATOM 558 C ASN A 37 -0.931 7.606 -1.074 1.00 1.05 C ATOM 559 O ASN A 37 -1.760 8.160 -0.352 1.00 2.05 O ATOM 560 CB ASN A 37 -2.477 8.145 -3.013 1.00 0.73 C ATOM 561 CG ASN A 37 -2.699 8.201 -4.525 1.00 0.94 C ATOM 562 OD1 ASN A 37 -2.842 7.062 -5.202 1.00 1.58 O flip ATOM 563 ND2 ASN A 37 -2.786 9.279 -5.099 1.00 1.92 N flip ATOM 0 H ASN A 37 -1.740 5.534 -2.224 1.00 0.60 H new ATOM 0 HA ASN A 37 -0.367 8.006 -3.132 1.00 0.72 H new ATOM 0 HB2 ASN A 37 -3.303 7.599 -2.558 1.00 0.73 H new ATOM 0 HB3 ASN A 37 -2.509 9.160 -2.617 1.00 0.73 H new ATOM 0 HD21 ASN A 37 -2.675 10.147 -4.574 1.00 1.92 H new ATOM 0 HD22 ASN A 37 -2.969 9.309 -6.102 1.00 1.92 H new ATOM 570 N PHE A 38 0.185 7.044 -0.598 1.00 1.17 N ATOM 571 CA PHE A 38 0.621 7.234 0.777 1.00 1.34 C ATOM 572 C PHE A 38 1.006 8.698 0.956 1.00 1.54 C ATOM 573 O PHE A 38 1.678 9.263 0.096 1.00 2.33 O ATOM 574 CB PHE A 38 1.830 6.356 1.112 1.00 1.76 C ATOM 575 CG PHE A 38 1.540 4.878 1.254 1.00 1.80 C ATOM 576 CD1 PHE A 38 1.496 4.049 0.122 1.00 2.09 C ATOM 577 CD2 PHE A 38 1.388 4.314 2.532 1.00 2.80 C ATOM 578 CE1 PHE A 38 1.182 2.686 0.258 1.00 2.47 C ATOM 579 CE2 PHE A 38 1.107 2.945 2.667 1.00 3.08 C ATOM 580 CZ PHE A 38 0.942 2.143 1.528 1.00 2.58 C ATOM 0 H PHE A 38 0.802 6.451 -1.154 1.00 1.17 H new ATOM 0 HA PHE A 38 -0.193 6.953 1.445 1.00 1.34 H new ATOM 0 HB2 PHE A 38 2.581 6.488 0.333 1.00 1.76 H new ATOM 0 HB3 PHE A 38 2.270 6.714 2.043 1.00 1.76 H new ATOM 0 HD1 PHE A 38 1.704 4.459 -0.855 1.00 2.09 H new ATOM 0 HD2 PHE A 38 1.487 4.934 3.411 1.00 2.80 H new ATOM 0 HE1 PHE A 38 1.125 2.056 -0.617 1.00 2.47 H new ATOM 0 HE2 PHE A 38 1.018 2.508 3.651 1.00 3.08 H new ATOM 0 HZ PHE A 38 0.632 1.113 1.629 1.00 2.58 H new ATOM 590 N GLY A 39 0.601 9.296 2.075 1.00 1.94 N ATOM 591 CA GLY A 39 0.940 10.669 2.398 1.00 2.13 C ATOM 592 C GLY A 39 -0.151 11.272 3.274 1.00 2.17 C ATOM 593 O GLY A 39 0.115 11.773 4.361 1.00 3.00 O ATOM 0 H GLY A 39 0.027 8.835 2.781 1.00 1.94 H new ATOM 0 HA2 GLY A 39 1.898 10.705 2.916 1.00 2.13 H new ATOM 0 HA3 GLY A 39 1.050 11.252 1.484 1.00 2.13 H new ATOM 597 N ALA A 40 -1.386 11.199 2.773 1.00 1.58 N ATOM 598 CA ALA A 40 -2.605 11.632 3.446 1.00 1.43 C ATOM 599 C ALA A 40 -3.777 11.257 2.540 1.00 0.85 C ATOM 600 O ALA A 40 -4.545 12.121 2.116 1.00 1.47 O ATOM 601 CB ALA A 40 -2.569 13.147 3.704 1.00 2.16 C ATOM 0 H ALA A 40 -1.568 10.818 1.844 1.00 1.58 H new ATOM 0 HA ALA A 40 -2.706 11.147 4.417 1.00 1.43 H new ATOM 0 HB1 ALA A 40 -3.487 13.452 4.207 1.00 2.16 H new ATOM 0 HB2 ALA A 40 -1.713 13.389 4.334 1.00 2.16 H new ATOM 0 HB3 ALA A 40 -2.482 13.676 2.755 1.00 2.16 H new ATOM 607 N SER A 41 -3.856 9.985 2.138 1.00 0.63 N ATOM 608 CA SER A 41 -4.841 9.524 1.174 1.00 0.98 C ATOM 609 C SER A 41 -5.086 8.020 1.307 1.00 0.55 C ATOM 610 O SER A 41 -5.793 7.577 2.214 1.00 0.48 O ATOM 611 CB SER A 41 -4.461 9.987 -0.245 1.00 2.03 C ATOM 612 OG SER A 41 -4.879 11.317 -0.473 1.00 2.48 O ATOM 0 H SER A 41 -3.235 9.250 2.476 1.00 0.63 H new ATOM 0 HA SER A 41 -5.805 9.985 1.390 1.00 0.98 H new ATOM 0 HB2 SER A 41 -3.382 9.913 -0.378 1.00 2.03 H new ATOM 0 HB3 SER A 41 -4.919 9.327 -0.982 1.00 2.03 H new ATOM 0 HG SER A 41 -4.855 11.816 0.370 1.00 2.48 H new ATOM 618 N LYS A 42 -4.588 7.232 0.356 1.00 0.50 N ATOM 619 CA LYS A 42 -5.078 5.880 0.159 1.00 0.34 C ATOM 620 C LYS A 42 -4.072 4.986 -0.529 1.00 0.45 C ATOM 621 O LYS A 42 -3.048 5.442 -1.029 1.00 0.76 O ATOM 622 CB LYS A 42 -6.443 5.899 -0.564 1.00 0.65 C ATOM 623 CG LYS A 42 -6.471 6.522 -1.975 1.00 1.09 C ATOM 624 CD LYS A 42 -5.718 5.708 -3.043 1.00 3.32 C ATOM 625 CE LYS A 42 -6.047 6.190 -4.465 1.00 4.43 C ATOM 626 NZ LYS A 42 -5.428 5.333 -5.499 1.00 6.53 N ATOM 0 H LYS A 42 -3.847 7.511 -0.287 1.00 0.50 H new ATOM 0 HA LYS A 42 -5.228 5.439 1.145 1.00 0.34 H new ATOM 0 HB2 LYS A 42 -6.803 4.873 -0.638 1.00 0.65 H new ATOM 0 HB3 LYS A 42 -7.152 6.441 0.062 1.00 0.65 H new ATOM 0 HG2 LYS A 42 -7.509 6.637 -2.288 1.00 1.09 H new ATOM 0 HG3 LYS A 42 -6.040 7.522 -1.926 1.00 1.09 H new ATOM 0 HD2 LYS A 42 -4.645 5.788 -2.871 1.00 3.32 H new ATOM 0 HD3 LYS A 42 -5.978 4.654 -2.947 1.00 3.32 H new ATOM 0 HE2 LYS A 42 -7.128 6.200 -4.603 1.00 4.43 H new ATOM 0 HE3 LYS A 42 -5.700 7.216 -4.589 1.00 4.43 H new ATOM 0 HZ1 LYS A 42 -5.560 5.767 -6.435 1.00 6.53 H new ATOM 0 HZ2 LYS A 42 -4.411 5.233 -5.304 1.00 6.53 H new ATOM 0 HZ3 LYS A 42 -5.877 4.395 -5.486 1.00 6.53 H new ATOM 640 N ILE A 43 -4.411 3.705 -0.592 1.00 0.24 N ATOM 641 CA ILE A 43 -3.643 2.696 -1.289 1.00 0.25 C ATOM 642 C ILE A 43 -4.649 1.788 -2.000 1.00 0.21 C ATOM 643 O ILE A 43 -5.465 1.133 -1.351 1.00 0.20 O ATOM 644 CB ILE A 43 -2.668 2.047 -0.283 1.00 0.28 C ATOM 645 CG1 ILE A 43 -1.684 1.009 -0.848 1.00 0.38 C ATOM 646 CG2 ILE A 43 -3.369 1.518 0.968 1.00 0.27 C ATOM 647 CD1 ILE A 43 -2.315 -0.240 -1.457 1.00 0.71 C ATOM 0 H ILE A 43 -5.251 3.335 -0.146 1.00 0.24 H new ATOM 0 HA ILE A 43 -2.988 3.068 -2.076 1.00 0.25 H new ATOM 0 HB ILE A 43 -2.036 2.890 -0.002 1.00 0.28 H new ATOM 0 HG12 ILE A 43 -1.072 1.493 -1.610 1.00 0.38 H new ATOM 0 HG13 ILE A 43 -1.011 0.700 -0.048 1.00 0.38 H new ATOM 0 HG21 ILE A 43 -2.632 1.073 1.637 1.00 0.27 H new ATOM 0 HG22 ILE A 43 -3.873 2.339 1.477 1.00 0.27 H new ATOM 0 HG23 ILE A 43 -4.102 0.763 0.683 1.00 0.27 H new ATOM 0 HD11 ILE A 43 -1.531 -0.902 -1.824 1.00 0.71 H new ATOM 0 HD12 ILE A 43 -2.902 -0.758 -0.698 1.00 0.71 H new ATOM 0 HD13 ILE A 43 -2.964 0.047 -2.285 1.00 0.71 H new ATOM 659 N THR A 44 -4.660 1.828 -3.342 1.00 0.23 N ATOM 660 CA THR A 44 -5.476 0.942 -4.164 1.00 0.26 C ATOM 661 C THR A 44 -4.642 -0.270 -4.526 1.00 0.25 C ATOM 662 O THR A 44 -3.488 -0.095 -4.907 1.00 0.29 O ATOM 663 CB THR A 44 -5.928 1.662 -5.441 1.00 0.35 C ATOM 664 OG1 THR A 44 -6.475 2.903 -5.073 1.00 0.53 O ATOM 665 CG2 THR A 44 -6.939 0.850 -6.257 1.00 0.50 C ATOM 0 H THR A 44 -4.096 2.483 -3.884 1.00 0.23 H new ATOM 0 HA THR A 44 -6.365 0.640 -3.610 1.00 0.26 H new ATOM 0 HB THR A 44 -5.060 1.796 -6.087 1.00 0.35 H new ATOM 0 HG1 THR A 44 -7.164 3.161 -5.720 1.00 0.53 H new ATOM 0 HG21 THR A 44 -7.221 1.411 -7.148 1.00 0.50 H new ATOM 0 HG22 THR A 44 -6.490 -0.099 -6.552 1.00 0.50 H new ATOM 0 HG23 THR A 44 -7.826 0.659 -5.652 1.00 0.50 H new ATOM 673 N VAL A 45 -5.234 -1.456 -4.429 1.00 0.27 N ATOM 674 CA VAL A 45 -4.676 -2.728 -4.841 1.00 0.29 C ATOM 675 C VAL A 45 -5.660 -3.340 -5.835 1.00 0.30 C ATOM 676 O VAL A 45 -6.877 -3.197 -5.701 1.00 0.33 O ATOM 677 CB VAL A 45 -4.472 -3.598 -3.583 1.00 0.35 C ATOM 678 CG1 VAL A 45 -4.713 -5.099 -3.783 1.00 0.45 C ATOM 679 CG2 VAL A 45 -3.054 -3.391 -3.049 1.00 0.74 C ATOM 0 H VAL A 45 -6.171 -1.555 -4.037 1.00 0.27 H new ATOM 0 HA VAL A 45 -3.705 -2.634 -5.326 1.00 0.29 H new ATOM 0 HB VAL A 45 -5.230 -3.265 -2.874 1.00 0.35 H new ATOM 0 HG11 VAL A 45 -4.544 -5.623 -2.842 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -5.740 -5.262 -4.110 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -4.026 -5.480 -4.539 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -2.907 -4.004 -2.160 1.00 0.74 H new ATOM 0 HG22 VAL A 45 -2.332 -3.680 -3.813 1.00 0.74 H new ATOM 0 HG23 VAL A 45 -2.911 -2.341 -2.793 1.00 0.74 H new ATOM 689 N THR A 46 -5.140 -3.998 -6.864 1.00 0.33 N ATOM 690 CA THR A 46 -5.897 -4.708 -7.869 1.00 0.39 C ATOM 691 C THR A 46 -5.064 -5.879 -8.299 1.00 0.42 C ATOM 692 O THR A 46 -3.861 -5.758 -8.498 1.00 0.72 O ATOM 693 CB THR A 46 -6.209 -3.799 -9.063 1.00 0.46 C ATOM 694 OG1 THR A 46 -6.965 -2.756 -8.522 1.00 0.48 O ATOM 695 CG2 THR A 46 -7.035 -4.512 -10.139 1.00 0.60 C ATOM 0 H THR A 46 -4.133 -4.049 -7.021 1.00 0.33 H new ATOM 0 HA THR A 46 -6.853 -5.040 -7.465 1.00 0.39 H new ATOM 0 HB THR A 46 -5.290 -3.472 -9.550 1.00 0.46 H new ATOM 0 HG1 THR A 46 -7.205 -2.124 -9.231 1.00 0.48 H new ATOM 0 HG21 THR A 46 -7.229 -3.825 -10.963 1.00 0.60 H new ATOM 0 HG22 THR A 46 -6.483 -5.376 -10.509 1.00 0.60 H new ATOM 0 HG23 THR A 46 -7.982 -4.843 -9.711 1.00 0.60 H new ATOM 703 N GLY A 47 -5.711 -7.015 -8.439 1.00 0.39 N ATOM 704 CA GLY A 47 -5.063 -8.179 -8.983 1.00 0.42 C ATOM 705 C GLY A 47 -5.737 -9.381 -8.333 1.00 0.43 C ATOM 706 O GLY A 47 -6.817 -9.789 -8.743 1.00 0.53 O ATOM 0 H GLY A 47 -6.688 -7.154 -8.182 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -5.168 -8.212 -10.067 1.00 0.42 H new ATOM 0 HA3 GLY A 47 -3.995 -8.167 -8.767 1.00 0.42 H new ATOM 710 N GLU A 48 -5.128 -9.863 -7.250 1.00 0.42 N ATOM 711 CA GLU A 48 -5.629 -10.917 -6.378 1.00 0.47 C ATOM 712 C GLU A 48 -4.821 -10.908 -5.065 1.00 0.58 C ATOM 713 O GLU A 48 -4.214 -11.907 -4.681 1.00 0.76 O ATOM 714 CB GLU A 48 -5.570 -12.273 -7.113 1.00 0.52 C ATOM 715 CG GLU A 48 -6.519 -13.310 -6.495 1.00 0.72 C ATOM 716 CD GLU A 48 -6.439 -14.648 -7.221 1.00 1.40 C ATOM 717 OE1 GLU A 48 -6.624 -14.639 -8.456 1.00 2.35 O ATOM 718 OE2 GLU A 48 -6.203 -15.659 -6.525 1.00 2.50 O ATOM 0 H GLU A 48 -4.223 -9.507 -6.944 1.00 0.42 H new ATOM 0 HA GLU A 48 -6.674 -10.745 -6.121 1.00 0.47 H new ATOM 0 HB2 GLU A 48 -5.828 -12.127 -8.162 1.00 0.52 H new ATOM 0 HB3 GLU A 48 -4.550 -12.655 -7.085 1.00 0.52 H new ATOM 0 HG2 GLU A 48 -6.270 -13.451 -5.443 1.00 0.72 H new ATOM 0 HG3 GLU A 48 -7.542 -12.936 -6.533 1.00 0.72 H new ATOM 725 N ALA A 49 -4.785 -9.766 -4.366 1.00 0.50 N ATOM 726 CA ALA A 49 -4.178 -9.656 -3.042 1.00 0.53 C ATOM 727 C ALA A 49 -4.964 -8.685 -2.159 1.00 0.38 C ATOM 728 O ALA A 49 -5.851 -7.986 -2.645 1.00 0.33 O ATOM 729 CB ALA A 49 -2.717 -9.215 -3.180 1.00 0.65 C ATOM 0 H ALA A 49 -5.180 -8.890 -4.709 1.00 0.50 H new ATOM 0 HA ALA A 49 -4.206 -10.633 -2.559 1.00 0.53 H new ATOM 0 HB1 ALA A 49 -2.267 -9.134 -2.191 1.00 0.65 H new ATOM 0 HB2 ALA A 49 -2.169 -9.950 -3.769 1.00 0.65 H new ATOM 0 HB3 ALA A 49 -2.675 -8.247 -3.679 1.00 0.65 H new ATOM 735 N SER A 50 -4.627 -8.643 -0.866 1.00 0.41 N ATOM 736 CA SER A 50 -5.262 -7.807 0.145 1.00 0.36 C ATOM 737 C SER A 50 -4.207 -7.033 0.932 1.00 0.29 C ATOM 738 O SER A 50 -3.040 -7.436 0.943 1.00 0.32 O ATOM 739 CB SER A 50 -6.064 -8.689 1.104 1.00 0.44 C ATOM 740 OG SER A 50 -7.109 -9.341 0.410 1.00 0.69 O ATOM 0 H SER A 50 -3.874 -9.215 -0.485 1.00 0.41 H new ATOM 0 HA SER A 50 -5.926 -7.098 -0.349 1.00 0.36 H new ATOM 0 HB2 SER A 50 -5.408 -9.427 1.565 1.00 0.44 H new ATOM 0 HB3 SER A 50 -6.476 -8.081 1.910 1.00 0.44 H new ATOM 0 HG SER A 50 -7.614 -9.904 1.033 1.00 0.69 H new ATOM 746 N ILE A 51 -4.610 -5.945 1.610 1.00 0.26 N ATOM 747 CA ILE A 51 -3.661 -5.054 2.249 1.00 0.26 C ATOM 748 C ILE A 51 -2.707 -5.773 3.182 1.00 0.23 C ATOM 749 O ILE A 51 -1.573 -5.347 3.255 1.00 0.29 O ATOM 750 CB ILE A 51 -4.328 -3.870 2.965 1.00 0.30 C ATOM 751 CG1 ILE A 51 -3.359 -2.701 3.048 1.00 0.43 C ATOM 752 CG2 ILE A 51 -4.817 -4.215 4.380 1.00 0.35 C ATOM 753 CD1 ILE A 51 -3.200 -1.962 1.713 1.00 1.71 C ATOM 0 H ILE A 51 -5.586 -5.673 1.722 1.00 0.26 H new ATOM 0 HA ILE A 51 -3.072 -4.646 1.427 1.00 0.26 H new ATOM 0 HB ILE A 51 -5.204 -3.606 2.372 1.00 0.30 H new ATOM 0 HG12 ILE A 51 -3.707 -2.000 3.806 1.00 0.43 H new ATOM 0 HG13 ILE A 51 -2.385 -3.065 3.374 1.00 0.43 H new ATOM 0 HG21 ILE A 51 -5.278 -3.336 4.830 1.00 0.35 H new ATOM 0 HG22 ILE A 51 -5.549 -5.021 4.326 1.00 0.35 H new ATOM 0 HG23 ILE A 51 -3.971 -4.534 4.990 1.00 0.35 H new ATOM 0 HD11 ILE A 51 -2.497 -1.138 1.835 1.00 1.71 H new ATOM 0 HD12 ILE A 51 -2.824 -2.652 0.958 1.00 1.71 H new ATOM 0 HD13 ILE A 51 -4.167 -1.570 1.397 1.00 1.71 H new ATOM 765 N GLN A 52 -3.126 -6.837 3.868 1.00 0.24 N ATOM 766 CA GLN A 52 -2.274 -7.628 4.759 1.00 0.28 C ATOM 767 C GLN A 52 -0.830 -7.728 4.240 1.00 0.27 C ATOM 768 O GLN A 52 0.128 -7.466 4.965 1.00 0.30 O ATOM 769 CB GLN A 52 -2.883 -9.029 4.898 1.00 0.35 C ATOM 770 CG GLN A 52 -4.266 -9.007 5.571 1.00 0.43 C ATOM 771 CD GLN A 52 -5.285 -9.832 4.788 1.00 2.43 C ATOM 772 OE1 GLN A 52 -5.005 -10.954 4.382 1.00 3.33 O ATOM 773 NE2 GLN A 52 -6.468 -9.279 4.535 1.00 3.63 N ATOM 0 H GLN A 52 -4.085 -7.180 3.819 1.00 0.24 H new ATOM 0 HA GLN A 52 -2.229 -7.131 5.728 1.00 0.28 H new ATOM 0 HB2 GLN A 52 -2.970 -9.483 3.911 1.00 0.35 H new ATOM 0 HB3 GLN A 52 -2.209 -9.658 5.480 1.00 0.35 H new ATOM 0 HG2 GLN A 52 -4.184 -9.397 6.586 1.00 0.43 H new ATOM 0 HG3 GLN A 52 -4.615 -7.978 5.652 1.00 0.43 H new ATOM 0 HE21 GLN A 52 -6.679 -8.344 4.883 1.00 3.63 H new ATOM 0 HE22 GLN A 52 -7.164 -9.790 3.993 1.00 3.63 H new ATOM 782 N GLN A 53 -0.686 -8.061 2.954 1.00 0.25 N ATOM 783 CA GLN A 53 0.615 -8.164 2.300 1.00 0.28 C ATOM 784 C GLN A 53 1.346 -6.807 2.295 1.00 0.26 C ATOM 785 O GLN A 53 2.517 -6.691 2.662 1.00 0.30 O ATOM 786 CB GLN A 53 0.391 -8.650 0.865 1.00 0.37 C ATOM 787 CG GLN A 53 -0.310 -10.016 0.772 1.00 0.53 C ATOM 788 CD GLN A 53 0.637 -11.142 0.364 1.00 1.02 C ATOM 789 OE1 GLN A 53 1.815 -11.136 0.700 1.00 2.42 O ATOM 790 NE2 GLN A 53 0.129 -12.125 -0.374 1.00 1.01 N ATOM 0 H GLN A 53 -1.473 -8.267 2.338 1.00 0.25 H new ATOM 0 HA GLN A 53 1.241 -8.869 2.847 1.00 0.28 H new ATOM 0 HB2 GLN A 53 -0.204 -7.910 0.330 1.00 0.37 H new ATOM 0 HB3 GLN A 53 1.354 -8.712 0.358 1.00 0.37 H new ATOM 0 HG2 GLN A 53 -0.757 -10.256 1.737 1.00 0.53 H new ATOM 0 HG3 GLN A 53 -1.124 -9.953 0.050 1.00 0.53 H new ATOM 0 HE21 GLN A 53 -0.855 -12.106 -0.640 1.00 1.01 H new ATOM 0 HE22 GLN A 53 0.724 -12.898 -0.674 1.00 1.01 H new ATOM 799 N VAL A 54 0.637 -5.767 1.862 1.00 0.24 N ATOM 800 CA VAL A 54 1.133 -4.403 1.769 1.00 0.23 C ATOM 801 C VAL A 54 1.492 -3.864 3.159 1.00 0.26 C ATOM 802 O VAL A 54 2.459 -3.128 3.319 1.00 0.28 O ATOM 803 CB VAL A 54 0.066 -3.510 1.113 1.00 0.23 C ATOM 804 CG1 VAL A 54 0.597 -2.082 0.921 1.00 0.26 C ATOM 805 CG2 VAL A 54 -0.453 -4.119 -0.200 1.00 0.26 C ATOM 0 H VAL A 54 -0.332 -5.858 1.556 1.00 0.24 H new ATOM 0 HA VAL A 54 2.035 -4.396 1.156 1.00 0.23 H new ATOM 0 HB VAL A 54 -0.789 -3.453 1.786 1.00 0.23 H new ATOM 0 HG11 VAL A 54 -0.173 -1.467 0.456 1.00 0.26 H new ATOM 0 HG12 VAL A 54 0.863 -1.659 1.890 1.00 0.26 H new ATOM 0 HG13 VAL A 54 1.479 -2.105 0.281 1.00 0.26 H new ATOM 0 HG21 VAL A 54 -1.205 -3.460 -0.634 1.00 0.26 H new ATOM 0 HG22 VAL A 54 0.375 -4.235 -0.899 1.00 0.26 H new ATOM 0 HG23 VAL A 54 -0.897 -5.094 0.002 1.00 0.26 H new ATOM 815 N GLU A 55 0.690 -4.202 4.165 1.00 0.31 N ATOM 816 CA GLU A 55 0.842 -3.794 5.539 1.00 0.36 C ATOM 817 C GLU A 55 2.102 -4.450 6.098 1.00 0.26 C ATOM 818 O GLU A 55 2.942 -3.777 6.692 1.00 0.25 O ATOM 819 CB GLU A 55 -0.426 -4.194 6.296 1.00 0.54 C ATOM 820 CG GLU A 55 -0.501 -3.477 7.639 1.00 0.63 C ATOM 821 CD GLU A 55 -1.827 -3.765 8.324 1.00 1.77 C ATOM 822 OE1 GLU A 55 -2.048 -4.953 8.643 1.00 2.30 O ATOM 823 OE2 GLU A 55 -2.601 -2.798 8.479 1.00 2.96 O ATOM 0 H GLU A 55 -0.124 -4.800 4.025 1.00 0.31 H new ATOM 0 HA GLU A 55 0.962 -2.716 5.641 1.00 0.36 H new ATOM 0 HB2 GLU A 55 -1.304 -3.950 5.698 1.00 0.54 H new ATOM 0 HB3 GLU A 55 -0.437 -5.273 6.453 1.00 0.54 H new ATOM 0 HG2 GLU A 55 0.322 -3.800 8.277 1.00 0.63 H new ATOM 0 HG3 GLU A 55 -0.387 -2.403 7.491 1.00 0.63 H new ATOM 830 N GLN A 56 2.264 -5.756 5.850 1.00 0.29 N ATOM 831 CA GLN A 56 3.486 -6.472 6.171 1.00 0.32 C ATOM 832 C GLN A 56 4.692 -5.735 5.584 1.00 0.29 C ATOM 833 O GLN A 56 5.615 -5.405 6.322 1.00 0.34 O ATOM 834 CB GLN A 56 3.385 -7.930 5.702 1.00 0.39 C ATOM 835 CG GLN A 56 4.608 -8.739 6.145 1.00 0.43 C ATOM 836 CD GLN A 56 4.478 -10.206 5.755 1.00 1.92 C ATOM 837 OE1 GLN A 56 5.148 -10.678 4.843 1.00 2.94 O ATOM 838 NE2 GLN A 56 3.618 -10.949 6.445 1.00 3.22 N ATOM 0 H GLN A 56 1.545 -6.339 5.420 1.00 0.29 H new ATOM 0 HA GLN A 56 3.628 -6.501 7.251 1.00 0.32 H new ATOM 0 HB2 GLN A 56 2.480 -8.383 6.106 1.00 0.39 H new ATOM 0 HB3 GLN A 56 3.299 -7.961 4.616 1.00 0.39 H new ATOM 0 HG2 GLN A 56 5.507 -8.319 5.693 1.00 0.43 H new ATOM 0 HG3 GLN A 56 4.727 -8.658 7.225 1.00 0.43 H new ATOM 0 HE21 GLN A 56 3.073 -10.531 7.199 1.00 3.22 H new ATOM 0 HE22 GLN A 56 3.503 -11.937 6.220 1.00 3.22 H new ATOM 847 N ALA A 57 4.678 -5.422 4.283 1.00 0.29 N ATOM 848 CA ALA A 57 5.697 -4.553 3.697 1.00 0.34 C ATOM 849 C ALA A 57 5.844 -3.257 4.509 1.00 0.31 C ATOM 850 O ALA A 57 6.944 -2.894 4.929 1.00 0.37 O ATOM 851 CB ALA A 57 5.366 -4.270 2.230 1.00 0.40 C ATOM 0 H ALA A 57 3.976 -5.756 3.623 1.00 0.29 H new ATOM 0 HA ALA A 57 6.659 -5.064 3.731 1.00 0.34 H new ATOM 0 HB1 ALA A 57 6.131 -3.622 1.803 1.00 0.40 H new ATOM 0 HB2 ALA A 57 5.335 -5.208 1.676 1.00 0.40 H new ATOM 0 HB3 ALA A 57 4.396 -3.778 2.164 1.00 0.40 H new ATOM 857 N GLY A 58 4.728 -2.575 4.771 1.00 0.26 N ATOM 858 CA GLY A 58 4.662 -1.323 5.489 1.00 0.26 C ATOM 859 C GLY A 58 5.232 -1.389 6.895 1.00 0.26 C ATOM 860 O GLY A 58 5.507 -0.338 7.473 1.00 0.27 O ATOM 0 H GLY A 58 3.810 -2.904 4.471 1.00 0.26 H new ATOM 0 HA2 GLY A 58 5.201 -0.563 4.924 1.00 0.26 H new ATOM 0 HA3 GLY A 58 3.622 -1.001 5.544 1.00 0.26 H new ATOM 864 N ALA A 59 5.466 -2.589 7.439 1.00 0.31 N ATOM 865 CA ALA A 59 6.232 -2.761 8.660 1.00 0.34 C ATOM 866 C ALA A 59 7.539 -1.966 8.628 1.00 0.35 C ATOM 867 O ALA A 59 8.010 -1.581 9.694 1.00 0.41 O ATOM 868 CB ALA A 59 6.505 -4.242 8.926 1.00 0.42 C ATOM 0 H ALA A 59 5.126 -3.463 7.038 1.00 0.31 H new ATOM 0 HA ALA A 59 5.631 -2.368 9.479 1.00 0.34 H new ATOM 0 HB1 ALA A 59 7.080 -4.346 9.846 1.00 0.42 H new ATOM 0 HB2 ALA A 59 5.559 -4.774 9.027 1.00 0.42 H new ATOM 0 HB3 ALA A 59 7.071 -4.663 8.095 1.00 0.42 H new ATOM 874 N PHE A 60 8.105 -1.671 7.445 1.00 0.34 N ATOM 875 CA PHE A 60 9.278 -0.803 7.357 1.00 0.37 C ATOM 876 C PHE A 60 9.101 0.537 8.093 1.00 0.37 C ATOM 877 O PHE A 60 10.090 1.073 8.587 1.00 0.42 O ATOM 878 CB PHE A 60 9.788 -0.638 5.911 1.00 0.41 C ATOM 879 CG PHE A 60 8.986 0.234 4.951 1.00 0.38 C ATOM 880 CD1 PHE A 60 9.080 1.639 5.027 1.00 1.95 C ATOM 881 CD2 PHE A 60 8.331 -0.346 3.846 1.00 1.81 C ATOM 882 CE1 PHE A 60 8.444 2.450 4.067 1.00 2.03 C ATOM 883 CE2 PHE A 60 7.687 0.461 2.892 1.00 1.79 C ATOM 884 CZ PHE A 60 7.759 1.860 2.990 1.00 0.59 C ATOM 0 H PHE A 60 7.768 -2.020 6.548 1.00 0.34 H new ATOM 0 HA PHE A 60 10.071 -1.322 7.896 1.00 0.37 H new ATOM 0 HB2 PHE A 60 10.799 -0.233 5.960 1.00 0.41 H new ATOM 0 HB3 PHE A 60 9.864 -1.632 5.471 1.00 0.41 H new ATOM 0 HD1 PHE A 60 9.644 2.096 5.827 1.00 1.95 H new ATOM 0 HD2 PHE A 60 8.324 -1.420 3.731 1.00 1.81 H new ATOM 0 HE1 PHE A 60 8.482 3.525 4.158 1.00 2.03 H new ATOM 0 HE2 PHE A 60 7.136 0.005 2.083 1.00 1.79 H new ATOM 0 HZ PHE A 60 7.290 2.481 2.241 1.00 0.59 H new ATOM 894 N GLU A 61 7.874 1.077 8.161 1.00 0.37 N ATOM 895 CA GLU A 61 7.577 2.343 8.842 1.00 0.40 C ATOM 896 C GLU A 61 6.329 2.284 9.752 1.00 0.36 C ATOM 897 O GLU A 61 6.069 3.220 10.503 1.00 0.51 O ATOM 898 CB GLU A 61 7.531 3.450 7.778 1.00 0.51 C ATOM 899 CG GLU A 61 7.374 4.875 8.327 1.00 1.33 C ATOM 900 CD GLU A 61 7.518 5.933 7.238 1.00 1.32 C ATOM 901 OE1 GLU A 61 8.027 5.573 6.153 1.00 2.15 O ATOM 902 OE2 GLU A 61 7.101 7.078 7.507 1.00 2.31 O ATOM 0 H GLU A 61 7.053 0.641 7.740 1.00 0.37 H new ATOM 0 HA GLU A 61 8.372 2.568 9.553 1.00 0.40 H new ATOM 0 HB2 GLU A 61 8.446 3.403 7.188 1.00 0.51 H new ATOM 0 HB3 GLU A 61 6.703 3.246 7.099 1.00 0.51 H new ATOM 0 HG2 GLU A 61 6.397 4.974 8.800 1.00 1.33 H new ATOM 0 HG3 GLU A 61 8.122 5.049 9.101 1.00 1.33 H new ATOM 909 N HIS A 62 5.578 1.177 9.745 1.00 0.35 N ATOM 910 CA HIS A 62 4.459 0.909 10.645 1.00 0.43 C ATOM 911 C HIS A 62 3.227 1.749 10.263 1.00 0.42 C ATOM 912 O HIS A 62 2.723 2.556 11.057 1.00 0.51 O ATOM 913 CB HIS A 62 4.856 1.076 12.128 1.00 0.48 C ATOM 914 CG HIS A 62 6.233 0.596 12.534 1.00 0.50 C ATOM 915 ND1 HIS A 62 7.023 -0.347 11.910 1.00 0.51 N ATOM 916 CD2 HIS A 62 6.954 1.085 13.592 1.00 0.69 C ATOM 917 CE1 HIS A 62 8.181 -0.424 12.586 1.00 0.70 C ATOM 918 NE2 HIS A 62 8.185 0.426 13.624 1.00 0.82 N ATOM 0 H HIS A 62 5.742 0.416 9.086 1.00 0.35 H new ATOM 0 HA HIS A 62 4.181 -0.138 10.525 1.00 0.43 H new ATOM 0 HB2 HIS A 62 4.779 2.133 12.381 1.00 0.48 H new ATOM 0 HB3 HIS A 62 4.121 0.548 12.736 1.00 0.48 H new ATOM 0 HD1 HIS A 62 6.773 -0.889 11.083 1.00 0.51 H new ATOM 0 HD2 HIS A 62 6.627 1.848 14.282 1.00 0.69 H new ATOM 0 HE1 HIS A 62 8.998 -1.081 12.329 1.00 0.70 H new ATOM 926 N LEU A 63 2.726 1.564 9.034 1.00 0.38 N ATOM 927 CA LEU A 63 1.547 2.294 8.577 1.00 0.40 C ATOM 928 C LEU A 63 0.270 1.646 9.124 1.00 0.43 C ATOM 929 O LEU A 63 0.307 0.512 9.592 1.00 0.56 O ATOM 930 CB LEU A 63 1.548 2.409 7.047 1.00 0.40 C ATOM 931 CG LEU A 63 2.532 3.459 6.506 1.00 0.45 C ATOM 932 CD1 LEU A 63 2.077 4.873 6.872 1.00 1.36 C ATOM 933 CD2 LEU A 63 3.988 3.260 6.948 1.00 1.20 C ATOM 0 H LEU A 63 3.118 0.920 8.347 1.00 0.38 H new ATOM 0 HA LEU A 63 1.577 3.310 8.969 1.00 0.40 H new ATOM 0 HB2 LEU A 63 1.795 1.438 6.619 1.00 0.40 H new ATOM 0 HB3 LEU A 63 0.542 2.659 6.710 1.00 0.40 H new ATOM 0 HG LEU A 63 2.518 3.322 5.425 1.00 0.45 H new ATOM 0 HD11 LEU A 63 2.789 5.598 6.478 1.00 1.36 H new ATOM 0 HD12 LEU A 63 1.093 5.061 6.443 1.00 1.36 H new ATOM 0 HD13 LEU A 63 2.024 4.969 7.956 1.00 1.36 H new ATOM 0 HD21 LEU A 63 4.609 4.046 6.519 1.00 1.20 H new ATOM 0 HD22 LEU A 63 4.047 3.304 8.036 1.00 1.20 H new ATOM 0 HD23 LEU A 63 4.343 2.289 6.604 1.00 1.20 H new ATOM 945 N LYS A 64 -0.846 2.389 9.113 1.00 0.40 N ATOM 946 CA LYS A 64 -2.086 2.003 9.780 1.00 0.39 C ATOM 947 C LYS A 64 -3.202 2.071 8.747 1.00 0.45 C ATOM 948 O LYS A 64 -4.019 2.988 8.726 1.00 0.99 O ATOM 949 CB LYS A 64 -2.347 2.849 11.040 1.00 0.49 C ATOM 950 CG LYS A 64 -2.211 4.368 10.854 1.00 0.63 C ATOM 951 CD LYS A 64 -0.761 4.857 10.964 1.00 1.87 C ATOM 952 CE LYS A 64 -0.289 5.051 12.410 1.00 2.74 C ATOM 953 NZ LYS A 64 1.183 5.196 12.482 1.00 4.47 N ATOM 0 H LYS A 64 -0.908 3.286 8.632 1.00 0.40 H new ATOM 0 HA LYS A 64 -2.023 0.982 10.157 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -3.353 2.633 11.400 1.00 0.49 H new ATOM 0 HB3 LYS A 64 -1.654 2.532 11.820 1.00 0.49 H new ATOM 0 HG2 LYS A 64 -2.610 4.646 9.878 1.00 0.63 H new ATOM 0 HG3 LYS A 64 -2.818 4.876 11.603 1.00 0.63 H new ATOM 0 HD2 LYS A 64 -0.106 4.140 10.469 1.00 1.87 H new ATOM 0 HD3 LYS A 64 -0.663 5.801 10.428 1.00 1.87 H new ATOM 0 HE2 LYS A 64 -0.765 5.935 12.834 1.00 2.74 H new ATOM 0 HE3 LYS A 64 -0.602 4.200 13.014 1.00 2.74 H new ATOM 0 HZ1 LYS A 64 1.477 5.258 13.478 1.00 4.47 H new ATOM 0 HZ2 LYS A 64 1.635 4.372 12.038 1.00 4.47 H new ATOM 0 HZ3 LYS A 64 1.472 6.061 11.982 1.00 4.47 H new ATOM 967 N ILE A 65 -3.166 1.101 7.843 1.00 0.25 N ATOM 968 CA ILE A 65 -4.028 1.056 6.672 1.00 0.24 C ATOM 969 C ILE A 65 -5.390 0.474 7.069 1.00 0.28 C ATOM 970 O ILE A 65 -5.443 -0.512 7.800 1.00 0.47 O ATOM 971 CB ILE A 65 -3.372 0.244 5.534 1.00 0.30 C ATOM 972 CG1 ILE A 65 -1.844 0.418 5.504 1.00 0.33 C ATOM 973 CG2 ILE A 65 -4.055 0.624 4.220 1.00 0.38 C ATOM 974 CD1 ILE A 65 -1.121 0.046 4.211 1.00 0.51 C ATOM 0 H ILE A 65 -2.525 0.310 7.905 1.00 0.25 H new ATOM 0 HA ILE A 65 -4.177 2.067 6.294 1.00 0.24 H new ATOM 0 HB ILE A 65 -3.518 -0.823 5.705 1.00 0.30 H new ATOM 0 HG12 ILE A 65 -1.619 1.461 5.728 1.00 0.33 H new ATOM 0 HG13 ILE A 65 -1.421 -0.180 6.311 1.00 0.33 H new ATOM 0 HG21 ILE A 65 -3.607 0.061 3.401 1.00 0.38 H new ATOM 0 HG22 ILE A 65 -5.118 0.390 4.282 1.00 0.38 H new ATOM 0 HG23 ILE A 65 -3.928 1.691 4.039 1.00 0.38 H new ATOM 0 HD11 ILE A 65 -0.051 0.218 4.330 1.00 0.51 H new ATOM 0 HD12 ILE A 65 -1.297 -1.006 3.985 1.00 0.51 H new ATOM 0 HD13 ILE A 65 -1.498 0.660 3.393 1.00 0.51 H new ATOM 986 N ILE A 66 -6.493 1.079 6.612 1.00 0.32 N ATOM 987 CA ILE A 66 -7.849 0.687 6.994 1.00 0.35 C ATOM 988 C ILE A 66 -8.687 0.384 5.744 1.00 0.31 C ATOM 989 O ILE A 66 -8.761 1.234 4.850 1.00 0.30 O ATOM 990 CB ILE A 66 -8.494 1.797 7.848 1.00 0.43 C ATOM 991 CG1 ILE A 66 -7.755 2.023 9.183 1.00 0.51 C ATOM 992 CG2 ILE A 66 -9.986 1.530 8.105 1.00 0.63 C ATOM 993 CD1 ILE A 66 -7.793 0.837 10.156 1.00 2.25 C ATOM 0 H ILE A 66 -6.465 1.863 5.960 1.00 0.32 H new ATOM 0 HA ILE A 66 -7.807 -0.222 7.594 1.00 0.35 H new ATOM 0 HB ILE A 66 -8.404 2.712 7.262 1.00 0.43 H new ATOM 0 HG12 ILE A 66 -6.714 2.264 8.968 1.00 0.51 H new ATOM 0 HG13 ILE A 66 -8.188 2.893 9.677 1.00 0.51 H new ATOM 0 HG21 ILE A 66 -10.401 2.336 8.710 1.00 0.63 H new ATOM 0 HG22 ILE A 66 -10.516 1.481 7.154 1.00 0.63 H new ATOM 0 HG23 ILE A 66 -10.100 0.584 8.634 1.00 0.63 H new ATOM 0 HD11 ILE A 66 -7.247 1.093 11.064 1.00 2.25 H new ATOM 0 HD12 ILE A 66 -8.828 0.606 10.408 1.00 2.25 H new ATOM 0 HD13 ILE A 66 -7.331 -0.032 9.688 1.00 2.25 H new ATOM 1005 N PRO A 67 -9.339 -0.795 5.663 1.00 0.35 N ATOM 1006 CA PRO A 67 -10.250 -1.120 4.580 1.00 0.42 C ATOM 1007 C PRO A 67 -11.522 -0.285 4.696 1.00 0.50 C ATOM 1008 O PRO A 67 -12.398 -0.562 5.507 1.00 0.65 O ATOM 1009 CB PRO A 67 -10.545 -2.619 4.703 1.00 0.54 C ATOM 1010 CG PRO A 67 -10.359 -2.893 6.192 1.00 0.52 C ATOM 1011 CD PRO A 67 -9.268 -1.905 6.607 1.00 0.42 C ATOM 0 HA PRO A 67 -9.819 -0.896 3.604 1.00 0.42 H new ATOM 0 HB2 PRO A 67 -11.556 -2.858 4.373 1.00 0.54 H new ATOM 0 HB3 PRO A 67 -9.863 -3.214 4.096 1.00 0.54 H new ATOM 0 HG2 PRO A 67 -11.282 -2.728 6.748 1.00 0.52 H new ATOM 0 HG3 PRO A 67 -10.057 -3.924 6.375 1.00 0.52 H new ATOM 0 HD2 PRO A 67 -9.426 -1.558 7.628 1.00 0.42 H new ATOM 0 HD3 PRO A 67 -8.286 -2.377 6.579 1.00 0.42 H new ATOM 1019 N GLU A 68 -11.614 0.741 3.853 1.00 0.63 N ATOM 1020 CA GLU A 68 -12.782 1.557 3.643 1.00 0.83 C ATOM 1021 C GLU A 68 -13.982 0.687 3.260 1.00 1.17 C ATOM 1022 O GLU A 68 -15.024 0.723 3.910 1.00 2.09 O ATOM 1023 CB GLU A 68 -12.349 2.512 2.535 1.00 1.20 C ATOM 1024 CG GLU A 68 -13.417 3.518 2.130 1.00 2.37 C ATOM 1025 CD GLU A 68 -13.855 3.283 0.692 1.00 3.50 C ATOM 1026 OE1 GLU A 68 -12.964 3.451 -0.171 1.00 3.80 O ATOM 1027 OE2 GLU A 68 -15.028 2.916 0.481 1.00 4.82 O ATOM 0 H GLU A 68 -10.827 1.031 3.272 1.00 0.63 H new ATOM 0 HA GLU A 68 -13.113 2.099 4.528 1.00 0.83 H new ATOM 0 HB2 GLU A 68 -11.461 3.053 2.862 1.00 1.20 H new ATOM 0 HB3 GLU A 68 -12.063 1.930 1.659 1.00 1.20 H new ATOM 0 HG2 GLU A 68 -14.276 3.433 2.796 1.00 2.37 H new ATOM 0 HG3 GLU A 68 -13.029 4.531 2.237 1.00 2.37 H new ATOM 1034 N LYS A 69 -13.820 -0.109 2.201 1.00 2.43 N ATOM 1035 CA LYS A 69 -14.818 -1.082 1.798 1.00 2.90 C ATOM 1036 C LYS A 69 -14.813 -2.245 2.788 1.00 4.19 C ATOM 1037 O LYS A 69 -13.834 -2.986 2.857 1.00 5.76 O ATOM 1038 CB LYS A 69 -14.537 -1.540 0.360 1.00 4.76 C ATOM 1039 CG LYS A 69 -15.113 -0.517 -0.628 1.00 5.65 C ATOM 1040 CD LYS A 69 -16.611 -0.798 -0.832 1.00 5.92 C ATOM 1041 CE LYS A 69 -17.358 0.461 -1.286 1.00 7.18 C ATOM 1042 NZ LYS A 69 -18.804 0.194 -1.432 1.00 7.33 N ATOM 0 H LYS A 69 -12.993 -0.092 1.605 1.00 2.43 H new ATOM 0 HA LYS A 69 -15.814 -0.639 1.810 1.00 2.90 H new ATOM 0 HB2 LYS A 69 -13.463 -1.646 0.205 1.00 4.76 H new ATOM 0 HB3 LYS A 69 -14.983 -2.519 0.186 1.00 4.76 H new ATOM 0 HG2 LYS A 69 -14.969 0.494 -0.248 1.00 5.65 H new ATOM 0 HG3 LYS A 69 -14.587 -0.577 -1.581 1.00 5.65 H new ATOM 0 HD2 LYS A 69 -16.737 -1.586 -1.575 1.00 5.92 H new ATOM 0 HD3 LYS A 69 -17.044 -1.165 0.099 1.00 5.92 H new ATOM 0 HE2 LYS A 69 -17.203 1.261 -0.562 1.00 7.18 H new ATOM 0 HE3 LYS A 69 -16.951 0.807 -2.236 1.00 7.18 H new ATOM 0 HZ1 LYS A 69 -19.288 1.061 -1.740 1.00 7.33 H new ATOM 0 HZ2 LYS A 69 -18.949 -0.554 -2.140 1.00 7.33 H new ATOM 0 HZ3 LYS A 69 -19.194 -0.114 -0.518 1.00 7.33 H new ATOM 1056 N GLU A 70 -15.909 -2.380 3.538 1.00 4.46 N ATOM 1057 CA GLU A 70 -16.115 -3.399 4.558 1.00 6.53 C ATOM 1058 C GLU A 70 -17.266 -4.305 4.104 1.00 7.24 C ATOM 1059 O GLU A 70 -17.085 -5.510 3.929 1.00 8.21 O ATOM 1060 CB GLU A 70 -16.367 -2.682 5.897 1.00 7.17 C ATOM 1061 CG GLU A 70 -16.103 -3.557 7.131 1.00 9.21 C ATOM 1062 CD GLU A 70 -17.250 -4.512 7.438 1.00 10.12 C ATOM 1063 OE1 GLU A 70 -18.372 -3.997 7.627 1.00 9.94 O ATOM 1064 OE2 GLU A 70 -16.976 -5.728 7.499 1.00 11.37 O ATOM 0 H GLU A 70 -16.708 -1.753 3.444 1.00 4.46 H new ATOM 0 HA GLU A 70 -15.248 -4.044 4.700 1.00 6.53 H new ATOM 0 HB2 GLU A 70 -15.733 -1.797 5.949 1.00 7.17 H new ATOM 0 HB3 GLU A 70 -17.400 -2.336 5.924 1.00 7.17 H new ATOM 0 HG2 GLU A 70 -15.191 -4.132 6.974 1.00 9.21 H new ATOM 0 HG3 GLU A 70 -15.930 -2.915 7.995 1.00 9.21 H new ATOM 1071 N ALA A 71 -18.419 -3.700 3.813 1.00 7.19 N ATOM 1072 CA ALA A 71 -19.551 -4.312 3.145 1.00 8.20 C ATOM 1073 C ALA A 71 -20.201 -3.207 2.305 1.00 8.06 C ATOM 1074 O ALA A 71 -21.242 -3.490 1.675 1.00 8.67 O ATOM 1075 CB ALA A 71 -20.505 -4.917 4.181 1.00 9.04 C ATOM 1076 OXT ALA A 71 -19.622 -2.092 2.290 1.00 7.91 O ATOM 0 H ALA A 71 -18.589 -2.723 4.052 1.00 7.19 H new ATOM 0 HA ALA A 71 -19.258 -5.137 2.496 1.00 8.20 H new ATOM 0 HB1 ALA A 71 -21.353 -5.375 3.671 1.00 9.04 H new ATOM 0 HB2 ALA A 71 -19.979 -5.674 4.762 1.00 9.04 H new ATOM 0 HB3 ALA A 71 -20.863 -4.133 4.848 1.00 9.04 H new TER 1082 ALA A 71