USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 58 SER OG : rot 151:sc= 1.07 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.988) USER MOD Single : A 2 SER OG : rot 29:sc= 0.199 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 141:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= -0.508 USER MOD Single : A 9 LYS NZ :NH3+ 126:sc= 0.587 (180deg=-1.53) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 13 MET CE :methyl -173:sc= -0.537 (180deg=-0.606) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.946 K(o=0.95,f=-5.3!) USER MOD Single : A 28 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.058) USER MOD Single : A 33 ASN : amide:sc= 0.106 X(o=0.11,f=-0.24) USER MOD Single : A 34 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.77) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.82) USER MOD Single : A 55 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.1 K(o=1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -0.569 -0.888 20.874 1.00 2.95 N ATOM 2 CA SER A 2 -1.176 -0.322 19.678 1.00 2.82 C ATOM 3 C SER A 2 -0.067 -0.194 18.626 1.00 1.57 C ATOM 4 O SER A 2 1.114 -0.282 18.976 1.00 2.52 O ATOM 5 CB SER A 2 -1.825 1.024 20.018 1.00 4.44 C ATOM 6 OG SER A 2 -2.712 0.861 21.109 1.00 5.74 O ATOM 0 HA SER A 2 -1.969 -0.956 19.282 1.00 2.82 H new ATOM 0 HB2 SER A 2 -1.057 1.757 20.267 1.00 4.44 H new ATOM 0 HB3 SER A 2 -2.364 1.408 19.152 1.00 4.44 H new ATOM 0 HG SER A 2 -2.403 0.123 21.675 1.00 5.74 H new ATOM 12 N GLY A 3 -0.443 -0.014 17.361 1.00 1.27 N ATOM 13 CA GLY A 3 0.448 -0.019 16.217 1.00 1.36 C ATOM 14 C GLY A 3 0.669 -1.453 15.735 1.00 1.14 C ATOM 15 O GLY A 3 0.960 -2.339 16.538 1.00 1.30 O ATOM 0 H GLY A 3 -1.417 0.145 17.102 1.00 1.27 H new ATOM 0 HA2 GLY A 3 0.025 0.583 15.413 1.00 1.36 H new ATOM 0 HA3 GLY A 3 1.402 0.434 16.486 1.00 1.36 H new ATOM 19 N THR A 4 0.569 -1.684 14.423 1.00 1.07 N ATOM 20 CA THR A 4 1.150 -2.840 13.746 1.00 1.05 C ATOM 21 C THR A 4 1.693 -2.311 12.435 1.00 1.01 C ATOM 22 O THR A 4 1.088 -1.401 11.884 1.00 1.35 O ATOM 23 CB THR A 4 0.108 -3.928 13.453 1.00 1.07 C ATOM 24 OG1 THR A 4 -0.640 -4.166 14.613 1.00 1.29 O ATOM 25 CG2 THR A 4 0.776 -5.242 13.033 1.00 1.24 C ATOM 0 H THR A 4 0.071 -1.057 13.791 1.00 1.07 H new ATOM 0 HA THR A 4 1.913 -3.299 14.376 1.00 1.05 H new ATOM 0 HB THR A 4 -0.527 -3.580 12.638 1.00 1.07 H new ATOM 0 HG1 THR A 4 -1.309 -4.859 14.434 1.00 1.29 H new ATOM 0 HG21 THR A 4 0.010 -5.992 12.833 1.00 1.24 H new ATOM 0 HG22 THR A 4 1.367 -5.078 12.132 1.00 1.24 H new ATOM 0 HG23 THR A 4 1.426 -5.592 13.835 1.00 1.24 H new ATOM 33 N ARG A 5 2.793 -2.876 11.944 1.00 0.72 N ATOM 34 CA ARG A 5 3.384 -2.496 10.675 1.00 0.67 C ATOM 35 C ARG A 5 3.149 -3.644 9.699 1.00 0.44 C ATOM 36 O ARG A 5 3.577 -4.766 9.953 1.00 0.48 O ATOM 37 CB ARG A 5 4.873 -2.188 10.906 1.00 0.87 C ATOM 38 CG ARG A 5 5.614 -1.772 9.630 1.00 0.90 C ATOM 39 CD ARG A 5 5.883 -2.973 8.705 1.00 0.59 C ATOM 40 NE ARG A 5 7.222 -3.013 8.099 1.00 1.27 N ATOM 41 CZ ARG A 5 8.336 -3.364 8.760 1.00 1.14 C ATOM 42 NH1 ARG A 5 8.310 -3.451 10.094 1.00 2.40 N ATOM 43 NH2 ARG A 5 9.460 -3.640 8.091 1.00 1.75 N ATOM 0 H ARG A 5 3.301 -3.618 12.426 1.00 0.72 H new ATOM 0 HA ARG A 5 2.936 -1.598 10.250 1.00 0.67 H new ATOM 0 HB2 ARG A 5 4.961 -1.391 11.645 1.00 0.87 H new ATOM 0 HB3 ARG A 5 5.357 -3.069 11.328 1.00 0.87 H new ATOM 0 HG2 ARG A 5 5.026 -1.026 9.095 1.00 0.90 H new ATOM 0 HG3 ARG A 5 6.560 -1.300 9.897 1.00 0.90 H new ATOM 0 HD2 ARG A 5 5.733 -3.890 9.275 1.00 0.59 H new ATOM 0 HD3 ARG A 5 5.141 -2.969 7.907 1.00 0.59 H new ATOM 0 HE ARG A 5 7.310 -2.758 7.115 1.00 1.27 H new ATOM 0 HH11 ARG A 5 7.448 -3.251 10.601 1.00 2.40 H new ATOM 0 HH12 ARG A 5 9.152 -3.717 10.604 1.00 2.40 H new ATOM 0 HH21 ARG A 5 9.474 -3.584 7.073 1.00 1.75 H new ATOM 0 HH22 ARG A 5 10.304 -3.906 8.599 1.00 1.75 H new ATOM 57 N TYR A 6 2.491 -3.374 8.579 1.00 0.39 N ATOM 58 CA TYR A 6 2.389 -4.298 7.450 1.00 0.30 C ATOM 59 C TYR A 6 3.214 -3.795 6.275 1.00 0.32 C ATOM 60 O TYR A 6 3.344 -2.582 6.143 1.00 0.55 O ATOM 61 CB TYR A 6 0.935 -4.365 7.018 1.00 0.38 C ATOM 62 CG TYR A 6 -0.027 -4.519 8.150 1.00 0.57 C ATOM 63 CD1 TYR A 6 0.170 -5.545 9.085 1.00 1.72 C ATOM 64 CD2 TYR A 6 -1.171 -3.713 8.194 1.00 2.02 C ATOM 65 CE1 TYR A 6 -0.767 -5.725 10.115 1.00 1.86 C ATOM 66 CE2 TYR A 6 -2.152 -3.970 9.156 1.00 2.11 C ATOM 67 CZ TYR A 6 -1.901 -4.895 10.183 1.00 1.18 C ATOM 68 OH TYR A 6 -2.825 -5.089 11.160 1.00 1.58 O ATOM 0 H TYR A 6 2.003 -2.492 8.424 1.00 0.39 H new ATOM 0 HA TYR A 6 2.758 -5.278 7.754 1.00 0.30 H new ATOM 0 HB2 TYR A 6 0.688 -3.458 6.465 1.00 0.38 H new ATOM 0 HB3 TYR A 6 0.809 -5.201 6.331 1.00 0.38 H new ATOM 0 HD1 TYR A 6 1.033 -6.190 9.014 1.00 1.72 H new ATOM 0 HD2 TYR A 6 -1.294 -2.901 7.492 1.00 2.02 H new ATOM 0 HE1 TYR A 6 -0.618 -6.499 10.853 1.00 1.86 H new ATOM 0 HE2 TYR A 6 -3.102 -3.458 9.110 1.00 2.11 H new ATOM 0 HH TYR A 6 -3.144 -4.221 11.485 1.00 1.58 H new ATOM 78 N SER A 7 3.746 -4.694 5.434 1.00 0.27 N ATOM 79 CA SER A 7 4.521 -4.341 4.242 1.00 0.26 C ATOM 80 C SER A 7 4.030 -5.115 3.012 1.00 0.18 C ATOM 81 O SER A 7 3.560 -6.245 3.141 1.00 0.20 O ATOM 82 CB SER A 7 6.012 -4.631 4.490 1.00 0.35 C ATOM 83 OG SER A 7 6.427 -4.198 5.777 1.00 1.80 O ATOM 0 H SER A 7 3.647 -5.700 5.567 1.00 0.27 H new ATOM 0 HA SER A 7 4.385 -3.278 4.045 1.00 0.26 H new ATOM 0 HB2 SER A 7 6.196 -5.701 4.390 1.00 0.35 H new ATOM 0 HB3 SER A 7 6.611 -4.132 3.728 1.00 0.35 H new ATOM 0 HG SER A 7 7.378 -4.400 5.899 1.00 1.80 H new ATOM 89 N TRP A 8 4.164 -4.504 1.829 1.00 0.15 N ATOM 90 CA TRP A 8 3.973 -5.137 0.531 1.00 0.17 C ATOM 91 C TRP A 8 5.149 -4.778 -0.368 1.00 0.20 C ATOM 92 O TRP A 8 5.609 -3.632 -0.352 1.00 0.22 O ATOM 93 CB TRP A 8 2.641 -4.723 -0.113 1.00 0.20 C ATOM 94 CG TRP A 8 1.474 -5.119 0.728 1.00 0.19 C ATOM 95 CD1 TRP A 8 1.003 -6.377 0.818 1.00 0.26 C ATOM 96 CD2 TRP A 8 0.755 -4.435 1.785 1.00 0.21 C ATOM 97 NE1 TRP A 8 0.324 -6.519 2.017 1.00 0.23 N ATOM 98 CE2 TRP A 8 0.521 -5.382 2.798 1.00 0.23 C ATOM 99 CE3 TRP A 8 0.240 -3.170 2.118 1.00 0.27 C ATOM 100 CZ2 TRP A 8 0.258 -4.865 4.091 1.00 0.29 C ATOM 101 CZ3 TRP A 8 -0.882 -3.192 2.987 1.00 0.31 C ATOM 102 CH2 TRP A 8 -0.698 -3.851 4.177 1.00 0.30 C ATOM 0 H TRP A 8 4.418 -3.519 1.753 1.00 0.15 H new ATOM 0 HA TRP A 8 3.931 -6.218 0.667 1.00 0.17 H new ATOM 0 HB2 TRP A 8 2.630 -3.644 -0.265 1.00 0.20 H new ATOM 0 HB3 TRP A 8 2.554 -5.184 -1.097 1.00 0.20 H new ATOM 0 HD1 TRP A 8 1.133 -7.150 0.075 1.00 0.26 H new ATOM 0 HE1 TRP A 8 -0.233 -7.330 2.286 1.00 0.23 H new ATOM 0 HE3 TRP A 8 0.666 -2.252 1.741 1.00 0.27 H new ATOM 0 HZ2 TRP A 8 0.771 -5.237 4.966 1.00 0.29 H new ATOM 0 HZ3 TRP A 8 -1.819 -2.721 2.729 1.00 0.31 H new ATOM 0 HH2 TRP A 8 -1.235 -3.611 5.083 1.00 0.30 H new ATOM 113 N LYS A 9 5.582 -5.754 -1.168 1.00 0.26 N ATOM 114 CA LYS A 9 6.581 -5.590 -2.209 1.00 0.31 C ATOM 115 C LYS A 9 5.803 -5.408 -3.497 1.00 0.35 C ATOM 116 O LYS A 9 4.803 -6.102 -3.688 1.00 0.51 O ATOM 117 CB LYS A 9 7.484 -6.830 -2.297 1.00 0.42 C ATOM 118 CG LYS A 9 6.743 -8.140 -2.625 1.00 0.78 C ATOM 119 CD LYS A 9 7.546 -9.432 -2.410 1.00 0.85 C ATOM 120 CE LYS A 9 8.959 -9.425 -3.008 1.00 1.05 C ATOM 121 NZ LYS A 9 9.911 -8.677 -2.160 1.00 2.22 N ATOM 0 H LYS A 9 5.231 -6.709 -1.102 1.00 0.26 H new ATOM 0 HA LYS A 9 7.233 -4.740 -2.007 1.00 0.31 H new ATOM 0 HB2 LYS A 9 8.244 -6.657 -3.059 1.00 0.42 H new ATOM 0 HB3 LYS A 9 8.006 -6.951 -1.348 1.00 0.42 H new ATOM 0 HG2 LYS A 9 5.842 -8.189 -2.014 1.00 0.78 H new ATOM 0 HG3 LYS A 9 6.421 -8.103 -3.666 1.00 0.78 H new ATOM 0 HD2 LYS A 9 7.622 -9.621 -1.339 1.00 0.85 H new ATOM 0 HD3 LYS A 9 6.989 -10.264 -2.842 1.00 0.85 H new ATOM 0 HE2 LYS A 9 9.308 -10.451 -3.128 1.00 1.05 H new ATOM 0 HE3 LYS A 9 8.931 -8.979 -4.002 1.00 1.05 H new ATOM 0 HZ1 LYS A 9 10.728 -9.281 -1.940 1.00 2.22 H new ATOM 0 HZ2 LYS A 9 10.234 -7.828 -2.667 1.00 2.22 H new ATOM 0 HZ3 LYS A 9 9.441 -8.395 -1.276 1.00 2.22 H new ATOM 135 N VAL A 10 6.231 -4.472 -4.341 1.00 0.51 N ATOM 136 CA VAL A 10 5.563 -4.177 -5.601 1.00 0.67 C ATOM 137 C VAL A 10 6.497 -4.409 -6.787 1.00 1.01 C ATOM 138 O VAL A 10 7.619 -4.881 -6.624 1.00 2.13 O ATOM 139 CB VAL A 10 4.893 -2.790 -5.555 1.00 0.80 C ATOM 140 CG1 VAL A 10 4.164 -2.564 -4.223 1.00 1.77 C ATOM 141 CG2 VAL A 10 5.860 -1.619 -5.749 1.00 2.45 C ATOM 0 H VAL A 10 7.055 -3.896 -4.167 1.00 0.51 H new ATOM 0 HA VAL A 10 4.744 -4.880 -5.754 1.00 0.67 H new ATOM 0 HB VAL A 10 4.196 -2.804 -6.393 1.00 0.80 H new ATOM 0 HG11 VAL A 10 3.703 -1.576 -4.224 1.00 1.77 H new ATOM 0 HG12 VAL A 10 3.393 -3.324 -4.096 1.00 1.77 H new ATOM 0 HG13 VAL A 10 4.878 -2.630 -3.402 1.00 1.77 H new ATOM 0 HG21 VAL A 10 5.308 -0.680 -5.703 1.00 2.45 H new ATOM 0 HG22 VAL A 10 6.614 -1.636 -4.962 1.00 2.45 H new ATOM 0 HG23 VAL A 10 6.347 -1.706 -6.720 1.00 2.45 H new ATOM 151 N SER A 11 6.020 -4.119 -7.999 1.00 0.50 N ATOM 152 CA SER A 11 6.861 -4.057 -9.191 1.00 0.53 C ATOM 153 C SER A 11 6.339 -2.941 -10.095 1.00 0.50 C ATOM 154 O SER A 11 6.231 -3.092 -11.308 1.00 1.18 O ATOM 155 CB SER A 11 6.906 -5.422 -9.887 1.00 0.78 C ATOM 156 OG SER A 11 7.200 -6.434 -8.941 1.00 2.23 O ATOM 0 H SER A 11 5.036 -3.920 -8.180 1.00 0.50 H new ATOM 0 HA SER A 11 7.892 -3.822 -8.925 1.00 0.53 H new ATOM 0 HB2 SER A 11 5.949 -5.627 -10.367 1.00 0.78 H new ATOM 0 HB3 SER A 11 7.662 -5.415 -10.672 1.00 0.78 H new ATOM 0 HG SER A 11 7.226 -7.304 -9.391 1.00 2.23 H new ATOM 162 N GLY A 12 5.982 -1.829 -9.453 1.00 0.58 N ATOM 163 CA GLY A 12 5.541 -0.580 -10.026 1.00 0.67 C ATOM 164 C GLY A 12 6.046 0.503 -9.071 1.00 1.15 C ATOM 165 O GLY A 12 7.087 0.320 -8.446 1.00 3.05 O ATOM 0 H GLY A 12 5.999 -1.787 -8.434 1.00 0.58 H new ATOM 0 HA2 GLY A 12 5.948 -0.442 -11.028 1.00 0.67 H new ATOM 0 HA3 GLY A 12 4.455 -0.550 -10.116 1.00 0.67 H new ATOM 169 N MET A 13 5.275 1.577 -8.901 1.00 0.70 N ATOM 170 CA MET A 13 5.585 2.705 -8.023 1.00 0.50 C ATOM 171 C MET A 13 6.916 3.370 -8.395 1.00 0.47 C ATOM 172 O MET A 13 7.957 3.127 -7.786 1.00 0.63 O ATOM 173 CB MET A 13 5.538 2.314 -6.537 1.00 0.51 C ATOM 174 CG MET A 13 4.162 2.482 -5.890 1.00 1.20 C ATOM 175 SD MET A 13 4.218 2.782 -4.103 1.00 1.92 S ATOM 176 CE MET A 13 4.916 1.227 -3.519 1.00 2.26 C ATOM 0 H MET A 13 4.386 1.689 -9.388 1.00 0.70 H new ATOM 0 HA MET A 13 4.801 3.447 -8.178 1.00 0.50 H new ATOM 0 HB2 MET A 13 5.851 1.275 -6.436 1.00 0.51 H new ATOM 0 HB3 MET A 13 6.261 2.919 -5.990 1.00 0.51 H new ATOM 0 HG2 MET A 13 3.645 3.312 -6.371 1.00 1.20 H new ATOM 0 HG3 MET A 13 3.571 1.586 -6.079 1.00 1.20 H new ATOM 0 HE1 MET A 13 4.898 1.206 -2.429 1.00 2.26 H new ATOM 0 HE2 MET A 13 4.328 0.396 -3.908 1.00 2.26 H new ATOM 0 HE3 MET A 13 5.945 1.137 -3.866 1.00 2.26 H new ATOM 186 N ASP A 14 6.842 4.272 -9.368 1.00 0.43 N ATOM 187 CA ASP A 14 7.954 4.878 -10.080 1.00 0.49 C ATOM 188 C ASP A 14 7.946 6.415 -10.023 1.00 0.54 C ATOM 189 O ASP A 14 8.921 7.025 -10.458 1.00 0.73 O ATOM 190 CB ASP A 14 7.874 4.393 -11.538 1.00 0.57 C ATOM 191 CG ASP A 14 6.547 4.731 -12.223 1.00 0.63 C ATOM 192 OD1 ASP A 14 5.516 4.805 -11.521 1.00 1.29 O ATOM 193 OD2 ASP A 14 6.575 4.920 -13.456 1.00 1.16 O ATOM 0 H ASP A 14 5.942 4.620 -9.700 1.00 0.43 H new ATOM 0 HA ASP A 14 8.886 4.575 -9.603 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.691 4.839 -12.106 1.00 0.57 H new ATOM 0 HB3 ASP A 14 8.021 3.313 -11.562 1.00 0.57 H new ATOM 198 N CYS A 15 6.896 7.045 -9.474 1.00 0.44 N ATOM 199 CA CYS A 15 6.764 8.496 -9.390 1.00 0.42 C ATOM 200 C CYS A 15 6.186 8.883 -8.031 1.00 0.34 C ATOM 201 O CYS A 15 5.406 8.132 -7.444 1.00 0.32 O ATOM 202 CB CYS A 15 5.830 9.054 -10.481 1.00 0.50 C ATOM 203 SG CYS A 15 6.006 8.246 -12.092 1.00 0.69 S ATOM 0 H CYS A 15 6.104 6.545 -9.070 1.00 0.44 H new ATOM 0 HA CYS A 15 7.760 8.917 -9.529 1.00 0.42 H new ATOM 0 HB2 CYS A 15 4.798 8.952 -10.147 1.00 0.50 H new ATOM 0 HB3 CYS A 15 6.023 10.120 -10.599 1.00 0.50 H new ATOM 208 N ALA A 16 6.485 10.103 -7.582 1.00 0.33 N ATOM 209 CA ALA A 16 5.902 10.661 -6.370 1.00 0.31 C ATOM 210 C ALA A 16 4.380 10.772 -6.501 1.00 0.25 C ATOM 211 O ALA A 16 3.644 10.548 -5.544 1.00 0.26 O ATOM 212 CB ALA A 16 6.525 12.029 -6.084 1.00 0.36 C ATOM 0 H ALA A 16 7.139 10.729 -8.052 1.00 0.33 H new ATOM 0 HA ALA A 16 6.115 9.994 -5.534 1.00 0.31 H new ATOM 0 HB1 ALA A 16 6.088 12.445 -5.177 1.00 0.36 H new ATOM 0 HB2 ALA A 16 7.601 11.918 -5.950 1.00 0.36 H new ATOM 0 HB3 ALA A 16 6.331 12.699 -6.921 1.00 0.36 H new ATOM 218 N ALA A 17 3.896 11.111 -7.699 1.00 0.26 N ATOM 219 CA ALA A 17 2.468 11.143 -7.977 1.00 0.26 C ATOM 220 C ALA A 17 1.860 9.755 -7.768 1.00 0.27 C ATOM 221 O ALA A 17 0.806 9.624 -7.149 1.00 0.25 O ATOM 222 CB ALA A 17 2.225 11.640 -9.404 1.00 0.28 C ATOM 0 H ALA A 17 4.482 11.368 -8.494 1.00 0.26 H new ATOM 0 HA ALA A 17 1.983 11.833 -7.287 1.00 0.26 H new ATOM 0 HB1 ALA A 17 1.154 11.661 -9.604 1.00 0.28 H new ATOM 0 HB2 ALA A 17 2.635 12.644 -9.514 1.00 0.28 H new ATOM 0 HB3 ALA A 17 2.713 10.969 -10.111 1.00 0.28 H new ATOM 228 N CYS A 18 2.540 8.727 -8.281 1.00 0.36 N ATOM 229 CA CYS A 18 2.137 7.340 -8.156 1.00 0.34 C ATOM 230 C CYS A 18 2.093 6.973 -6.671 1.00 0.34 C ATOM 231 O CYS A 18 1.066 6.494 -6.199 1.00 0.37 O ATOM 232 CB CYS A 18 3.058 6.454 -9.016 1.00 0.34 C ATOM 233 SG CYS A 18 2.973 7.037 -10.745 1.00 0.47 S ATOM 0 H CYS A 18 3.406 8.848 -8.806 1.00 0.36 H new ATOM 0 HA CYS A 18 1.132 7.172 -8.543 1.00 0.34 H new ATOM 0 HB2 CYS A 18 4.083 6.505 -8.649 1.00 0.34 H new ATOM 0 HB3 CYS A 18 2.748 5.411 -8.952 1.00 0.34 H new ATOM 238 N ALA A 19 3.152 7.277 -5.909 1.00 0.33 N ATOM 239 CA ALA A 19 3.132 7.166 -4.453 1.00 0.33 C ATOM 240 C ALA A 19 1.880 7.816 -3.866 1.00 0.24 C ATOM 241 O ALA A 19 1.110 7.140 -3.192 1.00 0.21 O ATOM 242 CB ALA A 19 4.391 7.775 -3.831 1.00 0.39 C ATOM 0 H ALA A 19 4.041 7.605 -6.287 1.00 0.33 H new ATOM 0 HA ALA A 19 3.112 6.104 -4.209 1.00 0.33 H new ATOM 0 HB1 ALA A 19 4.345 7.676 -2.746 1.00 0.39 H new ATOM 0 HB2 ALA A 19 5.271 7.253 -4.206 1.00 0.39 H new ATOM 0 HB3 ALA A 19 4.454 8.830 -4.097 1.00 0.39 H new ATOM 248 N ARG A 20 1.649 9.106 -4.125 1.00 0.26 N ATOM 249 CA ARG A 20 0.486 9.795 -3.593 1.00 0.22 C ATOM 250 C ARG A 20 -0.801 9.037 -3.933 1.00 0.24 C ATOM 251 O ARG A 20 -1.673 8.857 -3.084 1.00 0.29 O ATOM 252 CB ARG A 20 0.427 11.237 -4.107 1.00 0.26 C ATOM 253 CG ARG A 20 0.732 12.272 -3.008 1.00 0.62 C ATOM 254 CD ARG A 20 -0.165 13.506 -3.149 1.00 0.72 C ATOM 255 NE ARG A 20 -1.567 13.162 -2.850 1.00 2.43 N ATOM 256 CZ ARG A 20 -2.603 14.009 -2.947 1.00 3.44 C ATOM 257 NH1 ARG A 20 -2.396 15.277 -3.320 1.00 3.18 N ATOM 258 NH2 ARG A 20 -3.838 13.583 -2.675 1.00 5.16 N ATOM 0 H ARG A 20 2.257 9.689 -4.701 1.00 0.26 H new ATOM 0 HA ARG A 20 0.578 9.828 -2.507 1.00 0.22 H new ATOM 0 HB2 ARG A 20 1.141 11.357 -4.922 1.00 0.26 H new ATOM 0 HB3 ARG A 20 -0.563 11.431 -4.519 1.00 0.26 H new ATOM 0 HG2 ARG A 20 0.583 11.820 -2.027 1.00 0.62 H new ATOM 0 HG3 ARG A 20 1.779 12.571 -3.066 1.00 0.62 H new ATOM 0 HD2 ARG A 20 0.176 14.290 -2.472 1.00 0.72 H new ATOM 0 HD3 ARG A 20 -0.090 13.904 -4.161 1.00 0.72 H new ATOM 0 HE ARG A 20 -1.764 12.208 -2.547 1.00 2.43 H new ATOM 0 HH11 ARG A 20 -1.451 15.599 -3.530 1.00 3.18 H new ATOM 0 HH12 ARG A 20 -3.183 15.922 -3.394 1.00 3.18 H new ATOM 0 HH21 ARG A 20 -3.993 12.615 -2.394 1.00 5.16 H new ATOM 0 HH22 ARG A 20 -4.627 14.226 -2.748 1.00 5.16 H new ATOM 272 N LYS A 21 -0.926 8.591 -5.185 1.00 0.26 N ATOM 273 CA LYS A 21 -2.101 7.859 -5.619 1.00 0.32 C ATOM 274 C LYS A 21 -2.220 6.535 -4.868 1.00 0.34 C ATOM 275 O LYS A 21 -3.327 6.142 -4.518 1.00 0.41 O ATOM 276 CB LYS A 21 -2.116 7.667 -7.145 1.00 0.35 C ATOM 277 CG LYS A 21 -3.373 8.326 -7.729 1.00 0.68 C ATOM 278 CD LYS A 21 -3.464 8.107 -9.243 1.00 1.27 C ATOM 279 CE LYS A 21 -4.739 8.757 -9.813 1.00 1.58 C ATOM 280 NZ LYS A 21 -4.444 9.808 -10.810 1.00 2.62 N ATOM 0 H LYS A 21 -0.223 8.728 -5.911 1.00 0.26 H new ATOM 0 HA LYS A 21 -2.981 8.453 -5.374 1.00 0.32 H new ATOM 0 HB2 LYS A 21 -1.222 8.108 -7.587 1.00 0.35 H new ATOM 0 HB3 LYS A 21 -2.102 6.605 -7.389 1.00 0.35 H new ATOM 0 HG2 LYS A 21 -4.260 7.915 -7.246 1.00 0.68 H new ATOM 0 HG3 LYS A 21 -3.359 9.395 -7.514 1.00 0.68 H new ATOM 0 HD2 LYS A 21 -2.585 8.530 -9.730 1.00 1.27 H new ATOM 0 HD3 LYS A 21 -3.466 7.039 -9.461 1.00 1.27 H new ATOM 0 HE2 LYS A 21 -5.360 7.988 -10.274 1.00 1.58 H new ATOM 0 HE3 LYS A 21 -5.319 9.188 -8.997 1.00 1.58 H new ATOM 0 HZ1 LYS A 21 -5.335 10.213 -11.162 1.00 2.62 H new ATOM 0 HZ2 LYS A 21 -3.875 10.557 -10.367 1.00 2.62 H new ATOM 0 HZ3 LYS A 21 -3.914 9.395 -11.604 1.00 2.62 H new ATOM 294 N VAL A 22 -1.105 5.852 -4.604 1.00 0.32 N ATOM 295 CA VAL A 22 -1.094 4.604 -3.862 1.00 0.35 C ATOM 296 C VAL A 22 -1.543 4.867 -2.427 1.00 0.28 C ATOM 297 O VAL A 22 -2.450 4.190 -1.936 1.00 0.34 O ATOM 298 CB VAL A 22 0.300 3.960 -3.953 1.00 0.40 C ATOM 299 CG1 VAL A 22 0.449 2.770 -3.008 1.00 0.52 C ATOM 300 CG2 VAL A 22 0.515 3.425 -5.369 1.00 0.55 C ATOM 0 H VAL A 22 -0.179 6.158 -4.905 1.00 0.32 H new ATOM 0 HA VAL A 22 -1.797 3.891 -4.292 1.00 0.35 H new ATOM 0 HB VAL A 22 1.024 4.730 -3.684 1.00 0.40 H new ATOM 0 HG11 VAL A 22 1.449 2.349 -3.108 1.00 0.52 H new ATOM 0 HG12 VAL A 22 0.295 3.100 -1.981 1.00 0.52 H new ATOM 0 HG13 VAL A 22 -0.291 2.011 -3.260 1.00 0.52 H new ATOM 0 HG21 VAL A 22 1.502 2.967 -5.439 1.00 0.55 H new ATOM 0 HG22 VAL A 22 -0.247 2.680 -5.596 1.00 0.55 H new ATOM 0 HG23 VAL A 22 0.444 4.246 -6.083 1.00 0.55 H new ATOM 310 N GLU A 23 -0.938 5.849 -1.748 1.00 0.22 N ATOM 311 CA GLU A 23 -1.324 6.098 -0.367 1.00 0.27 C ATOM 312 C GLU A 23 -2.782 6.525 -0.305 1.00 0.28 C ATOM 313 O GLU A 23 -3.477 6.133 0.616 1.00 0.32 O ATOM 314 CB GLU A 23 -0.418 7.067 0.399 1.00 0.42 C ATOM 315 CG GLU A 23 -0.373 8.464 -0.213 1.00 0.36 C ATOM 316 CD GLU A 23 0.470 9.444 0.588 1.00 0.58 C ATOM 317 OE1 GLU A 23 1.256 8.970 1.435 1.00 1.83 O ATOM 318 OE2 GLU A 23 0.295 10.657 0.338 1.00 1.60 O ATOM 0 H GLU A 23 -0.209 6.459 -2.119 1.00 0.22 H new ATOM 0 HA GLU A 23 -1.193 5.150 0.154 1.00 0.27 H new ATOM 0 HB2 GLU A 23 -0.766 7.141 1.429 1.00 0.42 H new ATOM 0 HB3 GLU A 23 0.592 6.660 0.432 1.00 0.42 H new ATOM 0 HG2 GLU A 23 0.024 8.397 -1.226 1.00 0.36 H new ATOM 0 HG3 GLU A 23 -1.389 8.851 -0.294 1.00 0.36 H new ATOM 325 N ASN A 24 -3.270 7.295 -1.277 1.00 0.31 N ATOM 326 CA ASN A 24 -4.681 7.646 -1.357 1.00 0.44 C ATOM 327 C ASN A 24 -5.559 6.413 -1.598 1.00 0.49 C ATOM 328 O ASN A 24 -6.588 6.241 -0.940 1.00 0.61 O ATOM 329 CB ASN A 24 -4.902 8.695 -2.454 1.00 0.48 C ATOM 330 CG ASN A 24 -4.868 10.114 -1.897 1.00 1.09 C ATOM 331 OD1 ASN A 24 -4.014 10.928 -2.245 1.00 2.66 O ATOM 332 ND2 ASN A 24 -5.826 10.444 -1.036 1.00 1.50 N ATOM 0 H ASN A 24 -2.700 7.689 -2.025 1.00 0.31 H new ATOM 0 HA ASN A 24 -4.977 8.070 -0.398 1.00 0.44 H new ATOM 0 HB2 ASN A 24 -4.134 8.587 -3.220 1.00 0.48 H new ATOM 0 HB3 ASN A 24 -5.862 8.518 -2.938 1.00 0.48 H new ATOM 0 HD21 ASN A 24 -5.862 11.388 -0.651 1.00 1.50 H new ATOM 0 HD22 ASN A 24 -6.524 9.753 -0.761 1.00 1.50 H new ATOM 339 N ALA A 25 -5.170 5.573 -2.562 1.00 0.46 N ATOM 340 CA ALA A 25 -5.869 4.351 -2.941 1.00 0.55 C ATOM 341 C ALA A 25 -6.036 3.422 -1.744 1.00 0.48 C ATOM 342 O ALA A 25 -7.049 2.736 -1.625 1.00 0.59 O ATOM 343 CB ALA A 25 -5.129 3.647 -4.080 1.00 0.62 C ATOM 0 H ALA A 25 -4.330 5.735 -3.117 1.00 0.46 H new ATOM 0 HA ALA A 25 -6.865 4.621 -3.292 1.00 0.55 H new ATOM 0 HB1 ALA A 25 -5.662 2.736 -4.352 1.00 0.62 H new ATOM 0 HB2 ALA A 25 -5.077 4.309 -4.944 1.00 0.62 H new ATOM 0 HB3 ALA A 25 -4.120 3.393 -3.756 1.00 0.62 H new ATOM 349 N VAL A 26 -5.045 3.406 -0.853 1.00 0.32 N ATOM 350 CA VAL A 26 -5.109 2.648 0.385 1.00 0.28 C ATOM 351 C VAL A 26 -5.849 3.426 1.475 1.00 0.32 C ATOM 352 O VAL A 26 -6.766 2.900 2.101 1.00 0.38 O ATOM 353 CB VAL A 26 -3.686 2.198 0.755 1.00 0.30 C ATOM 354 CG1 VAL A 26 -3.505 1.861 2.233 1.00 2.11 C ATOM 355 CG2 VAL A 26 -3.355 1.015 -0.140 1.00 2.09 C ATOM 0 H VAL A 26 -4.174 3.922 -0.975 1.00 0.32 H new ATOM 0 HA VAL A 26 -5.705 1.744 0.261 1.00 0.28 H new ATOM 0 HB VAL A 26 -2.996 3.026 0.593 1.00 0.30 H new ATOM 0 HG11 VAL A 26 -2.475 1.553 2.412 1.00 2.11 H new ATOM 0 HG12 VAL A 26 -3.731 2.740 2.837 1.00 2.11 H new ATOM 0 HG13 VAL A 26 -4.180 1.050 2.506 1.00 2.11 H new ATOM 0 HG21 VAL A 26 -2.350 0.658 0.086 1.00 2.09 H new ATOM 0 HG22 VAL A 26 -4.073 0.214 0.036 1.00 2.09 H new ATOM 0 HG23 VAL A 26 -3.404 1.324 -1.184 1.00 2.09 H new ATOM 365 N ARG A 27 -5.469 4.680 1.721 1.00 0.33 N ATOM 366 CA ARG A 27 -5.959 5.467 2.845 1.00 0.39 C ATOM 367 C ARG A 27 -7.476 5.623 2.804 1.00 0.47 C ATOM 368 O ARG A 27 -8.121 5.658 3.848 1.00 0.54 O ATOM 369 CB ARG A 27 -5.236 6.814 2.895 1.00 0.35 C ATOM 370 CG ARG A 27 -5.597 7.611 4.150 1.00 0.42 C ATOM 371 CD ARG A 27 -4.605 8.762 4.334 1.00 0.49 C ATOM 372 NE ARG A 27 -4.936 9.541 5.537 1.00 0.66 N ATOM 373 CZ ARG A 27 -4.219 10.574 6.003 1.00 1.19 C ATOM 374 NH1 ARG A 27 -3.103 10.950 5.369 1.00 1.91 N ATOM 375 NH2 ARG A 27 -4.628 11.230 7.095 1.00 1.30 N ATOM 0 H ARG A 27 -4.802 5.182 1.134 1.00 0.33 H new ATOM 0 HA ARG A 27 -5.735 4.933 3.769 1.00 0.39 H new ATOM 0 HB2 ARG A 27 -4.159 6.649 2.868 1.00 0.35 H new ATOM 0 HB3 ARG A 27 -5.492 7.396 2.010 1.00 0.35 H new ATOM 0 HG2 ARG A 27 -6.611 8.002 4.065 1.00 0.42 H new ATOM 0 HG3 ARG A 27 -5.579 6.960 5.024 1.00 0.42 H new ATOM 0 HD2 ARG A 27 -3.592 8.367 4.417 1.00 0.49 H new ATOM 0 HD3 ARG A 27 -4.624 9.410 3.458 1.00 0.49 H new ATOM 0 HE ARG A 27 -5.773 9.276 6.055 1.00 0.66 H new ATOM 0 HH11 ARG A 27 -2.799 10.451 4.533 1.00 1.91 H new ATOM 0 HH12 ARG A 27 -2.556 11.735 5.722 1.00 1.91 H new ATOM 0 HH21 ARG A 27 -5.483 10.944 7.571 1.00 1.30 H new ATOM 0 HH22 ARG A 27 -4.084 12.016 7.451 1.00 1.30 H new ATOM 389 N GLN A 28 -8.051 5.680 1.602 1.00 0.50 N ATOM 390 CA GLN A 28 -9.496 5.710 1.429 1.00 0.62 C ATOM 391 C GLN A 28 -10.229 4.521 2.065 1.00 0.57 C ATOM 392 O GLN A 28 -11.448 4.593 2.185 1.00 0.68 O ATOM 393 CB GLN A 28 -9.865 5.893 -0.044 1.00 0.74 C ATOM 394 CG GLN A 28 -9.502 4.642 -0.838 1.00 0.75 C ATOM 395 CD GLN A 28 -9.697 4.844 -2.335 1.00 0.92 C ATOM 396 OE1 GLN A 28 -10.468 4.140 -2.977 1.00 1.07 O ATOM 397 NE2 GLN A 28 -9.007 5.829 -2.903 1.00 0.97 N ATOM 0 H GLN A 28 -7.527 5.706 0.727 1.00 0.50 H new ATOM 0 HA GLN A 28 -9.849 6.580 1.983 1.00 0.62 H new ATOM 0 HB2 GLN A 28 -10.932 6.094 -0.137 1.00 0.74 H new ATOM 0 HB3 GLN A 28 -9.341 6.757 -0.453 1.00 0.74 H new ATOM 0 HG2 GLN A 28 -8.464 4.374 -0.640 1.00 0.75 H new ATOM 0 HG3 GLN A 28 -10.116 3.807 -0.501 1.00 0.75 H new ATOM 0 HE21 GLN A 28 -8.373 6.397 -2.341 1.00 0.97 H new ATOM 0 HE22 GLN A 28 -9.112 6.016 -3.900 1.00 0.97 H new ATOM 406 N LEU A 29 -9.547 3.414 2.397 1.00 0.45 N ATOM 407 CA LEU A 29 -10.238 2.203 2.828 1.00 0.43 C ATOM 408 C LEU A 29 -11.014 2.448 4.126 1.00 0.44 C ATOM 409 O LEU A 29 -12.241 2.479 4.106 1.00 0.50 O ATOM 410 CB LEU A 29 -9.253 1.033 2.962 1.00 0.35 C ATOM 411 CG LEU A 29 -8.763 0.509 1.601 1.00 0.45 C ATOM 412 CD1 LEU A 29 -7.552 -0.400 1.829 1.00 0.42 C ATOM 413 CD2 LEU A 29 -9.857 -0.277 0.867 1.00 0.60 C ATOM 0 H LEU A 29 -8.530 3.338 2.374 1.00 0.45 H new ATOM 0 HA LEU A 29 -10.966 1.931 2.064 1.00 0.43 H new ATOM 0 HB2 LEU A 29 -8.395 1.352 3.554 1.00 0.35 H new ATOM 0 HB3 LEU A 29 -9.733 0.221 3.508 1.00 0.35 H new ATOM 0 HG LEU A 29 -8.494 1.364 0.981 1.00 0.45 H new ATOM 0 HD11 LEU A 29 -7.195 -0.778 0.871 1.00 0.42 H new ATOM 0 HD12 LEU A 29 -6.757 0.167 2.314 1.00 0.42 H new ATOM 0 HD13 LEU A 29 -7.840 -1.237 2.465 1.00 0.42 H new ATOM 0 HD21 LEU A 29 -9.472 -0.630 -0.090 1.00 0.60 H new ATOM 0 HD22 LEU A 29 -10.161 -1.130 1.473 1.00 0.60 H new ATOM 0 HD23 LEU A 29 -10.717 0.370 0.695 1.00 0.60 H new ATOM 425 N ALA A 30 -10.291 2.587 5.244 1.00 0.42 N ATOM 426 CA ALA A 30 -10.786 2.829 6.595 1.00 0.48 C ATOM 427 C ALA A 30 -9.696 2.463 7.601 1.00 0.47 C ATOM 428 O ALA A 30 -9.236 3.304 8.364 1.00 0.47 O ATOM 429 CB ALA A 30 -12.020 1.976 6.880 1.00 0.49 C ATOM 0 H ALA A 30 -9.273 2.528 5.221 1.00 0.42 H new ATOM 0 HA ALA A 30 -11.053 3.882 6.683 1.00 0.48 H new ATOM 0 HB1 ALA A 30 -12.372 2.172 7.893 1.00 0.49 H new ATOM 0 HB2 ALA A 30 -12.807 2.225 6.168 1.00 0.49 H new ATOM 0 HB3 ALA A 30 -11.763 0.921 6.783 1.00 0.49 H new ATOM 435 N GLY A 31 -9.310 1.182 7.601 1.00 0.49 N ATOM 436 CA GLY A 31 -8.418 0.588 8.589 1.00 0.48 C ATOM 437 C GLY A 31 -7.119 1.374 8.772 1.00 0.46 C ATOM 438 O GLY A 31 -6.638 1.559 9.889 1.00 0.55 O ATOM 0 H GLY A 31 -9.621 0.517 6.893 1.00 0.49 H new ATOM 0 HA2 GLY A 31 -8.936 0.525 9.546 1.00 0.48 H new ATOM 0 HA3 GLY A 31 -8.179 -0.432 8.288 1.00 0.48 H new ATOM 442 N VAL A 32 -6.499 1.725 7.645 1.00 0.37 N ATOM 443 CA VAL A 32 -5.190 2.336 7.582 1.00 0.33 C ATOM 444 C VAL A 32 -5.140 3.668 8.338 1.00 0.33 C ATOM 445 O VAL A 32 -5.886 4.594 8.029 1.00 0.39 O ATOM 446 CB VAL A 32 -4.692 2.381 6.133 1.00 0.32 C ATOM 447 CG1 VAL A 32 -5.778 2.519 5.073 1.00 0.38 C ATOM 448 CG2 VAL A 32 -3.673 3.496 5.937 1.00 0.35 C ATOM 0 H VAL A 32 -6.916 1.583 6.725 1.00 0.37 H new ATOM 0 HA VAL A 32 -4.473 1.713 8.117 1.00 0.33 H new ATOM 0 HB VAL A 32 -4.237 1.402 5.984 1.00 0.32 H new ATOM 0 HG11 VAL A 32 -5.320 2.541 4.084 1.00 0.38 H new ATOM 0 HG12 VAL A 32 -6.460 1.671 5.138 1.00 0.38 H new ATOM 0 HG13 VAL A 32 -6.332 3.443 5.237 1.00 0.38 H new ATOM 0 HG21 VAL A 32 -3.337 3.504 4.900 1.00 0.35 H new ATOM 0 HG22 VAL A 32 -4.132 4.455 6.177 1.00 0.35 H new ATOM 0 HG23 VAL A 32 -2.819 3.328 6.593 1.00 0.35 H new ATOM 458 N ASN A 33 -4.216 3.753 9.300 1.00 0.29 N ATOM 459 CA ASN A 33 -4.007 4.908 10.158 1.00 0.32 C ATOM 460 C ASN A 33 -2.853 5.735 9.599 1.00 0.29 C ATOM 461 O ASN A 33 -3.033 6.919 9.315 1.00 0.40 O ATOM 462 CB ASN A 33 -3.696 4.452 11.592 1.00 0.39 C ATOM 463 CG ASN A 33 -4.872 3.716 12.224 1.00 0.69 C ATOM 464 OD1 ASN A 33 -5.993 4.211 12.206 1.00 0.99 O ATOM 465 ND2 ASN A 33 -4.649 2.543 12.809 1.00 0.90 N ATOM 0 H ASN A 33 -3.573 2.988 9.505 1.00 0.29 H new ATOM 0 HA ASN A 33 -4.911 5.517 10.184 1.00 0.32 H new ATOM 0 HB2 ASN A 33 -2.822 3.800 11.584 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -3.441 5.319 12.201 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -5.418 2.040 13.252 1.00 0.90 H new ATOM 0 HD22 ASN A 33 -3.709 2.146 12.814 1.00 0.90 H new ATOM 472 N GLN A 34 -1.678 5.113 9.427 1.00 0.22 N ATOM 473 CA GLN A 34 -0.521 5.744 8.797 1.00 0.24 C ATOM 474 C GLN A 34 -0.202 5.001 7.501 1.00 0.25 C ATOM 475 O GLN A 34 -0.346 3.778 7.418 1.00 0.53 O ATOM 476 CB GLN A 34 0.686 5.777 9.753 1.00 0.33 C ATOM 477 CG GLN A 34 1.848 6.655 9.264 1.00 0.32 C ATOM 478 CD GLN A 34 1.467 8.130 9.276 1.00 0.46 C ATOM 479 OE1 GLN A 34 1.020 8.670 8.268 1.00 1.31 O ATOM 480 NE2 GLN A 34 1.615 8.787 10.425 1.00 1.73 N ATOM 0 H GLN A 34 -1.508 4.152 9.725 1.00 0.22 H new ATOM 0 HA GLN A 34 -0.753 6.783 8.561 1.00 0.24 H new ATOM 0 HB2 GLN A 34 0.355 6.139 10.726 1.00 0.33 H new ATOM 0 HB3 GLN A 34 1.049 4.760 9.898 1.00 0.33 H new ATOM 0 HG2 GLN A 34 2.719 6.497 9.899 1.00 0.32 H new ATOM 0 HG3 GLN A 34 2.132 6.358 8.254 1.00 0.32 H new ATOM 0 HE21 GLN A 34 1.990 8.306 11.243 1.00 1.73 H new ATOM 0 HE22 GLN A 34 1.354 9.771 10.487 1.00 1.73 H new ATOM 489 N VAL A 35 0.215 5.766 6.493 1.00 0.35 N ATOM 490 CA VAL A 35 0.657 5.302 5.200 1.00 0.44 C ATOM 491 C VAL A 35 2.164 5.527 5.116 1.00 0.40 C ATOM 492 O VAL A 35 2.659 6.539 5.609 1.00 0.62 O ATOM 493 CB VAL A 35 -0.072 6.109 4.114 1.00 0.90 C ATOM 494 CG1 VAL A 35 -1.520 5.632 3.974 1.00 1.13 C ATOM 495 CG2 VAL A 35 -0.059 7.634 4.334 1.00 2.66 C ATOM 0 H VAL A 35 0.251 6.782 6.572 1.00 0.35 H new ATOM 0 HA VAL A 35 0.437 4.244 5.057 1.00 0.44 H new ATOM 0 HB VAL A 35 0.488 5.924 3.197 1.00 0.90 H new ATOM 0 HG11 VAL A 35 -2.022 6.214 3.201 1.00 1.13 H new ATOM 0 HG12 VAL A 35 -1.531 4.577 3.699 1.00 1.13 H new ATOM 0 HG13 VAL A 35 -2.040 5.765 4.923 1.00 1.13 H new ATOM 0 HG21 VAL A 35 -0.595 8.123 3.521 1.00 2.66 H new ATOM 0 HG22 VAL A 35 -0.543 7.869 5.282 1.00 2.66 H new ATOM 0 HG23 VAL A 35 0.971 7.990 4.355 1.00 2.66 H new ATOM 505 N GLN A 36 2.900 4.607 4.488 1.00 0.29 N ATOM 506 CA GLN A 36 4.306 4.819 4.188 1.00 0.37 C ATOM 507 C GLN A 36 4.641 4.081 2.891 1.00 0.36 C ATOM 508 O GLN A 36 5.216 2.987 2.901 1.00 0.44 O ATOM 509 CB GLN A 36 5.152 4.359 5.376 1.00 0.38 C ATOM 510 CG GLN A 36 6.633 4.709 5.154 1.00 0.51 C ATOM 511 CD GLN A 36 7.574 4.085 6.178 1.00 0.72 C ATOM 512 OE1 GLN A 36 7.359 2.824 6.543 1.00 1.63 O flip ATOM 513 NE2 GLN A 36 8.545 4.703 6.593 1.00 0.73 N flip ATOM 0 H GLN A 36 2.537 3.705 4.179 1.00 0.29 H new ATOM 0 HA GLN A 36 4.528 5.875 4.034 1.00 0.37 H new ATOM 0 HB2 GLN A 36 4.794 4.833 6.290 1.00 0.38 H new ATOM 0 HB3 GLN A 36 5.043 3.283 5.512 1.00 0.38 H new ATOM 0 HG2 GLN A 36 6.928 4.382 4.157 1.00 0.51 H new ATOM 0 HG3 GLN A 36 6.748 5.793 5.181 1.00 0.51 H new ATOM 0 HE21 GLN A 36 8.696 5.669 6.304 1.00 0.73 H new ATOM 0 HE22 GLN A 36 9.203 4.252 7.228 1.00 0.73 H new ATOM 522 N VAL A 37 4.296 4.711 1.768 1.00 0.31 N ATOM 523 CA VAL A 37 4.448 4.152 0.436 1.00 0.24 C ATOM 524 C VAL A 37 5.763 4.676 -0.147 1.00 0.26 C ATOM 525 O VAL A 37 5.872 5.845 -0.507 1.00 0.40 O ATOM 526 CB VAL A 37 3.191 4.447 -0.408 1.00 0.43 C ATOM 527 CG1 VAL A 37 1.945 3.888 0.294 1.00 1.76 C ATOM 528 CG2 VAL A 37 2.952 5.932 -0.702 1.00 1.37 C ATOM 0 H VAL A 37 3.893 5.648 1.766 1.00 0.31 H new ATOM 0 HA VAL A 37 4.520 3.064 0.449 1.00 0.24 H new ATOM 0 HB VAL A 37 3.371 3.959 -1.366 1.00 0.43 H new ATOM 0 HG11 VAL A 37 1.062 4.101 -0.308 1.00 1.76 H new ATOM 0 HG12 VAL A 37 2.050 2.810 0.417 1.00 1.76 H new ATOM 0 HG13 VAL A 37 1.838 4.356 1.273 1.00 1.76 H new ATOM 0 HG21 VAL A 37 2.047 6.044 -1.300 1.00 1.37 H new ATOM 0 HG22 VAL A 37 2.836 6.475 0.236 1.00 1.37 H new ATOM 0 HG23 VAL A 37 3.802 6.336 -1.252 1.00 1.37 H new ATOM 538 N LEU A 38 6.799 3.833 -0.170 1.00 0.25 N ATOM 539 CA LEU A 38 8.119 4.227 -0.615 1.00 0.29 C ATOM 540 C LEU A 38 8.294 3.727 -2.044 1.00 0.30 C ATOM 541 O LEU A 38 8.776 2.618 -2.289 1.00 0.32 O ATOM 542 CB LEU A 38 9.182 3.694 0.349 1.00 0.33 C ATOM 543 CG LEU A 38 10.594 4.125 -0.071 1.00 0.39 C ATOM 544 CD1 LEU A 38 10.776 5.648 -0.074 1.00 0.55 C ATOM 545 CD2 LEU A 38 11.623 3.484 0.863 1.00 0.45 C ATOM 0 H LEU A 38 6.736 2.858 0.122 1.00 0.25 H new ATOM 0 HA LEU A 38 8.236 5.311 -0.614 1.00 0.29 H new ATOM 0 HB2 LEU A 38 8.975 4.056 1.356 1.00 0.33 H new ATOM 0 HB3 LEU A 38 9.129 2.606 0.385 1.00 0.33 H new ATOM 0 HG LEU A 38 10.744 3.784 -1.096 1.00 0.39 H new ATOM 0 HD11 LEU A 38 11.794 5.892 -0.379 1.00 0.55 H new ATOM 0 HD12 LEU A 38 10.070 6.097 -0.772 1.00 0.55 H new ATOM 0 HD13 LEU A 38 10.594 6.038 0.927 1.00 0.55 H new ATOM 0 HD21 LEU A 38 12.626 3.790 0.565 1.00 0.45 H new ATOM 0 HD22 LEU A 38 11.435 3.806 1.887 1.00 0.45 H new ATOM 0 HD23 LEU A 38 11.542 2.399 0.803 1.00 0.45 H new ATOM 557 N PHE A 39 7.878 4.574 -2.984 1.00 0.35 N ATOM 558 CA PHE A 39 8.092 4.330 -4.395 1.00 0.36 C ATOM 559 C PHE A 39 9.583 4.375 -4.728 1.00 0.40 C ATOM 560 O PHE A 39 10.405 4.735 -3.883 1.00 0.37 O ATOM 561 CB PHE A 39 7.284 5.334 -5.222 1.00 0.40 C ATOM 562 CG PHE A 39 7.939 6.683 -5.425 1.00 0.30 C ATOM 563 CD1 PHE A 39 7.911 7.670 -4.423 1.00 1.74 C ATOM 564 CD2 PHE A 39 8.634 6.925 -6.625 1.00 1.79 C ATOM 565 CE1 PHE A 39 8.489 8.927 -4.665 1.00 1.81 C ATOM 566 CE2 PHE A 39 9.202 8.182 -6.871 1.00 1.79 C ATOM 567 CZ PHE A 39 9.089 9.195 -5.907 1.00 0.60 C ATOM 0 H PHE A 39 7.385 5.444 -2.782 1.00 0.35 H new ATOM 0 HA PHE A 39 7.740 3.330 -4.649 1.00 0.36 H new ATOM 0 HB2 PHE A 39 7.083 4.896 -6.200 1.00 0.40 H new ATOM 0 HB3 PHE A 39 6.320 5.486 -4.737 1.00 0.40 H new ATOM 0 HD1 PHE A 39 7.446 7.462 -3.471 1.00 1.74 H new ATOM 0 HD2 PHE A 39 8.730 6.139 -7.359 1.00 1.79 H new ATOM 0 HE1 PHE A 39 8.472 9.687 -3.897 1.00 1.81 H new ATOM 0 HE2 PHE A 39 9.724 8.370 -7.798 1.00 1.79 H new ATOM 0 HZ PHE A 39 9.465 10.185 -6.120 1.00 0.60 H new ATOM 577 N ALA A 40 9.925 3.972 -5.954 1.00 0.47 N ATOM 578 CA ALA A 40 11.285 3.757 -6.430 1.00 0.44 C ATOM 579 C ALA A 40 11.884 2.536 -5.730 1.00 0.39 C ATOM 580 O ALA A 40 12.152 1.526 -6.372 1.00 0.61 O ATOM 581 CB ALA A 40 12.151 5.018 -6.315 1.00 0.46 C ATOM 0 H ALA A 40 9.226 3.779 -6.671 1.00 0.47 H new ATOM 0 HA ALA A 40 11.257 3.544 -7.499 1.00 0.44 H new ATOM 0 HB1 ALA A 40 13.155 4.805 -6.683 1.00 0.46 H new ATOM 0 HB2 ALA A 40 11.709 5.818 -6.909 1.00 0.46 H new ATOM 0 HB3 ALA A 40 12.205 5.328 -5.272 1.00 0.46 H new ATOM 587 N THR A 41 11.999 2.573 -4.401 1.00 0.37 N ATOM 588 CA THR A 41 12.413 1.432 -3.589 1.00 0.35 C ATOM 589 C THR A 41 11.219 0.488 -3.357 1.00 0.49 C ATOM 590 O THR A 41 10.975 0.076 -2.226 1.00 1.20 O ATOM 591 CB THR A 41 13.019 1.941 -2.269 1.00 0.52 C ATOM 592 OG1 THR A 41 13.822 3.088 -2.485 1.00 1.17 O ATOM 593 CG2 THR A 41 13.903 0.891 -1.589 1.00 0.82 C ATOM 0 H THR A 41 11.804 3.410 -3.852 1.00 0.37 H new ATOM 0 HA THR A 41 13.179 0.857 -4.110 1.00 0.35 H new ATOM 0 HB THR A 41 12.169 2.175 -1.628 1.00 0.52 H new ATOM 0 HG1 THR A 41 14.194 3.393 -1.631 1.00 1.17 H new ATOM 0 HG21 THR A 41 14.306 1.300 -0.662 1.00 0.82 H new ATOM 0 HG22 THR A 41 13.309 0.004 -1.367 1.00 0.82 H new ATOM 0 HG23 THR A 41 14.724 0.621 -2.254 1.00 0.82 H new ATOM 601 N GLU A 42 10.498 0.177 -4.442 1.00 0.45 N ATOM 602 CA GLU A 42 9.376 -0.743 -4.625 1.00 0.46 C ATOM 603 C GLU A 42 8.695 -1.343 -3.377 1.00 0.40 C ATOM 604 O GLU A 42 8.365 -2.534 -3.392 1.00 0.55 O ATOM 605 CB GLU A 42 9.837 -1.830 -5.616 1.00 0.72 C ATOM 606 CG GLU A 42 11.028 -2.648 -5.084 1.00 1.82 C ATOM 607 CD GLU A 42 11.615 -3.585 -6.133 1.00 2.43 C ATOM 608 OE1 GLU A 42 10.908 -3.864 -7.125 1.00 2.83 O ATOM 609 OE2 GLU A 42 12.772 -4.007 -5.918 1.00 3.53 O ATOM 0 H GLU A 42 10.722 0.628 -5.329 1.00 0.45 H new ATOM 0 HA GLU A 42 8.557 -0.134 -5.006 1.00 0.46 H new ATOM 0 HB2 GLU A 42 9.005 -2.502 -5.826 1.00 0.72 H new ATOM 0 HB3 GLU A 42 10.115 -1.362 -6.560 1.00 0.72 H new ATOM 0 HG2 GLU A 42 11.805 -1.967 -4.736 1.00 1.82 H new ATOM 0 HG3 GLU A 42 10.706 -3.231 -4.221 1.00 1.82 H new ATOM 616 N LYS A 43 8.377 -0.549 -2.342 1.00 0.28 N ATOM 617 CA LYS A 43 7.704 -1.083 -1.165 1.00 0.29 C ATOM 618 C LYS A 43 6.647 -0.136 -0.646 1.00 0.35 C ATOM 619 O LYS A 43 6.786 1.086 -0.707 1.00 0.52 O ATOM 620 CB LYS A 43 8.687 -1.536 -0.072 1.00 0.40 C ATOM 621 CG LYS A 43 9.341 -0.452 0.803 1.00 1.23 C ATOM 622 CD LYS A 43 8.431 0.155 1.887 1.00 0.98 C ATOM 623 CE LYS A 43 9.242 0.872 2.975 1.00 1.87 C ATOM 624 NZ LYS A 43 8.359 1.550 3.947 1.00 3.13 N ATOM 0 H LYS A 43 8.575 0.451 -2.303 1.00 0.28 H new ATOM 0 HA LYS A 43 7.185 -1.987 -1.484 1.00 0.29 H new ATOM 0 HB2 LYS A 43 8.159 -2.225 0.588 1.00 0.40 H new ATOM 0 HB3 LYS A 43 9.484 -2.103 -0.553 1.00 0.40 H new ATOM 0 HG2 LYS A 43 10.219 -0.880 1.287 1.00 1.23 H new ATOM 0 HG3 LYS A 43 9.693 0.351 0.156 1.00 1.23 H new ATOM 0 HD2 LYS A 43 7.737 0.859 1.427 1.00 0.98 H new ATOM 0 HD3 LYS A 43 7.831 -0.633 2.341 1.00 0.98 H new ATOM 0 HE2 LYS A 43 9.873 0.151 3.495 1.00 1.87 H new ATOM 0 HE3 LYS A 43 9.907 1.602 2.514 1.00 1.87 H new ATOM 0 HZ1 LYS A 43 8.766 2.473 4.201 1.00 3.13 H new ATOM 0 HZ2 LYS A 43 7.419 1.690 3.524 1.00 3.13 H new ATOM 0 HZ3 LYS A 43 8.270 0.965 4.802 1.00 3.13 H new ATOM 638 N LEU A 44 5.594 -0.719 -0.087 1.00 0.27 N ATOM 639 CA LEU A 44 4.552 -0.026 0.612 1.00 0.27 C ATOM 640 C LEU A 44 4.553 -0.628 2.015 1.00 0.19 C ATOM 641 O LEU A 44 4.840 -1.812 2.171 1.00 0.26 O ATOM 642 CB LEU A 44 3.275 -0.195 -0.224 1.00 0.34 C ATOM 643 CG LEU A 44 2.076 -0.783 0.480 1.00 0.56 C ATOM 644 CD1 LEU A 44 1.645 0.105 1.627 1.00 0.72 C ATOM 645 CD2 LEU A 44 0.934 -0.976 -0.492 1.00 0.80 C ATOM 0 H LEU A 44 5.449 -1.728 -0.117 1.00 0.27 H new ATOM 0 HA LEU A 44 4.665 1.051 0.735 1.00 0.27 H new ATOM 0 HB2 LEU A 44 2.994 0.782 -0.616 1.00 0.34 H new ATOM 0 HB3 LEU A 44 3.510 -0.827 -1.080 1.00 0.34 H new ATOM 0 HG LEU A 44 2.358 -1.756 0.883 1.00 0.56 H new ATOM 0 HD11 LEU A 44 0.780 -0.335 2.122 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.463 0.199 2.341 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.382 1.091 1.245 1.00 0.72 H new ATOM 0 HD21 LEU A 44 0.078 -1.401 0.032 1.00 0.80 H new ATOM 0 HD22 LEU A 44 0.656 -0.014 -0.922 1.00 0.80 H new ATOM 0 HD23 LEU A 44 1.244 -1.653 -1.288 1.00 0.80 H new ATOM 657 N VAL A 45 4.301 0.196 3.032 1.00 0.22 N ATOM 658 CA VAL A 45 4.094 -0.162 4.402 1.00 0.22 C ATOM 659 C VAL A 45 2.845 0.595 4.831 1.00 0.20 C ATOM 660 O VAL A 45 2.640 1.736 4.402 1.00 0.24 O ATOM 661 CB VAL A 45 5.323 0.218 5.236 1.00 0.27 C ATOM 662 CG1 VAL A 45 4.944 0.493 6.691 1.00 0.34 C ATOM 663 CG2 VAL A 45 6.336 -0.923 5.183 1.00 0.39 C ATOM 0 H VAL A 45 4.235 1.204 2.890 1.00 0.22 H new ATOM 0 HA VAL A 45 3.959 -1.234 4.544 1.00 0.22 H new ATOM 0 HB VAL A 45 5.754 1.128 4.819 1.00 0.27 H new ATOM 0 HG11 VAL A 45 5.837 0.760 7.256 1.00 0.34 H new ATOM 0 HG12 VAL A 45 4.230 1.316 6.732 1.00 0.34 H new ATOM 0 HG13 VAL A 45 4.494 -0.400 7.125 1.00 0.34 H new ATOM 0 HG21 VAL A 45 7.213 -0.659 5.774 1.00 0.39 H new ATOM 0 HG22 VAL A 45 5.885 -1.829 5.588 1.00 0.39 H new ATOM 0 HG23 VAL A 45 6.635 -1.097 4.149 1.00 0.39 H new ATOM 673 N VAL A 46 2.019 -0.063 5.641 1.00 0.20 N ATOM 674 CA VAL A 46 0.797 0.489 6.191 1.00 0.19 C ATOM 675 C VAL A 46 0.776 0.172 7.670 1.00 0.19 C ATOM 676 O VAL A 46 1.146 -0.935 8.067 1.00 0.33 O ATOM 677 CB VAL A 46 -0.417 -0.156 5.512 1.00 0.30 C ATOM 678 CG1 VAL A 46 -1.724 0.156 6.240 1.00 0.70 C ATOM 679 CG2 VAL A 46 -0.565 0.374 4.096 1.00 0.27 C ATOM 0 H VAL A 46 2.192 -1.023 5.938 1.00 0.20 H new ATOM 0 HA VAL A 46 0.757 1.566 6.026 1.00 0.19 H new ATOM 0 HB VAL A 46 -0.239 -1.231 5.526 1.00 0.30 H new ATOM 0 HG11 VAL A 46 -2.553 -0.323 5.720 1.00 0.70 H new ATOM 0 HG12 VAL A 46 -1.670 -0.220 7.262 1.00 0.70 H new ATOM 0 HG13 VAL A 46 -1.882 1.234 6.258 1.00 0.70 H new ATOM 0 HG21 VAL A 46 -1.430 -0.090 3.622 1.00 0.27 H new ATOM 0 HG22 VAL A 46 -0.703 1.455 4.125 1.00 0.27 H new ATOM 0 HG23 VAL A 46 0.332 0.138 3.524 1.00 0.27 H new ATOM 689 N ASP A 47 0.284 1.129 8.452 1.00 0.18 N ATOM 690 CA ASP A 47 0.022 0.943 9.858 1.00 0.23 C ATOM 691 C ASP A 47 -1.492 0.941 10.019 1.00 0.27 C ATOM 692 O ASP A 47 -2.131 1.983 9.851 1.00 0.36 O ATOM 693 CB ASP A 47 0.696 2.052 10.658 1.00 0.34 C ATOM 694 CG ASP A 47 2.207 2.087 10.434 1.00 0.98 C ATOM 695 OD1 ASP A 47 2.623 2.699 9.424 1.00 2.66 O ATOM 696 OD2 ASP A 47 2.926 1.495 11.267 1.00 1.68 O ATOM 0 H ASP A 47 0.056 2.064 8.113 1.00 0.18 H new ATOM 0 HA ASP A 47 0.429 0.005 10.236 1.00 0.23 H new ATOM 0 HB2 ASP A 47 0.266 3.013 10.377 1.00 0.34 H new ATOM 0 HB3 ASP A 47 0.491 1.909 11.719 1.00 0.34 H new ATOM 701 N ALA A 48 -2.065 -0.240 10.269 1.00 0.28 N ATOM 702 CA ALA A 48 -3.504 -0.427 10.439 1.00 0.31 C ATOM 703 C ALA A 48 -3.789 -1.283 11.665 1.00 0.49 C ATOM 704 O ALA A 48 -3.356 -2.435 11.750 1.00 0.79 O ATOM 705 CB ALA A 48 -4.140 -1.066 9.202 1.00 0.37 C ATOM 0 H ALA A 48 -1.532 -1.105 10.360 1.00 0.28 H new ATOM 0 HA ALA A 48 -3.947 0.559 10.577 1.00 0.31 H new ATOM 0 HB1 ALA A 48 -5.211 -1.189 9.366 1.00 0.37 H new ATOM 0 HB2 ALA A 48 -3.977 -0.424 8.336 1.00 0.37 H new ATOM 0 HB3 ALA A 48 -3.686 -2.040 9.022 1.00 0.37 H new ATOM 711 N ASP A 49 -4.593 -0.727 12.567 1.00 0.46 N ATOM 712 CA ASP A 49 -4.891 -1.288 13.877 1.00 0.59 C ATOM 713 C ASP A 49 -6.302 -1.847 13.850 1.00 0.60 C ATOM 714 O ASP A 49 -7.184 -1.449 14.606 1.00 0.67 O ATOM 715 CB ASP A 49 -4.735 -0.200 14.938 1.00 0.69 C ATOM 716 CG ASP A 49 -3.289 0.241 15.045 1.00 1.28 C ATOM 717 OD1 ASP A 49 -2.872 1.075 14.207 1.00 2.41 O ATOM 718 OD2 ASP A 49 -2.624 -0.295 15.954 1.00 2.14 O ATOM 0 H ASP A 49 -5.071 0.158 12.398 1.00 0.46 H new ATOM 0 HA ASP A 49 -4.202 -2.095 14.124 1.00 0.59 H new ATOM 0 HB2 ASP A 49 -5.363 0.654 14.685 1.00 0.69 H new ATOM 0 HB3 ASP A 49 -5.079 -0.574 15.903 1.00 0.69 H new ATOM 723 N ASN A 50 -6.513 -2.766 12.914 1.00 0.56 N ATOM 724 CA ASN A 50 -7.794 -3.390 12.637 1.00 0.46 C ATOM 725 C ASN A 50 -7.474 -4.492 11.639 1.00 0.48 C ATOM 726 O ASN A 50 -6.841 -5.463 12.040 1.00 0.87 O ATOM 727 CB ASN A 50 -8.926 -2.409 12.228 1.00 0.62 C ATOM 728 CG ASN A 50 -8.531 -0.982 11.836 1.00 2.39 C ATOM 729 OD1 ASN A 50 -9.248 -0.038 12.146 1.00 3.21 O ATOM 730 ND2 ASN A 50 -7.415 -0.791 11.136 1.00 3.56 N ATOM 0 H ASN A 50 -5.767 -3.107 12.307 1.00 0.56 H new ATOM 0 HA ASN A 50 -8.244 -3.807 13.538 1.00 0.46 H new ATOM 0 HB2 ASN A 50 -9.463 -2.850 11.388 1.00 0.62 H new ATOM 0 HB3 ASN A 50 -9.629 -2.345 13.058 1.00 0.62 H new ATOM 0 HD21 ASN A 50 -7.147 0.151 10.851 1.00 3.56 H new ATOM 0 HD22 ASN A 50 -6.828 -1.586 10.885 1.00 3.56 H new ATOM 737 N ASP A 51 -7.820 -4.346 10.356 1.00 0.49 N ATOM 738 CA ASP A 51 -7.624 -5.430 9.406 1.00 0.68 C ATOM 739 C ASP A 51 -7.986 -4.978 8.000 1.00 0.55 C ATOM 740 O ASP A 51 -9.161 -4.783 7.696 1.00 0.86 O ATOM 741 CB ASP A 51 -8.503 -6.626 9.797 1.00 1.07 C ATOM 742 CG ASP A 51 -7.685 -7.881 10.100 1.00 1.64 C ATOM 743 OD1 ASP A 51 -6.645 -8.069 9.424 1.00 1.61 O ATOM 744 OD2 ASP A 51 -8.131 -8.648 10.978 1.00 3.03 O ATOM 0 H ASP A 51 -8.230 -3.499 9.962 1.00 0.49 H new ATOM 0 HA ASP A 51 -6.574 -5.722 9.425 1.00 0.68 H new ATOM 0 HB2 ASP A 51 -9.098 -6.364 10.672 1.00 1.07 H new ATOM 0 HB3 ASP A 51 -9.202 -6.839 8.988 1.00 1.07 H new ATOM 749 N ILE A 52 -6.979 -4.779 7.150 1.00 0.46 N ATOM 750 CA ILE A 52 -7.182 -4.247 5.812 1.00 0.35 C ATOM 751 C ILE A 52 -6.098 -4.677 4.839 1.00 0.35 C ATOM 752 O ILE A 52 -6.065 -4.158 3.739 1.00 0.30 O ATOM 753 CB ILE A 52 -7.217 -2.708 5.848 1.00 0.34 C ATOM 754 CG1 ILE A 52 -6.007 -2.106 6.580 1.00 0.42 C ATOM 755 CG2 ILE A 52 -8.496 -2.176 6.474 1.00 0.34 C ATOM 756 CD1 ILE A 52 -4.817 -1.918 5.649 1.00 0.42 C ATOM 0 H ILE A 52 -6.005 -4.983 7.373 1.00 0.46 H new ATOM 0 HA ILE A 52 -8.134 -4.649 5.465 1.00 0.35 H new ATOM 0 HB ILE A 52 -7.179 -2.397 4.804 1.00 0.34 H new ATOM 0 HG12 ILE A 52 -6.285 -1.145 7.012 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -5.722 -2.757 7.407 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -8.474 -1.086 6.477 1.00 0.34 H new ATOM 0 HG22 ILE A 52 -9.354 -2.520 5.897 1.00 0.34 H new ATOM 0 HG23 ILE A 52 -8.578 -2.540 7.498 1.00 0.34 H new ATOM 0 HD11 ILE A 52 -3.983 -1.490 6.206 1.00 0.42 H new ATOM 0 HD12 ILE A 52 -4.521 -2.883 5.237 1.00 0.42 H new ATOM 0 HD13 ILE A 52 -5.093 -1.246 4.837 1.00 0.42 H new ATOM 768 N ARG A 53 -5.176 -5.572 5.179 1.00 0.58 N ATOM 769 CA ARG A 53 -4.023 -5.763 4.288 1.00 0.43 C ATOM 770 C ARG A 53 -4.503 -6.404 2.990 1.00 0.34 C ATOM 771 O ARG A 53 -4.159 -5.981 1.891 1.00 0.30 O ATOM 772 CB ARG A 53 -2.912 -6.605 4.913 1.00 0.46 C ATOM 773 CG ARG A 53 -2.734 -6.374 6.415 1.00 0.79 C ATOM 774 CD ARG A 53 -1.754 -7.383 7.001 1.00 1.21 C ATOM 775 NE ARG A 53 -2.203 -7.735 8.364 1.00 1.77 N ATOM 776 CZ ARG A 53 -1.999 -8.872 9.045 1.00 2.26 C ATOM 777 NH1 ARG A 53 -1.251 -9.846 8.518 1.00 2.34 N ATOM 778 NH2 ARG A 53 -2.554 -9.013 10.256 1.00 2.88 N ATOM 0 H ARG A 53 -5.192 -6.152 6.018 1.00 0.58 H new ATOM 0 HA ARG A 53 -3.589 -4.782 4.096 1.00 0.43 H new ATOM 0 HB2 ARG A 53 -3.127 -7.660 4.740 1.00 0.46 H new ATOM 0 HB3 ARG A 53 -1.972 -6.384 4.407 1.00 0.46 H new ATOM 0 HG2 ARG A 53 -2.371 -5.362 6.592 1.00 0.79 H new ATOM 0 HG3 ARG A 53 -3.697 -6.460 6.918 1.00 0.79 H new ATOM 0 HD2 ARG A 53 -1.708 -8.274 6.375 1.00 1.21 H new ATOM 0 HD3 ARG A 53 -0.749 -6.962 7.030 1.00 1.21 H new ATOM 0 HE ARG A 53 -2.740 -7.018 8.852 1.00 1.77 H new ATOM 0 HH11 ARG A 53 -0.833 -9.726 7.595 1.00 2.34 H new ATOM 0 HH12 ARG A 53 -1.098 -10.710 9.039 1.00 2.34 H new ATOM 0 HH21 ARG A 53 -3.122 -8.262 10.647 1.00 2.88 H new ATOM 0 HH22 ARG A 53 -2.408 -9.872 10.787 1.00 2.88 H new ATOM 792 N ALA A 54 -5.380 -7.393 3.150 1.00 0.39 N ATOM 793 CA ALA A 54 -6.075 -8.018 2.046 1.00 0.36 C ATOM 794 C ALA A 54 -6.943 -6.997 1.285 1.00 0.33 C ATOM 795 O ALA A 54 -7.141 -7.103 0.074 1.00 0.44 O ATOM 796 CB ALA A 54 -6.833 -9.226 2.575 1.00 0.46 C ATOM 0 H ALA A 54 -5.625 -7.781 4.061 1.00 0.39 H new ATOM 0 HA ALA A 54 -5.371 -8.382 1.298 1.00 0.36 H new ATOM 0 HB1 ALA A 54 -7.364 -9.710 1.755 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -6.130 -9.931 3.019 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -7.549 -8.904 3.331 1.00 0.46 H new ATOM 802 N GLN A 55 -7.426 -5.957 1.980 1.00 0.29 N ATOM 803 CA GLN A 55 -8.075 -4.829 1.326 1.00 0.28 C ATOM 804 C GLN A 55 -7.068 -4.020 0.511 1.00 0.27 C ATOM 805 O GLN A 55 -7.330 -3.699 -0.645 1.00 0.30 O ATOM 806 CB GLN A 55 -8.876 -3.957 2.298 1.00 0.32 C ATOM 807 CG GLN A 55 -10.036 -4.727 2.939 1.00 1.02 C ATOM 808 CD GLN A 55 -10.787 -3.855 3.942 1.00 1.41 C ATOM 809 OE1 GLN A 55 -10.916 -2.649 3.757 1.00 2.86 O ATOM 810 NE2 GLN A 55 -11.269 -4.449 5.027 1.00 1.19 N ATOM 0 H GLN A 55 -7.376 -5.881 2.996 1.00 0.29 H new ATOM 0 HA GLN A 55 -8.809 -5.238 0.632 1.00 0.28 H new ATOM 0 HB2 GLN A 55 -8.214 -3.583 3.079 1.00 0.32 H new ATOM 0 HB3 GLN A 55 -9.267 -3.088 1.768 1.00 0.32 H new ATOM 0 HG2 GLN A 55 -10.722 -5.068 2.164 1.00 1.02 H new ATOM 0 HG3 GLN A 55 -9.653 -5.616 3.440 1.00 1.02 H new ATOM 0 HE21 GLN A 55 -11.147 -5.454 5.155 1.00 1.19 H new ATOM 0 HE22 GLN A 55 -11.761 -3.901 5.733 1.00 1.19 H new ATOM 819 N VAL A 56 -5.914 -3.703 1.097 1.00 0.26 N ATOM 820 CA VAL A 56 -4.868 -2.924 0.468 1.00 0.26 C ATOM 821 C VAL A 56 -4.452 -3.598 -0.827 1.00 0.23 C ATOM 822 O VAL A 56 -4.421 -2.961 -1.872 1.00 0.24 O ATOM 823 CB VAL A 56 -3.667 -2.735 1.379 1.00 0.29 C ATOM 824 CG1 VAL A 56 -2.455 -2.231 0.581 1.00 0.38 C ATOM 825 CG2 VAL A 56 -4.022 -1.718 2.454 1.00 0.32 C ATOM 0 H VAL A 56 -5.683 -3.992 2.047 1.00 0.26 H new ATOM 0 HA VAL A 56 -5.264 -1.931 0.258 1.00 0.26 H new ATOM 0 HB VAL A 56 -3.409 -3.692 1.832 1.00 0.29 H new ATOM 0 HG11 VAL A 56 -1.606 -2.102 1.252 1.00 0.38 H new ATOM 0 HG12 VAL A 56 -2.201 -2.957 -0.191 1.00 0.38 H new ATOM 0 HG13 VAL A 56 -2.698 -1.276 0.115 1.00 0.38 H new ATOM 0 HG21 VAL A 56 -3.167 -1.574 3.115 1.00 0.32 H new ATOM 0 HG22 VAL A 56 -4.283 -0.769 1.985 1.00 0.32 H new ATOM 0 HG23 VAL A 56 -4.871 -2.082 3.033 1.00 0.32 H new ATOM 835 N GLU A 57 -4.106 -4.881 -0.756 1.00 0.24 N ATOM 836 CA GLU A 57 -3.609 -5.594 -1.916 1.00 0.27 C ATOM 837 C GLU A 57 -4.663 -5.599 -3.026 1.00 0.27 C ATOM 838 O GLU A 57 -4.355 -5.242 -4.162 1.00 0.30 O ATOM 839 CB GLU A 57 -3.079 -6.963 -1.489 1.00 0.37 C ATOM 840 CG GLU A 57 -4.138 -7.963 -1.057 1.00 0.83 C ATOM 841 CD GLU A 57 -3.530 -9.253 -0.512 1.00 1.45 C ATOM 842 OE1 GLU A 57 -2.283 -9.320 -0.441 1.00 2.33 O ATOM 843 OE2 GLU A 57 -4.333 -10.151 -0.182 1.00 2.41 O ATOM 0 H GLU A 57 -4.163 -5.442 0.094 1.00 0.24 H new ATOM 0 HA GLU A 57 -2.753 -5.085 -2.359 1.00 0.27 H new ATOM 0 HB2 GLU A 57 -2.515 -7.391 -2.318 1.00 0.37 H new ATOM 0 HB3 GLU A 57 -2.378 -6.823 -0.666 1.00 0.37 H new ATOM 0 HG2 GLU A 57 -4.771 -7.511 -0.293 1.00 0.83 H new ATOM 0 HG3 GLU A 57 -4.781 -8.197 -1.906 1.00 0.83 H new ATOM 850 N SER A 58 -5.925 -5.900 -2.684 1.00 0.28 N ATOM 851 CA SER A 58 -7.040 -5.739 -3.614 1.00 0.33 C ATOM 852 C SER A 58 -7.062 -4.314 -4.177 1.00 0.30 C ATOM 853 O SER A 58 -7.252 -4.122 -5.375 1.00 0.36 O ATOM 854 CB SER A 58 -8.377 -6.084 -2.934 1.00 0.40 C ATOM 855 OG SER A 58 -9.438 -6.143 -3.885 1.00 1.01 O ATOM 0 H SER A 58 -6.194 -6.257 -1.767 1.00 0.28 H new ATOM 0 HA SER A 58 -6.900 -6.433 -4.443 1.00 0.33 H new ATOM 0 HB2 SER A 58 -8.291 -7.042 -2.421 1.00 0.40 H new ATOM 0 HB3 SER A 58 -8.606 -5.336 -2.175 1.00 0.40 H new ATOM 0 HG SER A 58 -10.120 -6.775 -3.575 1.00 1.01 H new ATOM 861 N ALA A 59 -6.889 -3.311 -3.315 1.00 0.28 N ATOM 862 CA ALA A 59 -7.056 -1.907 -3.676 1.00 0.35 C ATOM 863 C ALA A 59 -5.984 -1.475 -4.672 1.00 0.36 C ATOM 864 O ALA A 59 -6.282 -0.885 -5.705 1.00 0.42 O ATOM 865 CB ALA A 59 -7.036 -1.023 -2.425 1.00 0.41 C ATOM 0 H ALA A 59 -6.627 -3.454 -2.340 1.00 0.28 H new ATOM 0 HA ALA A 59 -8.027 -1.788 -4.157 1.00 0.35 H new ATOM 0 HB1 ALA A 59 -7.162 0.020 -2.715 1.00 0.41 H new ATOM 0 HB2 ALA A 59 -7.848 -1.315 -1.760 1.00 0.41 H new ATOM 0 HB3 ALA A 59 -6.083 -1.144 -1.909 1.00 0.41 H new ATOM 871 N LEU A 60 -4.727 -1.785 -4.368 1.00 0.30 N ATOM 872 CA LEU A 60 -3.592 -1.528 -5.236 1.00 0.32 C ATOM 873 C LEU A 60 -3.734 -2.309 -6.535 1.00 0.33 C ATOM 874 O LEU A 60 -3.502 -1.767 -7.613 1.00 0.38 O ATOM 875 CB LEU A 60 -2.300 -1.910 -4.510 1.00 0.30 C ATOM 876 CG LEU A 60 -1.573 -0.656 -4.014 1.00 0.29 C ATOM 877 CD1 LEU A 60 -2.396 0.113 -2.989 1.00 0.37 C ATOM 878 CD2 LEU A 60 -0.323 -1.036 -3.251 1.00 0.46 C ATOM 0 H LEU A 60 -4.468 -2.233 -3.489 1.00 0.30 H new ATOM 0 HA LEU A 60 -3.557 -0.467 -5.483 1.00 0.32 H new ATOM 0 HB2 LEU A 60 -2.529 -2.562 -3.667 1.00 0.30 H new ATOM 0 HB3 LEU A 60 -1.651 -2.472 -5.181 1.00 0.30 H new ATOM 0 HG LEU A 60 -1.375 -0.065 -4.908 1.00 0.29 H new ATOM 0 HD11 LEU A 60 -1.842 0.994 -2.665 1.00 0.37 H new ATOM 0 HD12 LEU A 60 -3.340 0.422 -3.438 1.00 0.37 H new ATOM 0 HD13 LEU A 60 -2.596 -0.526 -2.129 1.00 0.37 H new ATOM 0 HD21 LEU A 60 0.181 -0.133 -2.906 1.00 0.46 H new ATOM 0 HD22 LEU A 60 -0.593 -1.651 -2.393 1.00 0.46 H new ATOM 0 HD23 LEU A 60 0.345 -1.598 -3.904 1.00 0.46 H new ATOM 890 N GLN A 61 -4.116 -3.581 -6.447 1.00 0.31 N ATOM 891 CA GLN A 61 -4.342 -4.392 -7.628 1.00 0.37 C ATOM 892 C GLN A 61 -5.412 -3.743 -8.515 1.00 0.45 C ATOM 893 O GLN A 61 -5.236 -3.648 -9.726 1.00 0.51 O ATOM 894 CB GLN A 61 -4.665 -5.822 -7.189 1.00 0.37 C ATOM 895 CG GLN A 61 -4.870 -6.749 -8.384 1.00 0.57 C ATOM 896 CD GLN A 61 -4.702 -8.207 -7.974 1.00 1.00 C ATOM 897 OE1 GLN A 61 -5.677 -8.925 -7.782 1.00 1.44 O ATOM 898 NE2 GLN A 61 -3.457 -8.655 -7.830 1.00 1.31 N ATOM 0 H GLN A 61 -4.274 -4.068 -5.565 1.00 0.31 H new ATOM 0 HA GLN A 61 -3.448 -4.449 -8.249 1.00 0.37 H new ATOM 0 HB2 GLN A 61 -3.854 -6.203 -6.568 1.00 0.37 H new ATOM 0 HB3 GLN A 61 -5.564 -5.819 -6.573 1.00 0.37 H new ATOM 0 HG2 GLN A 61 -5.865 -6.597 -8.802 1.00 0.57 H new ATOM 0 HG3 GLN A 61 -4.154 -6.502 -9.168 1.00 0.57 H new ATOM 0 HE21 GLN A 61 -2.668 -8.031 -7.998 1.00 1.31 H new ATOM 0 HE22 GLN A 61 -3.292 -9.622 -7.552 1.00 1.31 H new ATOM 907 N LYS A 62 -6.491 -3.245 -7.908 1.00 0.46 N ATOM 908 CA LYS A 62 -7.525 -2.492 -8.609 1.00 0.56 C ATOM 909 C LYS A 62 -6.969 -1.197 -9.212 1.00 0.59 C ATOM 910 O LYS A 62 -7.254 -0.881 -10.364 1.00 0.66 O ATOM 911 CB LYS A 62 -8.710 -2.242 -7.681 1.00 0.63 C ATOM 912 CG LYS A 62 -9.546 -3.526 -7.632 1.00 0.94 C ATOM 913 CD LYS A 62 -10.389 -3.512 -6.366 1.00 1.44 C ATOM 914 CE LYS A 62 -11.349 -4.708 -6.324 1.00 2.07 C ATOM 915 NZ LYS A 62 -11.724 -5.059 -4.939 1.00 2.90 N ATOM 0 H LYS A 62 -6.670 -3.355 -6.910 1.00 0.46 H new ATOM 0 HA LYS A 62 -7.882 -3.087 -9.450 1.00 0.56 H new ATOM 0 HB2 LYS A 62 -8.364 -1.973 -6.683 1.00 0.63 H new ATOM 0 HB3 LYS A 62 -9.311 -1.409 -8.045 1.00 0.63 H new ATOM 0 HG2 LYS A 62 -10.186 -3.594 -8.511 1.00 0.94 H new ATOM 0 HG3 LYS A 62 -8.896 -4.401 -7.643 1.00 0.94 H new ATOM 0 HD2 LYS A 62 -9.738 -3.535 -5.492 1.00 1.44 H new ATOM 0 HD3 LYS A 62 -10.958 -2.584 -6.315 1.00 1.44 H new ATOM 0 HE2 LYS A 62 -12.247 -4.474 -6.896 1.00 2.07 H new ATOM 0 HE3 LYS A 62 -10.881 -5.568 -6.803 1.00 2.07 H new ATOM 0 HZ1 LYS A 62 -12.373 -5.871 -4.950 1.00 2.90 H new ATOM 0 HZ2 LYS A 62 -10.870 -5.306 -4.400 1.00 2.90 H new ATOM 0 HZ3 LYS A 62 -12.194 -4.247 -4.490 1.00 2.90 H new ATOM 929 N ALA A 63 -6.182 -0.444 -8.440 1.00 0.55 N ATOM 930 CA ALA A 63 -5.549 0.788 -8.898 1.00 0.58 C ATOM 931 C ALA A 63 -4.590 0.523 -10.065 1.00 0.59 C ATOM 932 O ALA A 63 -4.430 1.380 -10.931 1.00 0.72 O ATOM 933 CB ALA A 63 -4.837 1.475 -7.729 1.00 0.57 C ATOM 0 H ALA A 63 -5.966 -0.677 -7.471 1.00 0.55 H new ATOM 0 HA ALA A 63 -6.323 1.459 -9.271 1.00 0.58 H new ATOM 0 HB1 ALA A 63 -4.367 2.394 -8.079 1.00 0.57 H new ATOM 0 HB2 ALA A 63 -5.562 1.712 -6.950 1.00 0.57 H new ATOM 0 HB3 ALA A 63 -4.075 0.809 -7.325 1.00 0.57 H new ATOM 939 N GLY A 64 -3.963 -0.657 -10.084 1.00 0.49 N ATOM 940 CA GLY A 64 -3.190 -1.173 -11.205 1.00 0.51 C ATOM 941 C GLY A 64 -1.737 -1.461 -10.833 1.00 0.44 C ATOM 942 O GLY A 64 -0.844 -1.286 -11.660 1.00 0.46 O ATOM 0 H GLY A 64 -3.984 -1.297 -9.290 1.00 0.49 H new ATOM 0 HA2 GLY A 64 -3.655 -2.088 -11.572 1.00 0.51 H new ATOM 0 HA3 GLY A 64 -3.216 -0.452 -12.022 1.00 0.51 H new ATOM 946 N TYR A 65 -1.489 -1.917 -9.603 1.00 0.45 N ATOM 947 CA TYR A 65 -0.189 -2.382 -9.148 1.00 0.39 C ATOM 948 C TYR A 65 -0.187 -3.911 -9.106 1.00 0.35 C ATOM 949 O TYR A 65 -1.216 -4.546 -9.322 1.00 0.62 O ATOM 950 CB TYR A 65 0.107 -1.758 -7.782 1.00 0.40 C ATOM 951 CG TYR A 65 0.292 -0.254 -7.851 1.00 0.53 C ATOM 952 CD1 TYR A 65 -0.835 0.589 -7.851 1.00 1.81 C ATOM 953 CD2 TYR A 65 1.567 0.285 -8.099 1.00 1.98 C ATOM 954 CE1 TYR A 65 -0.698 1.954 -8.159 1.00 1.77 C ATOM 955 CE2 TYR A 65 1.705 1.656 -8.376 1.00 2.05 C ATOM 956 CZ TYR A 65 0.573 2.482 -8.436 1.00 0.66 C ATOM 957 OH TYR A 65 0.731 3.807 -8.708 1.00 0.77 O ATOM 0 H TYR A 65 -2.209 -1.972 -8.882 1.00 0.45 H new ATOM 0 HA TYR A 65 0.601 -2.075 -9.833 1.00 0.39 H new ATOM 0 HB2 TYR A 65 -0.710 -1.988 -7.098 1.00 0.40 H new ATOM 0 HB3 TYR A 65 1.007 -2.212 -7.368 1.00 0.40 H new ATOM 0 HD1 TYR A 65 -1.808 0.186 -7.614 1.00 1.81 H new ATOM 0 HD2 TYR A 65 2.438 -0.353 -8.077 1.00 1.98 H new ATOM 0 HE1 TYR A 65 -1.568 2.594 -8.182 1.00 1.77 H new ATOM 0 HE2 TYR A 65 2.686 2.075 -8.543 1.00 2.05 H new ATOM 0 HH TYR A 65 0.044 4.322 -8.236 1.00 0.77 H new ATOM 967 N SER A 66 0.977 -4.508 -8.846 1.00 0.35 N ATOM 968 CA SER A 66 1.165 -5.954 -8.855 1.00 0.40 C ATOM 969 C SER A 66 1.939 -6.350 -7.605 1.00 0.44 C ATOM 970 O SER A 66 3.050 -6.864 -7.705 1.00 0.69 O ATOM 971 CB SER A 66 1.914 -6.367 -10.130 1.00 0.58 C ATOM 972 OG SER A 66 1.152 -6.032 -11.273 1.00 1.64 O ATOM 0 H SER A 66 1.826 -3.990 -8.620 1.00 0.35 H new ATOM 0 HA SER A 66 0.203 -6.467 -8.851 1.00 0.40 H new ATOM 0 HB2 SER A 66 2.882 -5.868 -10.170 1.00 0.58 H new ATOM 0 HB3 SER A 66 2.109 -7.439 -10.115 1.00 0.58 H new ATOM 0 HG SER A 66 1.639 -6.298 -12.081 1.00 1.64 H new ATOM 978 N LEU A 67 1.372 -6.064 -6.429 1.00 0.32 N ATOM 979 CA LEU A 67 2.075 -6.310 -5.181 1.00 0.33 C ATOM 980 C LEU A 67 1.973 -7.753 -4.716 1.00 0.36 C ATOM 981 O LEU A 67 1.239 -8.562 -5.285 1.00 0.40 O ATOM 982 CB LEU A 67 1.674 -5.284 -4.105 1.00 0.32 C ATOM 983 CG LEU A 67 0.280 -5.389 -3.477 1.00 0.50 C ATOM 984 CD1 LEU A 67 0.128 -6.672 -2.668 1.00 1.93 C ATOM 985 CD2 LEU A 67 0.097 -4.214 -2.506 1.00 2.02 C ATOM 0 H LEU A 67 0.439 -5.667 -6.322 1.00 0.32 H new ATOM 0 HA LEU A 67 3.138 -6.161 -5.372 1.00 0.33 H new ATOM 0 HB2 LEU A 67 2.406 -5.345 -3.300 1.00 0.32 H new ATOM 0 HB3 LEU A 67 1.766 -4.291 -4.544 1.00 0.32 H new ATOM 0 HG LEU A 67 -0.457 -5.381 -4.280 1.00 0.50 H new ATOM 0 HD11 LEU A 67 -0.872 -6.714 -2.237 1.00 1.93 H new ATOM 0 HD12 LEU A 67 0.279 -7.533 -3.319 1.00 1.93 H new ATOM 0 HD13 LEU A 67 0.869 -6.688 -1.868 1.00 1.93 H new ATOM 0 HD21 LEU A 67 -0.891 -4.271 -2.048 1.00 2.02 H new ATOM 0 HD22 LEU A 67 0.860 -4.261 -1.729 1.00 2.02 H new ATOM 0 HD23 LEU A 67 0.191 -3.274 -3.050 1.00 2.02 H new ATOM 997 N ARG A 68 2.712 -8.050 -3.648 1.00 0.36 N ATOM 998 CA ARG A 68 2.600 -9.295 -2.917 1.00 0.39 C ATOM 999 C ARG A 68 2.753 -8.981 -1.427 1.00 0.39 C ATOM 1000 O ARG A 68 3.535 -8.094 -1.075 1.00 0.39 O ATOM 1001 CB ARG A 68 3.698 -10.238 -3.421 1.00 0.44 C ATOM 1002 CG ARG A 68 3.479 -11.690 -3.002 1.00 0.59 C ATOM 1003 CD ARG A 68 2.494 -12.398 -3.943 1.00 1.33 C ATOM 1004 NE ARG A 68 2.258 -13.787 -3.518 1.00 1.82 N ATOM 1005 CZ ARG A 68 1.663 -14.728 -4.270 1.00 2.73 C ATOM 1006 NH1 ARG A 68 1.236 -14.427 -5.502 1.00 3.45 N ATOM 1007 NH2 ARG A 68 1.500 -15.966 -3.789 1.00 3.54 N ATOM 0 H ARG A 68 3.415 -7.417 -3.266 1.00 0.36 H new ATOM 0 HA ARG A 68 1.636 -9.780 -3.068 1.00 0.39 H new ATOM 0 HB2 ARG A 68 3.745 -10.183 -4.509 1.00 0.44 H new ATOM 0 HB3 ARG A 68 4.662 -9.898 -3.043 1.00 0.44 H new ATOM 0 HG2 ARG A 68 4.432 -12.219 -3.004 1.00 0.59 H new ATOM 0 HG3 ARG A 68 3.098 -11.723 -1.981 1.00 0.59 H new ATOM 0 HD2 ARG A 68 1.549 -11.855 -3.961 1.00 1.33 H new ATOM 0 HD3 ARG A 68 2.887 -12.388 -4.960 1.00 1.33 H new ATOM 0 HE ARG A 68 2.569 -14.055 -2.584 1.00 1.82 H new ATOM 0 HH11 ARG A 68 1.362 -13.484 -5.869 1.00 3.45 H new ATOM 0 HH12 ARG A 68 0.784 -15.141 -6.074 1.00 3.45 H new ATOM 0 HH21 ARG A 68 1.828 -16.196 -2.851 1.00 3.54 H new ATOM 0 HH22 ARG A 68 1.048 -16.680 -4.361 1.00 3.54 H new ATOM 1021 N ASP A 69 1.996 -9.694 -0.580 1.00 0.47 N ATOM 1022 CA ASP A 69 2.168 -9.725 0.871 1.00 0.51 C ATOM 1023 C ASP A 69 3.646 -9.777 1.250 1.00 0.48 C ATOM 1024 O ASP A 69 4.387 -10.593 0.698 1.00 0.68 O ATOM 1025 CB ASP A 69 1.416 -10.919 1.471 1.00 0.69 C ATOM 1026 CG ASP A 69 1.663 -10.984 2.975 1.00 1.51 C ATOM 1027 OD1 ASP A 69 2.688 -11.590 3.364 1.00 2.61 O ATOM 1028 OD2 ASP A 69 0.868 -10.367 3.713 1.00 2.42 O ATOM 0 H ASP A 69 1.226 -10.281 -0.900 1.00 0.47 H new ATOM 0 HA ASP A 69 1.750 -8.806 1.281 1.00 0.51 H new ATOM 0 HB2 ASP A 69 0.348 -10.825 1.273 1.00 0.69 H new ATOM 0 HB3 ASP A 69 1.748 -11.844 0.999 1.00 0.69 H new ATOM 1033 N GLU A 70 4.057 -8.913 2.183 1.00 0.49 N ATOM 1034 CA GLU A 70 5.319 -9.046 2.885 1.00 0.55 C ATOM 1035 C GLU A 70 5.074 -9.015 4.388 1.00 0.62 C ATOM 1036 O GLU A 70 5.667 -8.227 5.125 1.00 0.65 O ATOM 1037 CB GLU A 70 6.317 -7.987 2.399 1.00 0.58 C ATOM 1038 CG GLU A 70 7.401 -8.716 1.591 1.00 0.98 C ATOM 1039 CD GLU A 70 8.484 -7.812 1.029 1.00 1.22 C ATOM 1040 OE1 GLU A 70 8.423 -6.591 1.284 1.00 1.55 O ATOM 1041 OE2 GLU A 70 9.344 -8.368 0.304 1.00 2.70 O ATOM 0 H GLU A 70 3.513 -8.099 2.468 1.00 0.49 H new ATOM 0 HA GLU A 70 5.776 -10.010 2.662 1.00 0.55 H new ATOM 0 HB2 GLU A 70 5.815 -7.241 1.783 1.00 0.58 H new ATOM 0 HB3 GLU A 70 6.758 -7.458 3.244 1.00 0.58 H new ATOM 0 HG2 GLU A 70 7.867 -9.467 2.228 1.00 0.98 H new ATOM 0 HG3 GLU A 70 6.926 -9.248 0.767 1.00 0.98 H new ATOM 1048 N GLN A 71 4.251 -9.962 4.842 1.00 0.76 N ATOM 1049 CA GLN A 71 4.172 -10.331 6.239 1.00 0.87 C ATOM 1050 C GLN A 71 3.727 -9.134 7.094 1.00 0.46 C ATOM 1051 O GLN A 71 3.233 -8.128 6.575 1.00 1.16 O ATOM 1052 CB GLN A 71 5.481 -11.000 6.691 1.00 1.58 C ATOM 1053 CG GLN A 71 6.062 -12.027 5.700 1.00 2.18 C ATOM 1054 CD GLN A 71 5.241 -13.311 5.572 1.00 2.81 C ATOM 1055 OE1 GLN A 71 5.623 -14.340 6.117 1.00 3.80 O ATOM 1056 NE2 GLN A 71 4.131 -13.315 4.836 1.00 2.84 N ATOM 0 H GLN A 71 3.621 -10.492 4.240 1.00 0.76 H new ATOM 0 HA GLN A 71 3.397 -11.084 6.384 1.00 0.87 H new ATOM 0 HB2 GLN A 71 6.226 -10.224 6.866 1.00 1.58 H new ATOM 0 HB3 GLN A 71 5.307 -11.497 7.646 1.00 1.58 H new ATOM 0 HG2 GLN A 71 6.142 -11.561 4.718 1.00 2.18 H new ATOM 0 HG3 GLN A 71 7.073 -12.286 6.014 1.00 2.18 H new ATOM 0 HE21 GLN A 71 3.816 -12.457 4.384 1.00 2.84 H new ATOM 0 HE22 GLN A 71 3.596 -14.176 4.725 1.00 2.84 H new ATOM 1065 N ALA A 72 3.777 -9.278 8.421 1.00 0.70 N ATOM 1066 CA ALA A 72 3.224 -8.294 9.338 1.00 1.15 C ATOM 1067 C ALA A 72 4.274 -7.909 10.371 1.00 1.09 C ATOM 1068 O ALA A 72 4.178 -8.291 11.533 1.00 1.52 O ATOM 1069 CB ALA A 72 1.939 -8.840 9.961 1.00 1.93 C ATOM 0 H ALA A 72 4.203 -10.081 8.883 1.00 0.70 H new ATOM 0 HA ALA A 72 2.956 -7.381 8.806 1.00 1.15 H new ATOM 0 HB1 ALA A 72 1.526 -8.102 10.648 1.00 1.93 H new ATOM 0 HB2 ALA A 72 1.214 -9.050 9.175 1.00 1.93 H new ATOM 0 HB3 ALA A 72 2.160 -9.758 10.505 1.00 1.93 H new ATOM 1075 N ALA A 73 5.266 -7.129 9.932 1.00 0.97 N ATOM 1076 CA ALA A 73 6.359 -6.597 10.737 1.00 1.33 C ATOM 1077 C ALA A 73 7.411 -7.666 10.998 1.00 1.76 C ATOM 1078 O ALA A 73 8.579 -7.457 10.670 1.00 2.98 O ATOM 1079 CB ALA A 73 5.869 -5.954 12.042 1.00 1.71 C ATOM 0 H ALA A 73 5.328 -6.839 8.956 1.00 0.97 H new ATOM 0 HA ALA A 73 6.824 -5.799 10.159 1.00 1.33 H new ATOM 0 HB1 ALA A 73 6.723 -5.574 12.603 1.00 1.71 H new ATOM 0 HB2 ALA A 73 5.192 -5.132 11.811 1.00 1.71 H new ATOM 0 HB3 ALA A 73 5.344 -6.699 12.640 1.00 1.71 H new ATOM 1085 N GLU A 74 6.982 -8.780 11.589 1.00 2.32 N ATOM 1086 CA GLU A 74 7.697 -10.036 11.516 1.00 3.25 C ATOM 1087 C GLU A 74 7.489 -10.610 10.109 1.00 4.49 C ATOM 1088 O GLU A 74 8.394 -11.346 9.657 1.00 5.50 O ATOM 1089 CB GLU A 74 7.212 -10.978 12.633 1.00 4.33 C ATOM 1090 CG GLU A 74 5.698 -11.247 12.624 1.00 5.65 C ATOM 1091 CD GLU A 74 5.280 -12.171 13.760 1.00 7.19 C ATOM 1092 OE1 GLU A 74 5.510 -11.774 14.923 1.00 7.66 O ATOM 1093 OE2 GLU A 74 4.728 -13.249 13.452 1.00 8.28 O ATOM 1094 OXT GLU A 74 6.439 -10.278 9.502 1.00 5.33 O ATOM 0 H GLU A 74 6.121 -8.828 12.134 1.00 2.32 H new ATOM 0 HA GLU A 74 8.767 -9.902 11.676 1.00 3.25 H new ATOM 0 HB2 GLU A 74 7.738 -11.928 12.544 1.00 4.33 H new ATOM 0 HB3 GLU A 74 7.487 -10.550 13.597 1.00 4.33 H new ATOM 0 HG2 GLU A 74 5.161 -10.302 12.708 1.00 5.65 H new ATOM 0 HG3 GLU A 74 5.414 -11.692 11.670 1.00 5.65 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.592 6.407 -12.372 1.00 0.78 ZN