USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 25 THR OG1 : rot 153:sc= 0.746 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.648 USER MOD Set 2.1: A 27 HIS : no HD1:sc= 0 X(o=-0.034,f=0) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Set 3.1: A 4 LYS NZ :NH3+ -161:sc= 0.829 (180deg=0) USER MOD Set 3.2: A 14 SER OG : rot 99:sc= 1.94 USER MOD Single : A 3 MET CE :methyl 158:sc= -0.667 (180deg=-2.22!) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 1.18 (180deg=1.04) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.849 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.00085) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 26 ASN : amide:sc= -0.673 K(o=-0.67,f=-0.15) USER MOD Single : A 29 GLN : amide:sc= -9.47! C(o=-9.5!,f=-18!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0.751 (180deg=-0.503) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 77:sc= 1.23 USER MOD Single : A 70 SER OG : rot 180:sc= -0.208 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.283 K(o=0.28,f=-3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0218) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 0.941 (180deg=0.0426!) USER MOD Single : A 100 MET CE :methyl 163:sc= -0.91 (180deg=-1.72) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 12.114 -2.897 -8.203 1.00 0.00 N ATOM 41 CA MET A 3 11.894 -3.906 -7.186 1.00 0.00 C ATOM 42 C MET A 3 10.435 -3.829 -6.756 1.00 0.00 C ATOM 43 O MET A 3 9.759 -2.817 -6.934 1.00 0.00 O ATOM 44 CB MET A 3 12.888 -3.676 -6.025 1.00 0.00 C ATOM 45 CG MET A 3 12.535 -4.374 -4.698 1.00 0.00 C ATOM 46 SD MET A 3 13.865 -4.722 -3.513 1.00 0.00 S ATOM 47 CE MET A 3 15.108 -3.469 -3.937 1.00 0.00 C ATOM 0 HA MET A 3 12.077 -4.914 -7.559 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.874 -4.015 -6.342 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.963 -2.604 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.792 -3.760 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.053 -5.321 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.767 -3.307 -3.084 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.695 -3.812 -4.789 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.610 -2.534 -4.193 1.00 0.00 H new ATOM 57 N LYS A 4 9.932 -4.873 -6.117 1.00 0.00 N ATOM 58 CA LYS A 4 8.795 -4.721 -5.239 1.00 0.00 C ATOM 59 C LYS A 4 8.969 -5.684 -4.091 1.00 0.00 C ATOM 60 O LYS A 4 9.568 -6.754 -4.251 1.00 0.00 O ATOM 61 CB LYS A 4 7.515 -4.943 -6.056 1.00 0.00 C ATOM 62 CG LYS A 4 6.240 -5.200 -5.244 1.00 0.00 C ATOM 63 CD LYS A 4 5.016 -5.172 -6.162 1.00 0.00 C ATOM 64 CE LYS A 4 4.559 -3.736 -6.385 1.00 0.00 C ATOM 65 NZ LYS A 4 3.579 -3.629 -7.473 1.00 0.00 N ATOM 0 H LYS A 4 10.293 -5.824 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 4 8.718 -3.721 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.352 -4.068 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.675 -5.790 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.307 -6.166 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.137 -4.444 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.258 -5.637 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.207 -5.754 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.122 -3.349 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.423 -3.113 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.536 -2.645 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.863 -4.248 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.642 -3.918 -7.126 1.00 0.00 H new ATOM 79 N LYS A 5 8.467 -5.287 -2.928 1.00 0.00 N ATOM 80 CA LYS A 5 8.231 -6.196 -1.819 1.00 0.00 C ATOM 81 C LYS A 5 6.782 -6.028 -1.373 1.00 0.00 C ATOM 82 O LYS A 5 6.051 -5.210 -1.935 1.00 0.00 O ATOM 83 CB LYS A 5 9.281 -6.020 -0.702 1.00 0.00 C ATOM 84 CG LYS A 5 10.722 -6.221 -1.204 1.00 0.00 C ATOM 85 CD LYS A 5 11.244 -7.652 -1.054 1.00 0.00 C ATOM 86 CE LYS A 5 12.621 -7.800 -1.715 1.00 0.00 C ATOM 87 NZ LYS A 5 12.540 -7.825 -3.198 1.00 0.00 N ATOM 0 H LYS A 5 8.212 -4.320 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 5 8.362 -7.233 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.186 -5.022 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.077 -6.731 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.772 -5.936 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.382 -5.546 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.313 -7.910 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.541 -8.350 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.261 -6.974 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.092 -8.718 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.498 -7.773 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.084 -8.707 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.981 -7.013 -3.529 1.00 0.00 H new ATOM 101 N TYR A 6 6.359 -6.839 -0.416 1.00 0.00 N ATOM 102 CA TYR A 6 4.992 -6.975 0.063 1.00 0.00 C ATOM 103 C TYR A 6 5.014 -7.111 1.589 1.00 0.00 C ATOM 104 O TYR A 6 6.076 -7.358 2.165 1.00 0.00 O ATOM 105 CB TYR A 6 4.385 -8.239 -0.568 1.00 0.00 C ATOM 106 CG TYR A 6 4.278 -8.269 -2.084 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.413 -8.526 -2.877 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.027 -8.113 -2.706 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.313 -8.548 -4.275 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.908 -8.180 -4.102 1.00 0.00 C ATOM 111 CZ TYR A 6 4.055 -8.388 -4.896 1.00 0.00 C ATOM 112 OH TYR A 6 3.954 -8.420 -6.251 1.00 0.00 O ATOM 0 H TYR A 6 7.001 -7.459 0.078 1.00 0.00 H new ATOM 0 HA TYR A 6 4.396 -6.104 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.982 -9.095 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.386 -8.378 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.367 -8.707 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.148 -7.940 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.199 -8.687 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.940 -8.072 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 6 3.018 -8.295 -6.512 1.00 0.00 H new ATOM 122 N THR A 7 3.862 -7.006 2.260 1.00 0.00 N ATOM 123 CA THR A 7 3.779 -7.092 3.713 1.00 0.00 C ATOM 124 C THR A 7 2.695 -8.071 4.149 1.00 0.00 C ATOM 125 O THR A 7 1.942 -8.640 3.350 1.00 0.00 O ATOM 126 CB THR A 7 3.554 -5.714 4.353 1.00 0.00 C ATOM 127 OG1 THR A 7 2.193 -5.363 4.219 1.00 0.00 O ATOM 128 CG2 THR A 7 4.464 -4.628 3.798 1.00 0.00 C ATOM 0 H THR A 7 2.961 -6.859 1.805 1.00 0.00 H new ATOM 0 HA THR A 7 4.739 -7.468 4.066 1.00 0.00 H new ATOM 0 HB THR A 7 3.818 -5.792 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.039 -4.487 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.249 -3.683 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.505 -4.901 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.291 -4.521 2.727 1.00 0.00 H new ATOM 136 N LYS A 8 2.615 -8.234 5.464 1.00 0.00 N ATOM 137 CA LYS A 8 1.763 -9.190 6.144 1.00 0.00 C ATOM 138 C LYS A 8 0.310 -8.713 6.155 1.00 0.00 C ATOM 139 O LYS A 8 -0.594 -9.546 6.168 1.00 0.00 O ATOM 140 CB LYS A 8 2.302 -9.481 7.561 1.00 0.00 C ATOM 141 CG LYS A 8 3.842 -9.495 7.659 1.00 0.00 C ATOM 142 CD LYS A 8 4.348 -9.936 9.036 1.00 0.00 C ATOM 143 CE LYS A 8 3.963 -11.401 9.245 1.00 0.00 C ATOM 144 NZ LYS A 8 5.072 -12.196 9.812 1.00 0.00 N ATOM 0 H LYS A 8 3.170 -7.675 6.112 1.00 0.00 H new ATOM 0 HA LYS A 8 1.779 -10.132 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.912 -8.730 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.919 -10.446 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.243 -10.165 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.224 -8.498 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.429 -9.815 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.912 -9.314 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.101 -11.457 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.658 -11.834 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.765 -13.182 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.886 -12.166 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.347 -11.801 10.734 1.00 0.00 H new ATOM 158 N THR A 9 0.042 -7.408 6.069 1.00 0.00 N ATOM 159 CA THR A 9 -1.315 -6.885 5.889 1.00 0.00 C ATOM 160 C THR A 9 -1.740 -6.925 4.399 1.00 0.00 C ATOM 161 O THR A 9 -2.723 -6.303 4.012 1.00 0.00 O ATOM 162 CB THR A 9 -1.454 -5.537 6.638 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.754 -5.363 7.152 1.00 0.00 O ATOM 164 CG2 THR A 9 -1.013 -4.301 5.857 1.00 0.00 C ATOM 0 H THR A 9 0.759 -6.684 6.122 1.00 0.00 H new ATOM 0 HA THR A 9 -2.058 -7.530 6.358 1.00 0.00 H new ATOM 0 HB THR A 9 -0.744 -5.618 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.808 -4.504 7.620 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.152 -3.413 6.473 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.039 -4.396 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.611 -4.211 4.950 1.00 0.00 H new ATOM 172 N HIS A 10 -1.047 -7.708 3.554 1.00 0.00 N ATOM 173 CA HIS A 10 -1.352 -7.938 2.137 1.00 0.00 C ATOM 174 C HIS A 10 -1.189 -6.648 1.334 1.00 0.00 C ATOM 175 O HIS A 10 -2.113 -6.163 0.685 1.00 0.00 O ATOM 176 CB HIS A 10 -2.732 -8.587 1.924 1.00 0.00 C ATOM 177 CG HIS A 10 -3.135 -9.607 2.943 1.00 0.00 C ATOM 178 ND1 HIS A 10 -2.754 -10.934 2.985 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.986 -9.365 3.979 1.00 0.00 C ATOM 180 CE1 HIS A 10 -3.392 -11.495 4.025 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.135 -10.561 4.644 1.00 0.00 N ATOM 0 H HIS A 10 -0.220 -8.221 3.858 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.627 -8.660 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.485 -7.799 1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.743 -9.058 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.451 -8.423 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.320 -12.532 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.714 -10.713 5.470 1.00 0.00 H new ATOM 190 N GLU A 11 0.013 -6.092 1.363 1.00 0.00 N ATOM 191 CA GLU A 11 0.384 -4.905 0.604 1.00 0.00 C ATOM 192 C GLU A 11 1.375 -5.261 -0.478 1.00 0.00 C ATOM 193 O GLU A 11 2.024 -6.298 -0.374 1.00 0.00 O ATOM 194 CB GLU A 11 1.088 -3.922 1.517 1.00 0.00 C ATOM 195 CG GLU A 11 0.146 -3.278 2.521 1.00 0.00 C ATOM 196 CD GLU A 11 0.985 -2.338 3.369 1.00 0.00 C ATOM 197 OE1 GLU A 11 1.654 -2.855 4.299 1.00 0.00 O ATOM 198 OE2 GLU A 11 1.069 -1.166 2.938 1.00 0.00 O ATOM 0 H GLU A 11 0.777 -6.462 1.929 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.526 -4.483 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.886 -4.436 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.557 -3.144 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.649 -2.733 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.334 -4.035 3.142 1.00 0.00 H new ATOM 205 N TRP A 12 1.568 -4.346 -1.425 1.00 0.00 N ATOM 206 CA TRP A 12 2.633 -4.357 -2.417 1.00 0.00 C ATOM 207 C TRP A 12 3.304 -2.976 -2.454 1.00 0.00 C ATOM 208 O TRP A 12 2.657 -1.974 -2.158 1.00 0.00 O ATOM 209 CB TRP A 12 2.007 -4.714 -3.765 1.00 0.00 C ATOM 210 CG TRP A 12 0.889 -3.830 -4.216 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.423 -4.135 -4.145 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.952 -2.501 -4.812 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.175 -3.106 -4.662 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.372 -2.097 -5.127 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.979 -1.593 -5.141 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.648 -0.904 -5.793 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.696 -0.367 -5.761 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.385 -0.022 -6.105 1.00 0.00 C ATOM 0 H TRP A 12 0.954 -3.538 -1.524 1.00 0.00 H new ATOM 0 HA TRP A 12 3.401 -5.091 -2.172 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.789 -4.695 -4.524 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.637 -5.738 -3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.824 -5.053 -3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.194 -3.095 -4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.003 -1.846 -4.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.664 -0.663 -6.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.501 0.320 -5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.177 0.913 -6.604 1.00 0.00 H new ATOM 229 N VAL A 13 4.581 -2.900 -2.839 1.00 0.00 N ATOM 230 CA VAL A 13 5.454 -1.727 -2.704 1.00 0.00 C ATOM 231 C VAL A 13 6.220 -1.567 -4.032 1.00 0.00 C ATOM 232 O VAL A 13 7.264 -2.178 -4.225 1.00 0.00 O ATOM 233 CB VAL A 13 6.418 -1.974 -1.495 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.156 -0.707 -1.080 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.829 -2.589 -0.203 1.00 0.00 C ATOM 0 H VAL A 13 5.058 -3.690 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 13 4.897 -0.810 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 13 7.074 -2.732 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.812 -0.927 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.750 -0.341 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.434 0.055 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.618 -2.698 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.050 -1.935 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.403 -3.567 -0.427 1.00 0.00 H new ATOM 245 N SER A 14 5.679 -0.823 -4.996 1.00 0.00 N ATOM 246 CA SER A 14 6.215 -0.633 -6.352 1.00 0.00 C ATOM 247 C SER A 14 7.456 0.261 -6.384 1.00 0.00 C ATOM 248 O SER A 14 7.339 1.453 -6.651 1.00 0.00 O ATOM 249 CB SER A 14 5.142 0.045 -7.194 1.00 0.00 C ATOM 250 OG SER A 14 4.161 -0.857 -7.659 1.00 0.00 O ATOM 0 H SER A 14 4.811 -0.308 -4.849 1.00 0.00 H new ATOM 0 HA SER A 14 6.496 -1.615 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.661 0.825 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.612 0.535 -8.047 1.00 0.00 H new ATOM 0 HG SER A 14 3.369 -0.803 -7.085 1.00 0.00 H new ATOM 256 N ILE A 15 8.638 -0.279 -6.108 1.00 0.00 N ATOM 257 CA ILE A 15 9.877 0.486 -6.042 1.00 0.00 C ATOM 258 C ILE A 15 10.484 0.563 -7.443 1.00 0.00 C ATOM 259 O ILE A 15 10.699 -0.450 -8.104 1.00 0.00 O ATOM 260 CB ILE A 15 10.836 -0.174 -5.027 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.245 -0.117 -3.608 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.262 0.417 -5.096 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.342 1.214 -2.943 1.00 0.00 C ATOM 0 H ILE A 15 8.764 -1.274 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 15 9.688 1.503 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 15 10.938 -1.224 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.196 -0.408 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.754 -0.855 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.898 -0.080 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.671 0.264 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.224 1.484 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.900 1.157 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.390 1.503 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.808 1.957 -3.535 1.00 0.00 H new ATOM 275 N GLU A 16 10.793 1.766 -7.911 1.00 0.00 N ATOM 276 CA GLU A 16 11.189 1.977 -9.308 1.00 0.00 C ATOM 277 C GLU A 16 12.306 3.014 -9.462 1.00 0.00 C ATOM 278 O GLU A 16 13.097 2.931 -10.401 1.00 0.00 O ATOM 279 CB GLU A 16 9.936 2.256 -10.159 1.00 0.00 C ATOM 280 CG GLU A 16 8.883 3.145 -9.476 1.00 0.00 C ATOM 281 CD GLU A 16 7.619 3.271 -10.318 1.00 0.00 C ATOM 282 OE1 GLU A 16 6.881 2.268 -10.476 1.00 0.00 O ATOM 283 OE2 GLU A 16 7.354 4.402 -10.795 1.00 0.00 O ATOM 0 H GLU A 16 10.779 2.615 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 16 11.643 1.063 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.244 2.731 -11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.473 1.305 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.631 2.727 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.302 4.135 -9.299 1.00 0.00 H new ATOM 290 N ASP A 17 12.481 3.891 -8.477 1.00 0.00 N ATOM 291 CA ASP A 17 13.727 4.612 -8.226 1.00 0.00 C ATOM 292 C ASP A 17 13.831 4.639 -6.705 1.00 0.00 C ATOM 293 O ASP A 17 13.953 3.587 -6.079 1.00 0.00 O ATOM 294 CB ASP A 17 13.705 6.008 -8.883 1.00 0.00 C ATOM 295 CG ASP A 17 14.913 6.874 -8.510 1.00 0.00 C ATOM 296 OD1 ASP A 17 16.053 6.581 -8.941 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.684 7.868 -7.782 1.00 0.00 O ATOM 0 H ASP A 17 11.742 4.126 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 17 14.606 4.140 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.671 5.891 -9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.792 6.525 -8.590 1.00 0.00 H new ATOM 302 N LYS A 18 13.568 5.795 -6.106 1.00 0.00 N ATOM 303 CA LYS A 18 13.532 6.021 -4.667 1.00 0.00 C ATOM 304 C LYS A 18 12.115 6.305 -4.195 1.00 0.00 C ATOM 305 O LYS A 18 11.933 6.668 -3.039 1.00 0.00 O ATOM 306 CB LYS A 18 14.489 7.158 -4.289 1.00 0.00 C ATOM 307 CG LYS A 18 15.935 6.784 -4.627 1.00 0.00 C ATOM 308 CD LYS A 18 16.877 7.954 -4.345 1.00 0.00 C ATOM 309 CE LYS A 18 18.133 7.751 -5.189 1.00 0.00 C ATOM 310 NZ LYS A 18 18.884 9.000 -5.381 1.00 0.00 N ATOM 0 H LYS A 18 13.364 6.641 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 18 13.864 5.114 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.209 8.067 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.403 7.373 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.238 5.917 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.006 6.499 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.397 8.900 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.130 7.995 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.776 7.013 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.853 7.345 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.728 8.812 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.281 9.697 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.175 9.376 -4.456 1.00 0.00 H new ATOM 324 N VAL A 19 11.106 6.126 -5.043 1.00 0.00 N ATOM 325 CA VAL A 19 9.715 6.143 -4.627 1.00 0.00 C ATOM 326 C VAL A 19 9.185 4.719 -4.769 1.00 0.00 C ATOM 327 O VAL A 19 9.561 3.997 -5.702 1.00 0.00 O ATOM 328 CB VAL A 19 8.928 7.207 -5.421 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.425 7.192 -5.106 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.439 8.618 -5.085 1.00 0.00 C ATOM 0 H VAL A 19 11.235 5.965 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 19 9.598 6.441 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 19 9.081 6.962 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.923 7.961 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.011 6.215 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.274 7.389 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.873 9.355 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.312 8.807 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.495 8.694 -5.343 1.00 0.00 H new ATOM 340 N ALA A 20 8.306 4.331 -3.843 1.00 0.00 N ATOM 341 CA ALA A 20 7.387 3.217 -3.998 1.00 0.00 C ATOM 342 C ALA A 20 5.986 3.766 -4.149 1.00 0.00 C ATOM 343 O ALA A 20 5.590 4.669 -3.404 1.00 0.00 O ATOM 344 CB ALA A 20 7.406 2.281 -2.794 1.00 0.00 C ATOM 0 H ALA A 20 8.216 4.800 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 20 7.697 2.648 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.703 1.464 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.409 1.876 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.119 2.833 -1.899 1.00 0.00 H new ATOM 350 N THR A 21 5.209 3.126 -5.013 1.00 0.00 N ATOM 351 CA THR A 21 3.758 3.200 -4.910 1.00 0.00 C ATOM 352 C THR A 21 3.274 2.127 -3.927 1.00 0.00 C ATOM 353 O THR A 21 3.760 0.994 -3.941 1.00 0.00 O ATOM 354 CB THR A 21 3.099 3.146 -6.304 1.00 0.00 C ATOM 355 OG1 THR A 21 3.728 4.047 -7.185 1.00 0.00 O ATOM 356 CG2 THR A 21 1.616 3.504 -6.248 1.00 0.00 C ATOM 0 H THR A 21 5.554 2.556 -5.785 1.00 0.00 H new ATOM 0 HA THR A 21 3.448 4.162 -4.502 1.00 0.00 H new ATOM 0 HB THR A 21 3.209 2.121 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.298 3.998 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.191 3.454 -7.251 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.096 2.800 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.500 4.514 -5.855 1.00 0.00 H new ATOM 364 N VAL A 22 2.350 2.533 -3.063 1.00 0.00 N ATOM 365 CA VAL A 22 1.713 1.824 -1.971 1.00 0.00 C ATOM 366 C VAL A 22 0.250 1.505 -2.312 1.00 0.00 C ATOM 367 O VAL A 22 -0.548 2.408 -2.588 1.00 0.00 O ATOM 368 CB VAL A 22 1.853 2.705 -0.699 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.344 2.050 0.585 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.308 3.167 -0.460 1.00 0.00 C ATOM 0 H VAL A 22 1.989 3.485 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 22 2.193 0.862 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 22 1.215 3.562 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.481 2.735 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.285 1.814 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.903 1.133 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.352 3.779 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.951 2.295 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.649 3.753 -1.314 1.00 0.00 H new ATOM 380 N GLY A 23 -0.117 0.223 -2.245 1.00 0.00 N ATOM 381 CA GLY A 23 -1.493 -0.257 -2.296 1.00 0.00 C ATOM 382 C GLY A 23 -1.610 -1.623 -1.613 1.00 0.00 C ATOM 383 O GLY A 23 -0.605 -2.243 -1.241 1.00 0.00 O ATOM 0 H GLY A 23 0.562 -0.532 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.153 0.459 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.820 -0.333 -3.333 1.00 0.00 H new ATOM 387 N ILE A 24 -2.840 -2.099 -1.420 1.00 0.00 N ATOM 388 CA ILE A 24 -3.110 -3.452 -0.929 1.00 0.00 C ATOM 389 C ILE A 24 -3.243 -4.396 -2.129 1.00 0.00 C ATOM 390 O ILE A 24 -3.640 -3.960 -3.206 1.00 0.00 O ATOM 391 CB ILE A 24 -4.320 -3.479 0.034 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.570 -2.747 -0.505 1.00 0.00 C ATOM 393 CG2 ILE A 24 -3.876 -2.872 1.380 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.869 -3.114 0.233 1.00 0.00 C ATOM 0 H ILE A 24 -3.683 -1.554 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.275 -3.806 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.627 -4.518 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.411 -1.671 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.687 -2.978 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.714 -2.880 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.056 -3.460 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.544 -1.846 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.702 -2.561 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.053 -4.184 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.773 -2.857 1.288 1.00 0.00 H new ATOM 406 N THR A 25 -2.859 -5.668 -1.994 1.00 0.00 N ATOM 407 CA THR A 25 -3.019 -6.660 -3.059 1.00 0.00 C ATOM 408 C THR A 25 -4.475 -7.125 -3.167 1.00 0.00 C ATOM 409 O THR A 25 -5.175 -7.102 -2.159 1.00 0.00 O ATOM 410 CB THR A 25 -2.101 -7.871 -2.817 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.277 -8.459 -1.546 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.615 -7.533 -2.933 1.00 0.00 C ATOM 0 H THR A 25 -2.430 -6.038 -1.146 1.00 0.00 H new ATOM 0 HA THR A 25 -2.737 -6.184 -3.998 1.00 0.00 H new ATOM 0 HB THR A 25 -2.396 -8.567 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.032 -9.407 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.023 -8.430 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.405 -7.156 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.356 -6.772 -2.197 1.00 0.00 H new ATOM 420 N ASN A 26 -4.864 -7.658 -4.342 1.00 0.00 N ATOM 421 CA ASN A 26 -6.121 -8.286 -4.867 1.00 0.00 C ATOM 422 C ASN A 26 -6.623 -9.521 -4.111 1.00 0.00 C ATOM 423 O ASN A 26 -7.407 -10.341 -4.591 1.00 0.00 O ATOM 424 CB ASN A 26 -5.744 -8.755 -6.268 1.00 0.00 C ATOM 425 CG ASN A 26 -6.897 -9.079 -7.206 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.920 -10.137 -7.838 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.836 -8.161 -7.346 1.00 0.00 N ATOM 0 H ASN A 26 -4.176 -7.662 -5.095 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.922 -7.551 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.132 -7.983 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.120 -9.644 -6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.610 -8.317 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.788 -7.296 -6.808 1.00 0.00 H new ATOM 434 N HIS A 27 -6.202 -9.607 -2.873 1.00 0.00 N ATOM 435 CA HIS A 27 -6.725 -10.464 -1.812 1.00 0.00 C ATOM 436 C HIS A 27 -7.512 -9.671 -0.751 1.00 0.00 C ATOM 437 O HIS A 27 -8.563 -10.114 -0.302 1.00 0.00 O ATOM 438 CB HIS A 27 -5.490 -11.180 -1.241 1.00 0.00 C ATOM 439 CG HIS A 27 -5.799 -12.443 -0.502 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.840 -13.709 -1.058 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.091 -12.533 0.827 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.167 -14.563 -0.072 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.315 -13.870 1.072 1.00 0.00 N ATOM 0 H HIS A 27 -5.422 -9.038 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.457 -11.179 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.807 -11.409 -2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.967 -10.499 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.137 -11.723 1.540 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.291 -15.630 -0.181 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.555 -14.272 1.978 1.00 0.00 H new ATOM 452 N ALA A 28 -7.042 -8.489 -0.373 1.00 0.00 N ATOM 453 CA ALA A 28 -7.553 -7.636 0.698 1.00 0.00 C ATOM 454 C ALA A 28 -8.894 -6.943 0.426 1.00 0.00 C ATOM 455 O ALA A 28 -9.790 -6.949 1.270 1.00 0.00 O ATOM 456 CB ALA A 28 -6.498 -6.553 0.814 1.00 0.00 C ATOM 0 H ALA A 28 -6.237 -8.070 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.734 -8.252 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.783 -5.850 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.538 -7.005 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.414 -6.024 -0.135 1.00 0.00 H new ATOM 462 N GLN A 29 -8.995 -6.260 -0.710 1.00 0.00 N ATOM 463 CA GLN A 29 -10.154 -5.605 -1.292 1.00 0.00 C ATOM 464 C GLN A 29 -11.384 -6.499 -1.138 1.00 0.00 C ATOM 465 O GLN A 29 -12.375 -6.036 -0.588 1.00 0.00 O ATOM 466 CB GLN A 29 -9.807 -5.146 -2.737 1.00 0.00 C ATOM 467 CG GLN A 29 -9.496 -6.158 -3.840 1.00 0.00 C ATOM 468 CD GLN A 29 -8.782 -7.358 -3.336 1.00 0.00 C ATOM 469 OE1 GLN A 29 -7.717 -7.247 -2.778 1.00 0.00 O ATOM 470 NE2 GLN A 29 -9.365 -8.518 -3.457 1.00 0.00 N ATOM 0 H GLN A 29 -8.176 -6.141 -1.307 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.421 -4.690 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.643 -4.541 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.945 -4.484 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.427 -6.468 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.891 -5.677 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.265 -8.589 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.921 -9.354 -3.076 1.00 0.00 H new ATOM 479 N GLU A 30 -11.280 -7.802 -1.434 1.00 0.00 N ATOM 480 CA GLU A 30 -12.333 -8.786 -1.266 1.00 0.00 C ATOM 481 C GLU A 30 -12.936 -8.761 0.154 1.00 0.00 C ATOM 482 O GLU A 30 -14.152 -8.702 0.354 1.00 0.00 O ATOM 483 CB GLU A 30 -11.709 -10.151 -1.596 1.00 0.00 C ATOM 484 CG GLU A 30 -12.641 -11.056 -2.383 1.00 0.00 C ATOM 485 CD GLU A 30 -14.098 -11.069 -1.919 1.00 0.00 C ATOM 486 OE1 GLU A 30 -14.410 -11.583 -0.825 1.00 0.00 O ATOM 487 OE2 GLU A 30 -14.970 -10.556 -2.664 1.00 0.00 O ATOM 0 H GLU A 30 -10.422 -8.205 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.168 -8.567 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.793 -9.997 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.426 -10.649 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.615 -10.753 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.255 -12.074 -2.336 1.00 0.00 H new ATOM 494 N GLN A 31 -12.071 -8.759 1.169 1.00 0.00 N ATOM 495 CA GLN A 31 -12.447 -8.828 2.578 1.00 0.00 C ATOM 496 C GLN A 31 -13.152 -7.544 3.036 1.00 0.00 C ATOM 497 O GLN A 31 -13.915 -7.585 4.000 1.00 0.00 O ATOM 498 CB GLN A 31 -11.198 -9.092 3.434 1.00 0.00 C ATOM 499 CG GLN A 31 -10.466 -10.394 3.056 1.00 0.00 C ATOM 500 CD GLN A 31 -8.986 -10.413 3.444 1.00 0.00 C ATOM 501 OE1 GLN A 31 -8.152 -10.917 2.691 1.00 0.00 O ATOM 502 NE2 GLN A 31 -8.629 -9.860 4.590 1.00 0.00 N ATOM 0 H GLN A 31 -11.062 -8.708 1.028 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.152 -9.650 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.510 -8.253 3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.488 -9.138 4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.968 -11.233 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.551 -10.547 1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.336 -9.448 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.647 -9.845 4.865 1.00 0.00 H new ATOM 511 N LEU A 32 -12.935 -6.413 2.350 1.00 0.00 N ATOM 512 CA LEU A 32 -13.723 -5.198 2.568 1.00 0.00 C ATOM 513 C LEU A 32 -14.970 -5.147 1.686 1.00 0.00 C ATOM 514 O LEU A 32 -15.982 -4.570 2.092 1.00 0.00 O ATOM 515 CB LEU A 32 -12.879 -3.943 2.319 1.00 0.00 C ATOM 516 CG LEU A 32 -11.728 -3.703 3.315 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.454 -2.202 3.418 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.957 -4.282 4.720 1.00 0.00 C ATOM 0 H LEU A 32 -12.214 -6.317 1.635 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.043 -5.224 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.459 -4.003 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.538 -3.075 2.338 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.869 -4.241 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.640 -2.028 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.175 -1.815 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.351 -1.691 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.094 -4.063 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.848 -3.833 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.091 -5.362 4.651 1.00 0.00 H new ATOM 530 N GLY A 33 -14.923 -5.780 0.516 1.00 0.00 N ATOM 531 CA GLY A 33 -15.921 -5.717 -0.530 1.00 0.00 C ATOM 532 C GLY A 33 -16.001 -4.310 -1.109 1.00 0.00 C ATOM 533 O GLY A 33 -14.979 -3.667 -1.362 1.00 0.00 O ATOM 0 H GLY A 33 -14.139 -6.383 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.674 -6.428 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.893 -6.008 -0.131 1.00 0.00 H new ATOM 537 N ASP A 34 -17.227 -3.840 -1.336 1.00 0.00 N ATOM 538 CA ASP A 34 -17.518 -2.519 -1.879 1.00 0.00 C ATOM 539 C ASP A 34 -17.002 -1.501 -0.872 1.00 0.00 C ATOM 540 O ASP A 34 -17.509 -1.433 0.253 1.00 0.00 O ATOM 541 CB ASP A 34 -19.024 -2.292 -2.120 1.00 0.00 C ATOM 542 CG ASP A 34 -19.702 -3.454 -2.839 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.523 -3.613 -4.065 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.390 -4.234 -2.132 1.00 0.00 O ATOM 0 H ASP A 34 -18.067 -4.385 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.033 -2.419 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.518 -2.129 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.158 -1.383 -2.706 1.00 0.00 H new ATOM 549 N VAL A 35 -15.972 -0.744 -1.247 1.00 0.00 N ATOM 550 CA VAL A 35 -15.526 0.384 -0.447 1.00 0.00 C ATOM 551 C VAL A 35 -16.343 1.625 -0.832 1.00 0.00 C ATOM 552 O VAL A 35 -17.386 1.557 -1.487 1.00 0.00 O ATOM 553 CB VAL A 35 -13.996 0.606 -0.508 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.508 1.214 0.818 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.169 -0.663 -0.688 1.00 0.00 C ATOM 0 H VAL A 35 -15.434 -0.895 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.713 0.164 0.604 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.853 1.249 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.430 1.369 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.005 2.169 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.742 0.535 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.110 -0.406 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.354 -1.339 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.451 -1.152 -1.620 1.00 0.00 H new ATOM 565 N VAL A 36 -15.909 2.758 -0.301 1.00 0.00 N ATOM 566 CA VAL A 36 -16.692 3.923 0.032 1.00 0.00 C ATOM 567 C VAL A 36 -15.699 5.003 0.448 1.00 0.00 C ATOM 568 O VAL A 36 -15.832 6.147 0.019 1.00 0.00 O ATOM 569 CB VAL A 36 -17.681 3.535 1.155 1.00 0.00 C ATOM 570 CG1 VAL A 36 -17.158 3.573 2.585 1.00 0.00 C ATOM 571 CG2 VAL A 36 -19.019 4.245 1.033 1.00 0.00 C ATOM 0 H VAL A 36 -14.923 2.890 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.290 4.301 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.828 2.472 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.953 3.279 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.320 2.884 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.827 4.584 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.672 3.933 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.865 5.323 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.481 3.989 0.080 1.00 0.00 H new ATOM 581 N TYR A 37 -14.659 4.635 1.214 1.00 0.00 N ATOM 582 CA TYR A 37 -13.716 5.643 1.679 1.00 0.00 C ATOM 583 C TYR A 37 -12.318 5.107 1.985 1.00 0.00 C ATOM 584 O TYR A 37 -12.134 3.951 2.367 1.00 0.00 O ATOM 585 CB TYR A 37 -14.312 6.364 2.895 1.00 0.00 C ATOM 586 CG TYR A 37 -13.492 7.588 3.245 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.377 8.650 2.327 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.678 7.566 4.389 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.429 9.668 2.535 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.714 8.564 4.593 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.579 9.617 3.662 1.00 0.00 C ATOM 592 OH TYR A 37 -10.672 10.609 3.876 1.00 0.00 O ATOM 0 H TYR A 37 -14.460 3.680 1.512 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.568 6.343 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.340 6.657 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.344 5.685 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.020 8.683 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.795 6.776 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.351 10.487 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.075 8.527 5.463 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.168 10.421 4.695 1.00 0.00 H new ATOM 602 N VAL A 38 -11.317 5.963 1.798 1.00 0.00 N ATOM 603 CA VAL A 38 -9.917 5.692 2.047 1.00 0.00 C ATOM 604 C VAL A 38 -9.266 6.982 2.514 1.00 0.00 C ATOM 605 O VAL A 38 -9.484 8.070 1.976 1.00 0.00 O ATOM 606 CB VAL A 38 -9.225 4.979 0.843 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.204 4.477 -0.239 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.137 5.799 0.129 1.00 0.00 C ATOM 0 H VAL A 38 -11.475 6.909 1.451 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.797 4.962 2.847 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.754 4.134 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.644 3.994 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.898 3.761 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.762 5.321 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.720 5.214 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.573 6.717 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.346 6.048 0.836 1.00 0.00 H new ATOM 618 N ASP A 39 -8.466 6.820 3.551 1.00 0.00 N ATOM 619 CA ASP A 39 -7.670 7.824 4.212 1.00 0.00 C ATOM 620 C ASP A 39 -6.301 7.843 3.564 1.00 0.00 C ATOM 621 O ASP A 39 -5.817 6.795 3.133 1.00 0.00 O ATOM 622 CB ASP A 39 -7.579 7.426 5.705 1.00 0.00 C ATOM 623 CG ASP A 39 -6.488 8.115 6.523 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.533 9.351 6.695 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.641 7.405 7.122 1.00 0.00 O ATOM 0 H ASP A 39 -8.350 5.904 3.985 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.105 8.820 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.541 7.634 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.422 6.349 5.763 1.00 0.00 H new ATOM 630 N LEU A 40 -5.699 9.024 3.443 1.00 0.00 N ATOM 631 CA LEU A 40 -4.427 9.222 2.763 1.00 0.00 C ATOM 632 C LEU A 40 -3.607 10.254 3.532 1.00 0.00 C ATOM 633 O LEU A 40 -4.145 11.283 3.950 1.00 0.00 O ATOM 634 CB LEU A 40 -4.627 9.751 1.335 1.00 0.00 C ATOM 635 CG LEU A 40 -5.232 8.822 0.274 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.529 7.470 0.147 1.00 0.00 C ATOM 637 CD2 LEU A 40 -6.736 8.720 0.271 1.00 0.00 C ATOM 0 H LEU A 40 -6.092 9.885 3.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.919 8.259 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.261 10.635 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.655 10.081 0.968 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.012 9.352 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.019 6.876 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.485 7.627 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.581 6.942 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.053 8.038 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.077 8.343 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.167 9.705 0.094 1.00 0.00 H new ATOM 649 N PRO A 41 -2.298 10.035 3.694 1.00 0.00 N ATOM 650 CA PRO A 41 -1.436 10.914 4.467 1.00 0.00 C ATOM 651 C PRO A 41 -1.100 12.211 3.715 1.00 0.00 C ATOM 652 O PRO A 41 -1.452 12.394 2.553 1.00 0.00 O ATOM 653 CB PRO A 41 -0.200 10.077 4.758 1.00 0.00 C ATOM 654 CG PRO A 41 -0.137 9.075 3.609 1.00 0.00 C ATOM 655 CD PRO A 41 -1.562 8.924 3.125 1.00 0.00 C ATOM 0 HA PRO A 41 -1.919 11.257 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.697 10.694 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.280 9.572 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.513 9.434 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.267 8.120 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.608 8.943 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.984 7.972 3.446 1.00 0.00 H new ATOM 663 N GLU A 42 -0.388 13.127 4.366 1.00 0.00 N ATOM 664 CA GLU A 42 0.081 14.364 3.746 1.00 0.00 C ATOM 665 C GLU A 42 1.355 14.088 2.941 1.00 0.00 C ATOM 666 O GLU A 42 2.164 13.261 3.354 1.00 0.00 O ATOM 667 CB GLU A 42 0.350 15.401 4.838 1.00 0.00 C ATOM 668 CG GLU A 42 0.454 16.816 4.253 1.00 0.00 C ATOM 669 CD GLU A 42 1.711 17.531 4.741 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.829 17.183 4.297 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.627 18.385 5.654 1.00 0.00 O ATOM 0 H GLU A 42 -0.118 13.032 5.345 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.679 14.751 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.450 15.369 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.275 15.152 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.465 16.761 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.427 17.393 4.535 1.00 0.00 H new ATOM 678 N VAL A 43 1.573 14.815 1.843 1.00 0.00 N ATOM 679 CA VAL A 43 2.579 14.603 0.789 1.00 0.00 C ATOM 680 C VAL A 43 4.045 14.894 1.197 1.00 0.00 C ATOM 681 O VAL A 43 4.927 15.073 0.366 1.00 0.00 O ATOM 682 CB VAL A 43 2.086 15.398 -0.443 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.625 16.822 -0.519 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.376 14.690 -1.757 1.00 0.00 C ATOM 0 H VAL A 43 1.004 15.639 1.648 1.00 0.00 H new ATOM 0 HA VAL A 43 2.649 13.540 0.559 1.00 0.00 H new ATOM 0 HB VAL A 43 1.007 15.455 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.233 17.312 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.314 17.376 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.714 16.797 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.008 15.295 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.451 14.546 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.877 13.721 -1.766 1.00 0.00 H new ATOM 694 N GLY A 44 4.304 14.940 2.492 1.00 0.00 N ATOM 695 CA GLY A 44 5.604 15.110 3.127 1.00 0.00 C ATOM 696 C GLY A 44 5.650 14.499 4.531 1.00 0.00 C ATOM 697 O GLY A 44 6.659 14.648 5.226 1.00 0.00 O ATOM 0 H GLY A 44 3.557 14.853 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.372 14.648 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.840 16.172 3.188 1.00 0.00 H new ATOM 701 N ARG A 45 4.573 13.833 4.977 1.00 0.00 N ATOM 702 CA ARG A 45 4.492 13.194 6.292 1.00 0.00 C ATOM 703 C ARG A 45 5.582 12.130 6.378 1.00 0.00 C ATOM 704 O ARG A 45 5.799 11.399 5.413 1.00 0.00 O ATOM 705 CB ARG A 45 3.086 12.588 6.455 1.00 0.00 C ATOM 706 CG ARG A 45 2.814 11.896 7.802 1.00 0.00 C ATOM 707 CD ARG A 45 1.370 11.380 7.804 1.00 0.00 C ATOM 708 NE ARG A 45 0.993 10.662 9.032 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.237 10.192 9.291 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.250 10.400 8.453 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.448 9.494 10.394 1.00 0.00 N ATOM 0 H ARG A 45 3.724 13.724 4.423 1.00 0.00 H new ATOM 0 HA ARG A 45 4.649 13.911 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.350 13.380 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.927 11.864 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.511 11.071 7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.967 12.595 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.693 12.223 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.231 10.717 6.950 1.00 0.00 H new ATOM 0 HE ARG A 45 1.717 10.511 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.100 10.927 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.176 10.033 8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.321 9.317 11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.380 9.133 10.599 1.00 0.00 H new ATOM 725 N GLU A 46 6.260 12.011 7.513 1.00 0.00 N ATOM 726 CA GLU A 46 7.164 10.904 7.757 1.00 0.00 C ATOM 727 C GLU A 46 6.349 9.765 8.351 1.00 0.00 C ATOM 728 O GLU A 46 5.445 10.000 9.159 1.00 0.00 O ATOM 729 CB GLU A 46 8.253 11.345 8.732 1.00 0.00 C ATOM 730 CG GLU A 46 9.153 12.353 8.020 1.00 0.00 C ATOM 731 CD GLU A 46 10.541 12.524 8.641 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.208 11.505 8.934 1.00 0.00 O ATOM 733 OE2 GLU A 46 10.992 13.686 8.739 1.00 0.00 O ATOM 0 H GLU A 46 6.197 12.677 8.283 1.00 0.00 H new ATOM 0 HA GLU A 46 7.642 10.578 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.809 11.794 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.835 10.486 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.271 12.044 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.653 13.322 8.010 1.00 0.00 H new ATOM 740 N VAL A 47 6.663 8.539 7.949 1.00 0.00 N ATOM 741 CA VAL A 47 5.934 7.338 8.348 1.00 0.00 C ATOM 742 C VAL A 47 6.915 6.232 8.744 1.00 0.00 C ATOM 743 O VAL A 47 8.127 6.346 8.519 1.00 0.00 O ATOM 744 CB VAL A 47 4.930 6.911 7.252 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.949 8.048 6.923 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.590 6.442 5.945 1.00 0.00 C ATOM 0 H VAL A 47 7.446 8.347 7.325 1.00 0.00 H new ATOM 0 HA VAL A 47 5.334 7.554 9.232 1.00 0.00 H new ATOM 0 HB VAL A 47 4.402 6.058 7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.256 7.718 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.391 8.318 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.504 8.916 6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.818 6.160 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.192 7.251 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.228 5.582 6.148 1.00 0.00 H new ATOM 756 N LYS A 48 6.394 5.140 9.314 1.00 0.00 N ATOM 757 CA LYS A 48 7.168 3.966 9.678 1.00 0.00 C ATOM 758 C LYS A 48 6.548 2.716 9.095 1.00 0.00 C ATOM 759 O LYS A 48 5.343 2.698 8.862 1.00 0.00 O ATOM 760 CB LYS A 48 7.265 3.854 11.200 1.00 0.00 C ATOM 761 CG LYS A 48 8.361 4.795 11.697 1.00 0.00 C ATOM 762 CD LYS A 48 8.588 4.699 13.204 1.00 0.00 C ATOM 763 CE LYS A 48 7.438 5.301 14.015 1.00 0.00 C ATOM 764 NZ LYS A 48 7.273 6.745 13.753 1.00 0.00 N ATOM 0 H LYS A 48 5.402 5.054 9.536 1.00 0.00 H new ATOM 0 HA LYS A 48 8.172 4.071 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.310 4.112 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.490 2.827 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.292 4.566 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.097 5.821 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.714 3.653 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.515 5.211 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.512 4.780 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.623 5.144 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.262 7.262 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.064 7.084 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.377 6.906 13.251 1.00 0.00 H new ATOM 778 N LYS A 49 7.347 1.650 8.988 1.00 0.00 N ATOM 779 CA LYS A 49 7.019 0.327 8.438 1.00 0.00 C ATOM 780 C LYS A 49 5.895 -0.428 9.174 1.00 0.00 C ATOM 781 O LYS A 49 5.704 -1.626 8.973 1.00 0.00 O ATOM 782 CB LYS A 49 8.341 -0.471 8.275 1.00 0.00 C ATOM 783 CG LYS A 49 8.698 -1.558 9.306 1.00 0.00 C ATOM 784 CD LYS A 49 8.473 -2.962 8.715 1.00 0.00 C ATOM 785 CE LYS A 49 8.411 -4.029 9.808 1.00 0.00 C ATOM 786 NZ LYS A 49 9.722 -4.650 10.080 1.00 0.00 N ATOM 0 H LYS A 49 8.315 1.691 9.308 1.00 0.00 H new ATOM 0 HA LYS A 49 6.565 0.463 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.318 -0.945 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.159 0.249 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.739 -1.449 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.088 -1.432 10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.545 -2.972 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.279 -3.198 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.030 -3.580 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.702 -4.803 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.619 -5.365 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.077 -5.104 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.395 -3.920 10.389 1.00 0.00 H new ATOM 800 N GLY A 50 5.177 0.223 10.078 1.00 0.00 N ATOM 801 CA GLY A 50 4.006 -0.303 10.743 1.00 0.00 C ATOM 802 C GLY A 50 3.302 0.861 11.419 1.00 0.00 C ATOM 803 O GLY A 50 3.363 0.973 12.642 1.00 0.00 O ATOM 0 H GLY A 50 5.409 1.170 10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.343 -0.787 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.289 -1.058 11.476 1.00 0.00 H new ATOM 807 N GLU A 51 2.730 1.782 10.644 1.00 0.00 N ATOM 808 CA GLU A 51 2.095 2.996 11.153 1.00 0.00 C ATOM 809 C GLU A 51 0.828 3.256 10.339 1.00 0.00 C ATOM 810 O GLU A 51 0.889 3.200 9.117 1.00 0.00 O ATOM 811 CB GLU A 51 3.105 4.144 11.048 1.00 0.00 C ATOM 812 CG GLU A 51 2.659 5.382 11.827 1.00 0.00 C ATOM 813 CD GLU A 51 3.832 6.341 11.976 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.716 6.063 12.816 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.894 7.365 11.262 1.00 0.00 O ATOM 0 H GLU A 51 2.695 1.704 9.628 1.00 0.00 H new ATOM 0 HA GLU A 51 1.804 2.898 12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.072 3.810 11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.244 4.408 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.837 5.875 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.287 5.091 12.809 1.00 0.00 H new ATOM 822 N VAL A 52 -0.321 3.476 10.976 1.00 0.00 N ATOM 823 CA VAL A 52 -1.620 3.612 10.324 1.00 0.00 C ATOM 824 C VAL A 52 -1.699 5.023 9.769 1.00 0.00 C ATOM 825 O VAL A 52 -1.752 5.999 10.526 1.00 0.00 O ATOM 826 CB VAL A 52 -2.803 3.313 11.274 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.130 3.534 10.544 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.737 1.884 11.809 1.00 0.00 C ATOM 0 H VAL A 52 -0.374 3.567 11.991 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.704 2.874 9.526 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.736 3.996 12.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.957 3.321 11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.193 4.569 10.209 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.186 2.869 9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.582 1.705 12.474 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.775 1.182 10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.807 1.744 12.359 1.00 0.00 H new ATOM 838 N VAL A 53 -1.670 5.128 8.450 1.00 0.00 N ATOM 839 CA VAL A 53 -1.586 6.402 7.756 1.00 0.00 C ATOM 840 C VAL A 53 -2.485 6.434 6.517 1.00 0.00 C ATOM 841 O VAL A 53 -2.509 7.458 5.837 1.00 0.00 O ATOM 842 CB VAL A 53 -0.107 6.694 7.422 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.791 6.780 8.665 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.489 5.590 6.548 1.00 0.00 C ATOM 0 H VAL A 53 -1.705 4.322 7.825 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.958 7.194 8.407 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.126 7.657 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.817 6.987 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.437 7.581 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.757 5.833 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.531 5.822 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.433 4.638 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.071 5.522 5.616 1.00 0.00 H new ATOM 854 N ALA A 54 -3.177 5.330 6.196 1.00 0.00 N ATOM 855 CA ALA A 54 -4.003 5.227 5.001 1.00 0.00 C ATOM 856 C ALA A 54 -5.163 4.233 5.174 1.00 0.00 C ATOM 857 O ALA A 54 -5.390 3.363 4.335 1.00 0.00 O ATOM 858 CB ALA A 54 -3.103 4.869 3.815 1.00 0.00 C ATOM 0 H ALA A 54 -3.174 4.484 6.766 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.479 6.189 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.707 4.788 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.352 5.647 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.609 3.917 4.008 1.00 0.00 H new ATOM 864 N SER A 55 -5.856 4.308 6.307 1.00 0.00 N ATOM 865 CA SER A 55 -7.004 3.474 6.649 1.00 0.00 C ATOM 866 C SER A 55 -8.045 3.392 5.527 1.00 0.00 C ATOM 867 O SER A 55 -8.324 4.377 4.856 1.00 0.00 O ATOM 868 CB SER A 55 -7.644 4.112 7.877 1.00 0.00 C ATOM 869 OG SER A 55 -6.774 4.074 8.991 1.00 0.00 O ATOM 0 H SER A 55 -5.624 4.978 7.041 1.00 0.00 H new ATOM 0 HA SER A 55 -6.664 2.454 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.909 5.146 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.570 3.591 8.119 1.00 0.00 H new ATOM 0 HG SER A 55 -7.211 4.492 9.762 1.00 0.00 H new ATOM 875 N ILE A 56 -8.708 2.251 5.375 1.00 0.00 N ATOM 876 CA ILE A 56 -9.701 2.008 4.340 1.00 0.00 C ATOM 877 C ILE A 56 -10.979 1.632 5.077 1.00 0.00 C ATOM 878 O ILE A 56 -11.052 0.551 5.664 1.00 0.00 O ATOM 879 CB ILE A 56 -9.232 0.908 3.357 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.765 1.033 2.917 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.180 0.907 2.144 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.271 -0.175 2.112 1.00 0.00 C ATOM 0 H ILE A 56 -8.564 1.448 5.987 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.864 2.887 3.717 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.275 -0.044 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.648 1.935 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.137 1.155 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.867 0.138 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.197 0.701 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.148 1.881 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.228 -0.024 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.357 -1.076 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.876 -0.285 1.212 1.00 0.00 H new ATOM 894 N GLU A 57 -11.964 2.521 5.101 1.00 0.00 N ATOM 895 CA GLU A 57 -13.275 2.262 5.670 1.00 0.00 C ATOM 896 C GLU A 57 -14.164 1.806 4.527 1.00 0.00 C ATOM 897 O GLU A 57 -14.234 2.501 3.525 1.00 0.00 O ATOM 898 CB GLU A 57 -13.840 3.547 6.298 1.00 0.00 C ATOM 899 CG GLU A 57 -13.791 3.471 7.822 1.00 0.00 C ATOM 900 CD GLU A 57 -12.401 3.565 8.466 1.00 0.00 C ATOM 901 OE1 GLU A 57 -11.568 4.447 8.137 1.00 0.00 O ATOM 902 OE2 GLU A 57 -12.195 2.781 9.423 1.00 0.00 O ATOM 0 H GLU A 57 -11.869 3.461 4.717 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.222 1.504 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.267 4.408 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.869 3.696 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.409 4.274 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.248 2.531 8.132 1.00 0.00 H new ATOM 909 N SER A 58 -14.866 0.682 4.656 1.00 0.00 N ATOM 910 CA SER A 58 -15.870 0.248 3.691 1.00 0.00 C ATOM 911 C SER A 58 -17.269 0.479 4.255 1.00 0.00 C ATOM 912 O SER A 58 -17.451 1.088 5.315 1.00 0.00 O ATOM 913 CB SER A 58 -15.594 -1.202 3.267 1.00 0.00 C ATOM 914 OG SER A 58 -15.866 -2.124 4.306 1.00 0.00 O ATOM 0 H SER A 58 -14.752 0.042 5.442 1.00 0.00 H new ATOM 0 HA SER A 58 -15.811 0.845 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.204 -1.447 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.552 -1.298 2.962 1.00 0.00 H new ATOM 0 HG SER A 58 -15.679 -3.034 3.993 1.00 0.00 H new ATOM 920 N VAL A 59 -18.276 -0.014 3.536 1.00 0.00 N ATOM 921 CA VAL A 59 -19.685 0.144 3.845 1.00 0.00 C ATOM 922 C VAL A 59 -20.024 -0.274 5.279 1.00 0.00 C ATOM 923 O VAL A 59 -20.980 0.277 5.836 1.00 0.00 O ATOM 924 CB VAL A 59 -20.520 -0.635 2.811 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.461 0.026 1.429 1.00 0.00 C ATOM 926 CG2 VAL A 59 -20.103 -2.107 2.681 1.00 0.00 C ATOM 0 H VAL A 59 -18.119 -0.557 2.687 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.933 1.204 3.783 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.542 -0.609 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.061 -0.550 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.853 1.041 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.427 0.057 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.730 -2.598 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.060 -2.164 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -20.223 -2.605 3.643 1.00 0.00 H new ATOM 936 N LYS A 60 -19.269 -1.195 5.906 1.00 0.00 N ATOM 937 CA LYS A 60 -19.400 -1.458 7.340 1.00 0.00 C ATOM 938 C LYS A 60 -18.159 -2.114 7.965 1.00 0.00 C ATOM 939 O LYS A 60 -18.298 -2.902 8.904 1.00 0.00 O ATOM 940 CB LYS A 60 -20.679 -2.280 7.612 1.00 0.00 C ATOM 941 CG LYS A 60 -21.213 -2.102 9.048 1.00 0.00 C ATOM 942 CD LYS A 60 -22.713 -1.780 9.087 1.00 0.00 C ATOM 943 CE LYS A 60 -23.029 -0.416 8.465 1.00 0.00 C ATOM 944 NZ LYS A 60 -24.476 -0.138 8.481 1.00 0.00 N ATOM 0 H LYS A 60 -18.565 -1.765 5.438 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.486 -0.490 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.452 -1.984 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.471 -3.335 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.026 -3.013 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.661 -1.301 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -23.263 -2.556 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -23.059 -1.795 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.501 0.365 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.664 -0.389 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.655 0.793 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.976 -0.871 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -24.819 -0.139 9.463 1.00 0.00 H new ATOM 958 N ALA A 61 -16.955 -1.865 7.450 1.00 0.00 N ATOM 959 CA ALA A 61 -15.722 -2.392 8.031 1.00 0.00 C ATOM 960 C ALA A 61 -14.596 -1.371 7.881 1.00 0.00 C ATOM 961 O ALA A 61 -14.805 -0.288 7.331 1.00 0.00 O ATOM 962 CB ALA A 61 -15.352 -3.727 7.374 1.00 0.00 C ATOM 0 H ALA A 61 -16.808 -1.293 6.619 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.877 -2.574 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.432 -4.108 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.156 -4.446 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.205 -3.578 6.304 1.00 0.00 H new ATOM 968 N ALA A 62 -13.410 -1.742 8.362 1.00 0.00 N ATOM 969 CA ALA A 62 -12.176 -0.975 8.320 1.00 0.00 C ATOM 970 C ALA A 62 -11.021 -1.935 8.006 1.00 0.00 C ATOM 971 O ALA A 62 -11.056 -3.096 8.443 1.00 0.00 O ATOM 972 CB ALA A 62 -11.932 -0.343 9.691 1.00 0.00 C ATOM 0 H ALA A 62 -13.283 -2.645 8.820 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.243 -0.196 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.008 0.234 9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.764 0.315 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.850 -1.127 10.444 1.00 0.00 H new ATOM 978 N ALA A 63 -9.973 -1.445 7.347 1.00 0.00 N ATOM 979 CA ALA A 63 -8.639 -2.023 7.286 1.00 0.00 C ATOM 980 C ALA A 63 -7.648 -0.872 7.415 1.00 0.00 C ATOM 981 O ALA A 63 -7.570 -0.033 6.522 1.00 0.00 O ATOM 982 CB ALA A 63 -8.407 -2.786 5.978 1.00 0.00 C ATOM 0 H ALA A 63 -10.040 -0.581 6.810 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.512 -2.747 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.399 -3.202 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.133 -3.594 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.523 -2.106 5.134 1.00 0.00 H new ATOM 988 N ASP A 64 -6.924 -0.814 8.526 1.00 0.00 N ATOM 989 CA ASP A 64 -5.840 0.137 8.738 1.00 0.00 C ATOM 990 C ASP A 64 -4.729 -0.279 7.774 1.00 0.00 C ATOM 991 O ASP A 64 -4.178 -1.375 7.909 1.00 0.00 O ATOM 992 CB ASP A 64 -5.301 0.087 10.192 1.00 0.00 C ATOM 993 CG ASP A 64 -6.153 -0.677 11.211 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.127 -0.112 11.761 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.865 -1.871 11.467 1.00 0.00 O ATOM 0 H ASP A 64 -7.076 -1.437 9.319 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.191 1.154 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.308 -0.362 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.181 1.111 10.547 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.398 0.557 6.789 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.165 0.363 6.035 1.00 0.00 C ATOM 1002 C VAL A 65 -2.051 0.884 6.932 1.00 0.00 C ATOM 1003 O VAL A 65 -1.848 2.098 7.071 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.177 1.045 4.663 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.829 0.896 3.933 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.271 0.452 3.767 1.00 0.00 C ATOM 0 H VAL A 65 -4.957 1.360 6.500 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.026 -0.691 5.794 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.370 2.102 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.882 1.394 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.039 1.350 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.610 -0.162 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.259 0.953 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.089 -0.613 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.244 0.595 4.238 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.356 -0.049 7.571 1.00 0.00 N ATOM 1017 CA TYR A 66 -0.063 0.225 8.155 1.00 0.00 C ATOM 1018 C TYR A 66 0.909 0.475 7.004 1.00 0.00 C ATOM 1019 O TYR A 66 1.043 -0.392 6.151 1.00 0.00 O ATOM 1020 CB TYR A 66 0.403 -0.963 9.008 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.637 -1.500 9.968 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.890 -0.830 11.178 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.390 -2.639 9.624 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.886 -1.302 12.052 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.405 -3.102 10.473 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.660 -2.426 11.690 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.657 -2.839 12.510 1.00 0.00 O ATOM 0 H TYR A 66 -1.676 -1.009 7.695 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.112 1.095 8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.715 -1.769 8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.282 -0.661 9.578 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.318 0.049 11.437 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.184 -3.159 8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.058 -0.807 12.996 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.989 -3.969 10.200 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.428 -2.242 12.414 1.00 0.00 H new ATOM 1037 N ALA A 67 1.590 1.622 6.980 1.00 0.00 N ATOM 1038 CA ALA A 67 2.643 1.924 6.020 1.00 0.00 C ATOM 1039 C ALA A 67 3.666 0.777 5.994 1.00 0.00 C ATOM 1040 O ALA A 67 4.092 0.332 7.062 1.00 0.00 O ATOM 1041 CB ALA A 67 3.329 3.246 6.375 1.00 0.00 C ATOM 0 H ALA A 67 1.419 2.379 7.642 1.00 0.00 H new ATOM 0 HA ALA A 67 2.200 2.026 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.113 3.456 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.595 4.052 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.768 3.172 7.370 1.00 0.00 H new ATOM 1047 N PRO A 68 4.068 0.295 4.809 1.00 0.00 N ATOM 1048 CA PRO A 68 4.827 -0.943 4.691 1.00 0.00 C ATOM 1049 C PRO A 68 6.322 -0.792 4.966 1.00 0.00 C ATOM 1050 O PRO A 68 6.937 -1.746 5.441 1.00 0.00 O ATOM 1051 CB PRO A 68 4.599 -1.418 3.259 1.00 0.00 C ATOM 1052 CG PRO A 68 4.188 -0.189 2.481 1.00 0.00 C ATOM 1053 CD PRO A 68 3.610 0.764 3.513 1.00 0.00 C ATOM 0 HA PRO A 68 4.484 -1.652 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.505 -1.859 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.824 -2.184 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.041 0.256 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.451 -0.436 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.945 1.785 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.521 0.773 3.466 1.00 0.00 H new ATOM 1061 N LEU A 69 6.910 0.366 4.648 1.00 0.00 N ATOM 1062 CA LEU A 69 8.305 0.735 4.903 1.00 0.00 C ATOM 1063 C LEU A 69 8.284 2.051 5.671 1.00 0.00 C ATOM 1064 O LEU A 69 7.310 2.810 5.579 1.00 0.00 O ATOM 1065 CB LEU A 69 9.099 0.930 3.596 1.00 0.00 C ATOM 1066 CG LEU A 69 9.644 -0.319 2.883 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.784 -0.980 3.669 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.592 -1.369 2.506 1.00 0.00 C ATOM 0 H LEU A 69 6.396 1.112 4.180 1.00 0.00 H new ATOM 0 HA LEU A 69 8.792 -0.063 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.457 1.461 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.943 1.584 3.814 1.00 0.00 H new ATOM 0 HG LEU A 69 10.028 0.073 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.138 -1.858 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.604 -0.271 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.421 -1.281 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.078 -2.209 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.091 -1.722 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.859 -0.924 1.833 1.00 0.00 H new ATOM 1080 N SER A 70 9.362 2.350 6.390 1.00 0.00 N ATOM 1081 CA SER A 70 9.617 3.692 6.876 1.00 0.00 C ATOM 1082 C SER A 70 10.137 4.522 5.705 1.00 0.00 C ATOM 1083 O SER A 70 10.659 3.992 4.721 1.00 0.00 O ATOM 1084 CB SER A 70 10.601 3.633 8.049 1.00 0.00 C ATOM 1085 OG SER A 70 10.089 2.766 9.057 1.00 0.00 O ATOM 0 H SER A 70 10.077 1.669 6.648 1.00 0.00 H new ATOM 0 HA SER A 70 8.710 4.164 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.572 3.275 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.756 4.631 8.458 1.00 0.00 H new ATOM 0 HG SER A 70 10.719 2.727 9.806 1.00 0.00 H new ATOM 1091 N GLY A 71 9.931 5.832 5.753 1.00 0.00 N ATOM 1092 CA GLY A 71 10.093 6.702 4.602 1.00 0.00 C ATOM 1093 C GLY A 71 9.179 7.893 4.781 1.00 0.00 C ATOM 1094 O GLY A 71 8.595 8.082 5.852 1.00 0.00 O ATOM 0 H GLY A 71 9.644 6.322 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.130 7.028 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.847 6.168 3.684 1.00 0.00 H new ATOM 1098 N LYS A 72 9.050 8.712 3.743 1.00 0.00 N ATOM 1099 CA LYS A 72 8.319 9.969 3.846 1.00 0.00 C ATOM 1100 C LYS A 72 7.454 10.092 2.603 1.00 0.00 C ATOM 1101 O LYS A 72 7.907 9.784 1.502 1.00 0.00 O ATOM 1102 CB LYS A 72 9.281 11.152 4.076 1.00 0.00 C ATOM 1103 CG LYS A 72 10.504 10.793 4.949 1.00 0.00 C ATOM 1104 CD LYS A 72 11.396 11.979 5.314 1.00 0.00 C ATOM 1105 CE LYS A 72 12.194 12.484 4.121 1.00 0.00 C ATOM 1106 NZ LYS A 72 13.155 13.508 4.566 1.00 0.00 N ATOM 0 H LYS A 72 9.443 8.527 2.820 1.00 0.00 H new ATOM 0 HA LYS A 72 7.664 9.986 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.629 11.519 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.734 11.968 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.153 10.323 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.105 10.052 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.780 12.788 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.081 11.686 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.722 11.656 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.522 12.903 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.699 13.852 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.641 14.302 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.804 13.094 5.265 1.00 0.00 H new ATOM 1120 N ILE A 73 6.177 10.398 2.783 1.00 0.00 N ATOM 1121 CA ILE A 73 5.176 10.420 1.721 1.00 0.00 C ATOM 1122 C ILE A 73 5.563 11.504 0.717 1.00 0.00 C ATOM 1123 O ILE A 73 6.176 12.493 1.116 1.00 0.00 O ATOM 1124 CB ILE A 73 3.800 10.698 2.349 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.475 9.758 3.533 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.644 10.658 1.326 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.702 8.272 3.259 1.00 0.00 C ATOM 0 H ILE A 73 5.796 10.645 3.696 1.00 0.00 H new ATOM 0 HA ILE A 73 5.127 9.465 1.199 1.00 0.00 H new ATOM 0 HB ILE A 73 3.880 11.716 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.084 10.052 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.433 9.904 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.701 10.862 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.812 11.412 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.601 9.672 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.447 7.695 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.073 7.955 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.749 8.104 3.006 1.00 0.00 H new ATOM 1139 N VAL A 74 5.203 11.321 -0.559 1.00 0.00 N ATOM 1140 CA VAL A 74 5.390 12.327 -1.601 1.00 0.00 C ATOM 1141 C VAL A 74 4.300 12.262 -2.695 1.00 0.00 C ATOM 1142 O VAL A 74 4.394 13.012 -3.665 1.00 0.00 O ATOM 1143 CB VAL A 74 6.803 12.206 -2.242 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.970 12.515 -1.292 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.047 10.822 -2.875 1.00 0.00 C ATOM 0 H VAL A 74 4.770 10.461 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 74 5.300 13.298 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 74 6.790 12.976 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.913 12.405 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.879 13.537 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.947 11.823 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.047 10.791 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.959 10.051 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.308 10.644 -3.656 1.00 0.00 H new ATOM 1155 N GLU A 75 3.270 11.404 -2.606 1.00 0.00 N ATOM 1156 CA GLU A 75 2.089 11.522 -3.474 1.00 0.00 C ATOM 1157 C GLU A 75 0.892 10.841 -2.804 1.00 0.00 C ATOM 1158 O GLU A 75 1.097 9.953 -1.972 1.00 0.00 O ATOM 1159 CB GLU A 75 2.374 10.852 -4.828 1.00 0.00 C ATOM 1160 CG GLU A 75 1.784 11.594 -6.025 1.00 0.00 C ATOM 1161 CD GLU A 75 2.283 10.966 -7.328 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.468 11.151 -7.675 1.00 0.00 O ATOM 1163 OE2 GLU A 75 1.537 10.206 -7.981 1.00 0.00 O ATOM 0 H GLU A 75 3.232 10.627 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 75 1.862 12.576 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.453 10.769 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.976 9.837 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.695 11.555 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.067 12.646 -5.987 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.337 11.169 -3.209 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.576 10.481 -2.830 1.00 0.00 C ATOM 1172 C VAL A 76 -2.469 10.309 -4.068 1.00 0.00 C ATOM 1173 O VAL A 76 -2.217 10.959 -5.088 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.319 11.230 -1.706 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.422 11.556 -0.508 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.977 12.521 -2.195 1.00 0.00 C ATOM 0 H VAL A 76 -0.504 11.955 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.320 9.496 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.094 10.536 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.003 12.083 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.029 10.631 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.594 12.186 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.486 13.008 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.214 13.189 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.700 12.287 -2.976 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.525 9.493 -3.973 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.430 9.174 -5.075 1.00 0.00 C ATOM 1188 C ASN A 77 -5.837 9.663 -4.723 1.00 0.00 C ATOM 1189 O ASN A 77 -6.701 8.867 -4.351 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.396 7.658 -5.354 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.818 7.250 -6.765 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.725 8.016 -7.724 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.257 6.009 -6.912 1.00 0.00 N ATOM 0 H ASN A 77 -3.778 9.025 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.114 9.680 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.385 7.294 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.047 7.157 -4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.527 5.669 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.325 5.393 -6.102 1.00 0.00 H new ATOM 1200 N GLU A 78 -6.105 10.965 -4.863 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.432 11.558 -4.670 1.00 0.00 C ATOM 1202 C GLU A 78 -8.502 10.927 -5.560 1.00 0.00 C ATOM 1203 O GLU A 78 -9.692 11.138 -5.351 1.00 0.00 O ATOM 1204 CB GLU A 78 -7.409 13.077 -4.927 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.945 13.920 -3.733 1.00 0.00 C ATOM 1206 CD GLU A 78 -7.151 15.429 -3.947 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.590 15.883 -5.030 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.831 16.217 -3.024 1.00 0.00 O ATOM 0 H GLU A 78 -5.393 11.649 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.691 11.359 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.753 13.279 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.410 13.399 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.489 13.607 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.889 13.726 -3.547 1.00 0.00 H new ATOM 1215 N LYS A 79 -8.119 10.125 -6.547 1.00 0.00 N ATOM 1216 CA LYS A 79 -9.043 9.304 -7.322 1.00 0.00 C ATOM 1217 C LYS A 79 -9.913 8.441 -6.405 1.00 0.00 C ATOM 1218 O LYS A 79 -11.068 8.183 -6.737 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.239 8.462 -8.324 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.746 9.356 -9.473 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.757 8.662 -10.412 1.00 0.00 C ATOM 1222 CE LYS A 79 -7.430 7.919 -11.563 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.882 8.827 -12.635 1.00 0.00 N ATOM 0 H LYS A 79 -7.146 10.025 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.728 9.944 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.391 7.995 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.859 7.657 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.605 9.696 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.273 10.244 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.073 9.406 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.156 7.958 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.733 7.191 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.284 7.360 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.332 8.274 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.568 9.506 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.065 9.342 -13.021 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.391 8.020 -5.251 1.00 0.00 N ATOM 1238 CA LEU A 80 -10.077 7.137 -4.313 1.00 0.00 C ATOM 1239 C LEU A 80 -11.183 7.916 -3.562 1.00 0.00 C ATOM 1240 O LEU A 80 -12.176 7.318 -3.151 1.00 0.00 O ATOM 1241 CB LEU A 80 -9.030 6.459 -3.386 1.00 0.00 C ATOM 1242 CG LEU A 80 -8.004 5.459 -4.021 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.253 4.031 -3.538 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.024 5.350 -5.557 1.00 0.00 C ATOM 0 H LEU A 80 -8.459 8.291 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.591 6.332 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.462 7.249 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.574 5.925 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.050 5.881 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.526 3.360 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.152 3.991 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.259 3.722 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.273 4.630 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.009 5.019 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.804 6.324 -5.994 1.00 0.00 H new ATOM 1256 N ASP A 81 -11.105 9.255 -3.496 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.107 10.168 -2.902 1.00 0.00 C ATOM 1258 C ASP A 81 -13.427 10.209 -3.681 1.00 0.00 C ATOM 1259 O ASP A 81 -14.381 10.878 -3.278 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.538 11.593 -2.849 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.375 12.577 -2.025 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.730 12.290 -0.858 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.565 13.727 -2.496 1.00 0.00 O ATOM 0 H ASP A 81 -10.303 9.760 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.320 9.783 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.531 11.554 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.448 11.974 -3.866 1.00 0.00 H new ATOM 1268 N THR A 82 -13.481 9.540 -4.834 1.00 0.00 N ATOM 1269 CA THR A 82 -14.659 9.512 -5.685 1.00 0.00 C ATOM 1270 C THR A 82 -14.899 8.093 -6.211 1.00 0.00 C ATOM 1271 O THR A 82 -16.047 7.660 -6.326 1.00 0.00 O ATOM 1272 CB THR A 82 -14.541 10.575 -6.799 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.924 10.091 -7.971 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.811 11.874 -6.413 1.00 0.00 C ATOM 0 H THR A 82 -12.698 8.999 -5.202 1.00 0.00 H new ATOM 0 HA THR A 82 -15.543 9.777 -5.105 1.00 0.00 H new ATOM 0 HB THR A 82 -15.590 10.811 -6.976 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.880 10.808 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.787 12.547 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.337 12.355 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.791 11.641 -6.107 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.817 7.348 -6.466 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.783 5.995 -7.010 1.00 0.00 C ATOM 1284 C GLU A 83 -13.021 5.073 -6.028 1.00 0.00 C ATOM 1285 O GLU A 83 -11.976 4.501 -6.349 1.00 0.00 O ATOM 1286 CB GLU A 83 -13.142 6.092 -8.404 1.00 0.00 C ATOM 1287 CG GLU A 83 -14.140 6.033 -9.565 1.00 0.00 C ATOM 1288 CD GLU A 83 -14.494 4.607 -10.011 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.807 3.739 -9.168 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -14.469 4.372 -11.247 1.00 0.00 O ATOM 0 H GLU A 83 -12.879 7.704 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.773 5.554 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.582 7.025 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.423 5.281 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.054 6.549 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.726 6.576 -10.414 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.523 4.904 -4.795 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.897 4.083 -3.758 1.00 0.00 C ATOM 1299 C PRO A 84 -13.026 2.600 -4.107 1.00 0.00 C ATOM 1300 O PRO A 84 -12.265 1.757 -3.630 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.663 4.396 -2.472 1.00 0.00 C ATOM 1302 CG PRO A 84 -15.049 4.795 -2.986 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.788 5.431 -4.343 1.00 0.00 C ATOM 0 HA PRO A 84 -11.833 4.297 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.711 3.531 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.194 5.203 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.704 3.928 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.537 5.495 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.585 5.189 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.752 6.518 -4.264 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.984 2.278 -4.975 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.164 0.967 -5.551 1.00 0.00 C ATOM 1313 C GLU A 85 -12.926 0.557 -6.354 1.00 0.00 C ATOM 1314 O GLU A 85 -12.761 -0.628 -6.622 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.386 0.985 -6.482 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.728 1.245 -5.778 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.870 1.503 -6.770 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -17.754 1.192 -7.980 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.899 2.092 -6.359 1.00 0.00 O ATOM 0 H GLU A 85 -14.675 2.954 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.316 0.248 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.235 1.752 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.444 0.029 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.980 0.388 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.626 2.104 -5.114 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.029 1.473 -6.741 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.911 1.099 -7.595 1.00 0.00 C ATOM 1328 C LEU A 86 -9.893 0.192 -6.932 1.00 0.00 C ATOM 1329 O LEU A 86 -9.164 -0.490 -7.657 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.265 2.322 -8.261 1.00 0.00 C ATOM 1331 CG LEU A 86 -11.088 2.826 -9.461 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -10.294 3.893 -10.213 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.443 1.715 -10.456 1.00 0.00 C ATOM 0 H LEU A 86 -12.059 2.458 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.346 0.488 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.164 3.123 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.259 2.065 -8.593 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.016 3.225 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.877 4.249 -11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.081 4.727 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.357 3.465 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.023 2.135 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.528 1.271 -10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.031 0.949 -9.951 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.885 0.083 -5.603 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.081 -0.935 -4.941 1.00 0.00 C ATOM 1347 C ILE A 87 -9.641 -2.334 -5.263 1.00 0.00 C ATOM 1348 O ILE A 87 -8.903 -3.308 -5.223 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.977 -0.689 -3.417 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.813 0.799 -3.033 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -7.748 -1.457 -2.897 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.867 1.069 -1.524 1.00 0.00 C ATOM 0 H ILE A 87 -10.420 0.681 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.063 -0.875 -5.327 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.912 -1.030 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.861 1.160 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.597 1.377 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.650 -1.301 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.871 -2.521 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.852 -1.093 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.744 2.136 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.829 0.742 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.066 0.521 -1.027 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.920 -2.480 -5.621 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.443 -3.738 -6.154 1.00 0.00 C ATOM 1366 C ASN A 88 -11.007 -3.909 -7.595 1.00 0.00 C ATOM 1367 O ASN A 88 -10.466 -4.948 -7.974 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.968 -3.784 -6.113 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.429 -4.188 -4.724 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -13.570 -5.367 -4.427 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.547 -3.232 -3.821 1.00 0.00 N ATOM 0 H ASN A 88 -11.615 -1.737 -5.550 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.048 -4.539 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.378 -2.808 -6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.340 -4.494 -6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.760 -3.469 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.425 -2.256 -4.092 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.303 -2.887 -8.400 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.226 -2.942 -9.852 1.00 0.00 C ATOM 1380 C LYS A 89 -9.819 -3.261 -10.339 1.00 0.00 C ATOM 1381 O LYS A 89 -9.685 -4.021 -11.293 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.750 -1.629 -10.433 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.933 -1.828 -11.382 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.500 -2.240 -12.793 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.720 -2.271 -13.717 1.00 0.00 C ATOM 1386 NZ LYS A 89 -14.184 -0.921 -14.108 1.00 0.00 N ATOM 0 H LYS A 89 -11.609 -1.980 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.854 -3.759 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.051 -0.971 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.943 -1.126 -10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.596 -2.590 -10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.507 -0.903 -11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.759 -1.538 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.026 -3.221 -12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.475 -2.839 -14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.533 -2.798 -13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.934 -1.005 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.557 -0.427 -13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.388 -0.381 -14.503 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.790 -2.688 -9.715 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.394 -2.935 -10.068 1.00 0.00 C ATOM 1402 C ASP A 90 -6.531 -2.494 -8.890 1.00 0.00 C ATOM 1403 O ASP A 90 -5.979 -1.394 -8.924 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.009 -2.181 -11.357 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.065 -2.989 -12.235 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -6.486 -4.029 -12.778 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -4.924 -2.530 -12.467 1.00 0.00 O ATOM 0 H ASP A 90 -8.905 -2.032 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.237 -3.995 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.911 -1.943 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.537 -1.234 -11.095 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.453 -3.274 -7.803 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.750 -2.862 -6.595 1.00 0.00 C ATOM 1414 C PRO A 91 -4.265 -2.627 -6.814 1.00 0.00 C ATOM 1415 O PRO A 91 -3.647 -1.965 -5.983 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.910 -4.006 -5.589 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.477 -5.162 -6.396 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.151 -4.523 -7.596 1.00 0.00 C ATOM 0 HA PRO A 91 -6.172 -1.917 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.954 -4.271 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.580 -3.726 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.689 -5.848 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.189 -5.740 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.080 -5.164 -8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.212 -4.355 -7.409 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.666 -3.165 -7.878 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.222 -3.161 -8.082 1.00 0.00 C ATOM 1428 C GLU A 92 -1.849 -2.514 -9.431 1.00 0.00 C ATOM 1429 O GLU A 92 -0.765 -2.752 -9.971 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.606 -4.553 -7.827 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.402 -5.494 -6.886 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.717 -6.817 -6.513 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.487 -6.972 -6.698 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.436 -7.700 -5.978 1.00 0.00 O ATOM 0 H GLU A 92 -4.181 -3.621 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.761 -2.521 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.483 -5.054 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.609 -4.415 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.624 -4.952 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.357 -5.724 -7.359 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.740 -1.678 -9.973 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.480 -0.773 -11.080 1.00 0.00 C ATOM 1443 C GLY A 93 -3.054 0.599 -10.744 1.00 0.00 C ATOM 1444 O GLY A 93 -2.317 1.482 -10.303 1.00 0.00 O ATOM 0 H GLY A 93 -3.700 -1.616 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.408 -0.698 -11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.932 -1.157 -11.994 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.358 0.805 -10.951 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.002 2.095 -10.726 1.00 0.00 C ATOM 1450 C GLU A 94 -5.405 2.356 -9.272 1.00 0.00 C ATOM 1451 O GLU A 94 -5.269 3.490 -8.812 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.225 2.196 -11.651 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.819 2.612 -13.061 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.108 3.971 -13.070 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.749 4.972 -12.667 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -3.889 4.017 -13.365 1.00 0.00 O ATOM 0 H GLU A 94 -4.994 0.079 -11.280 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.267 2.866 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.738 1.235 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.932 2.920 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.162 1.855 -13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.704 2.660 -13.695 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.897 1.364 -8.534 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.432 1.542 -7.183 1.00 0.00 C ATOM 1465 C GLY A 95 -5.366 1.614 -6.094 1.00 0.00 C ATOM 1466 O GLY A 95 -5.461 0.898 -5.100 1.00 0.00 O ATOM 0 H GLY A 95 -5.937 0.399 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.025 2.456 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.108 0.717 -6.960 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.303 2.398 -6.300 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.274 2.625 -5.285 1.00 0.00 C ATOM 1472 C TRP A 96 -3.749 3.694 -4.299 1.00 0.00 C ATOM 1473 O TRP A 96 -4.756 4.361 -4.550 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.938 2.994 -5.944 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.910 4.222 -6.803 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.329 4.278 -8.088 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.466 5.579 -6.468 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.196 5.564 -8.564 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.691 6.408 -7.603 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.940 6.216 -5.318 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.437 7.782 -7.586 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.697 7.608 -5.288 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.926 8.382 -6.432 1.00 0.00 C ATOM 0 H TRP A 96 -4.133 2.892 -7.176 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.106 1.706 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -1.196 3.117 -5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.618 2.149 -6.553 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.710 3.441 -8.655 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.441 5.854 -9.511 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.719 5.624 -4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.635 8.379 -8.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.335 8.074 -4.384 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.708 9.440 -6.423 1.00 0.00 H new ATOM 1494 N LEU A 97 -3.029 3.842 -3.182 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.399 4.744 -2.097 1.00 0.00 C ATOM 1496 C LEU A 97 -2.458 5.950 -2.129 1.00 0.00 C ATOM 1497 O LEU A 97 -2.872 7.055 -2.468 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.355 4.047 -0.719 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.106 2.705 -0.568 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.278 1.762 0.316 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.471 2.855 0.114 1.00 0.00 C ATOM 0 H LEU A 97 -2.164 3.331 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.430 5.067 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.309 3.877 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.756 4.740 0.020 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.254 2.320 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.802 0.813 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.307 1.588 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.136 2.215 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.949 1.878 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.335 3.272 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.101 3.522 -0.475 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.176 5.753 -1.797 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.190 6.826 -1.714 1.00 0.00 C ATOM 1515 C PHE A 98 1.149 6.399 -2.315 1.00 0.00 C ATOM 1516 O PHE A 98 1.339 5.233 -2.670 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.085 7.338 -0.265 1.00 0.00 C ATOM 1518 CG PHE A 98 0.491 6.390 0.773 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.884 6.308 0.954 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.360 5.665 1.628 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.422 5.538 2.001 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.182 4.895 2.673 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.570 4.845 2.874 1.00 0.00 C ATOM 0 H PHE A 98 -0.795 4.833 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.522 7.669 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.525 8.241 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.083 7.629 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.544 6.840 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.429 5.700 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.492 5.480 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.475 4.338 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.980 4.276 3.696 1.00 0.00 H new ATOM 1533 N LYS A 99 2.093 7.334 -2.428 1.00 0.00 N ATOM 1534 CA LYS A 99 3.481 7.054 -2.785 1.00 0.00 C ATOM 1535 C LYS A 99 4.379 7.704 -1.760 1.00 0.00 C ATOM 1536 O LYS A 99 4.031 8.734 -1.175 1.00 0.00 O ATOM 1537 CB LYS A 99 3.829 7.556 -4.192 1.00 0.00 C ATOM 1538 CG LYS A 99 3.137 6.711 -5.267 1.00 0.00 C ATOM 1539 CD LYS A 99 2.734 7.395 -6.568 1.00 0.00 C ATOM 1540 CE LYS A 99 3.943 7.806 -7.403 1.00 0.00 C ATOM 1541 NZ LYS A 99 3.499 8.331 -8.705 1.00 0.00 N ATOM 0 H LYS A 99 1.909 8.325 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 99 3.628 5.974 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.527 8.598 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.909 7.521 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.799 5.882 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.239 6.279 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.105 6.722 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.134 8.277 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.521 8.564 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.601 6.950 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.206 9.002 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.390 7.545 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.587 8.817 -8.590 1.00 0.00 H new ATOM 1555 N MET A 100 5.542 7.107 -1.540 1.00 0.00 N ATOM 1556 CA MET A 100 6.494 7.572 -0.554 1.00 0.00 C ATOM 1557 C MET A 100 7.909 7.349 -1.049 1.00 0.00 C ATOM 1558 O MET A 100 8.181 6.394 -1.775 1.00 0.00 O ATOM 1559 CB MET A 100 6.265 6.843 0.769 1.00 0.00 C ATOM 1560 CG MET A 100 6.426 5.322 0.662 1.00 0.00 C ATOM 1561 SD MET A 100 7.931 4.749 1.495 1.00 0.00 S ATOM 1562 CE MET A 100 7.453 5.096 3.213 1.00 0.00 C ATOM 0 H MET A 100 5.850 6.278 -2.049 1.00 0.00 H new ATOM 0 HA MET A 100 6.352 8.641 -0.394 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.966 7.224 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.263 7.070 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.557 4.832 1.102 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.458 5.032 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.106 4.546 3.891 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.545 6.165 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.420 4.786 3.373 1.00 0.00 H new ATOM 1572 N GLU A 101 8.791 8.240 -0.626 1.00 0.00 N ATOM 1573 CA GLU A 101 10.225 8.141 -0.740 1.00 0.00 C ATOM 1574 C GLU A 101 10.693 7.040 0.208 1.00 0.00 C ATOM 1575 O GLU A 101 10.487 7.143 1.424 1.00 0.00 O ATOM 1576 CB GLU A 101 10.805 9.521 -0.399 1.00 0.00 C ATOM 1577 CG GLU A 101 12.321 9.634 -0.591 1.00 0.00 C ATOM 1578 CD GLU A 101 12.763 11.091 -0.420 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.516 11.902 -1.344 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.336 11.454 0.636 1.00 0.00 O ATOM 0 H GLU A 101 8.500 9.103 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 101 10.562 7.874 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.315 10.271 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.563 9.758 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.836 9.002 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.598 9.275 -1.582 1.00 0.00 H new ATOM 1587 N ILE A 102 11.287 5.981 -0.347 1.00 0.00 N ATOM 1588 CA ILE A 102 12.075 5.033 0.414 1.00 0.00 C ATOM 1589 C ILE A 102 13.364 5.731 0.846 1.00 0.00 C ATOM 1590 O ILE A 102 14.345 5.840 0.100 1.00 0.00 O ATOM 1591 CB ILE A 102 12.353 3.713 -0.327 1.00 0.00 C ATOM 1592 CG1 ILE A 102 12.783 3.920 -1.794 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.124 2.791 -0.276 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.722 2.846 -2.329 1.00 0.00 C ATOM 0 H ILE A 102 11.229 5.764 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 102 11.497 4.728 1.286 1.00 0.00 H new ATOM 0 HB ILE A 102 13.189 3.246 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.892 3.952 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.271 4.891 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.342 1.864 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.880 2.567 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.277 3.288 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.975 3.067 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.632 2.827 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.232 1.874 -2.275 1.00 0.00 H new ATOM 1606 N SER A 103 13.352 6.215 2.078 1.00 0.00 N ATOM 1607 CA SER A 103 14.563 6.661 2.729 1.00 0.00 C ATOM 1608 C SER A 103 15.557 5.496 2.846 1.00 0.00 C ATOM 1609 O SER A 103 16.766 5.696 2.695 1.00 0.00 O ATOM 1610 CB SER A 103 14.190 7.232 4.095 1.00 0.00 C ATOM 1611 OG SER A 103 13.381 8.384 3.931 1.00 0.00 O ATOM 0 H SER A 103 12.510 6.307 2.646 1.00 0.00 H new ATOM 0 HA SER A 103 15.052 7.440 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.656 6.482 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.092 7.487 4.651 1.00 0.00 H new ATOM 0 HG SER A 103 13.143 8.745 4.811 1.00 0.00 H new ATOM 1617 N ASP A 104 15.058 4.276 3.053 1.00 0.00 N ATOM 1618 CA ASP A 104 15.828 3.134 3.513 1.00 0.00 C ATOM 1619 C ASP A 104 15.429 1.947 2.646 1.00 0.00 C ATOM 1620 O ASP A 104 14.594 1.128 3.040 1.00 0.00 O ATOM 1621 CB ASP A 104 15.557 2.866 5.005 1.00 0.00 C ATOM 1622 CG ASP A 104 15.870 4.075 5.880 1.00 0.00 C ATOM 1623 OD1 ASP A 104 14.985 4.937 6.070 1.00 0.00 O ATOM 1624 OD2 ASP A 104 16.988 4.202 6.423 1.00 0.00 O ATOM 0 H ASP A 104 14.074 4.055 2.898 1.00 0.00 H new ATOM 0 HA ASP A 104 16.898 3.319 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.512 2.587 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.158 2.018 5.334 1.00 0.00 H new ATOM 1629 N GLU A 105 16.025 1.819 1.454 1.00 0.00 N ATOM 1630 CA GLU A 105 15.823 0.634 0.632 1.00 0.00 C ATOM 1631 C GLU A 105 16.413 -0.612 1.335 1.00 0.00 C ATOM 1632 O GLU A 105 16.136 -1.752 0.965 1.00 0.00 O ATOM 1633 CB GLU A 105 16.364 0.884 -0.793 1.00 0.00 C ATOM 1634 CG GLU A 105 17.133 -0.280 -1.422 1.00 0.00 C ATOM 1635 CD GLU A 105 17.692 0.057 -2.802 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.651 0.859 -2.828 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.239 -0.515 -3.826 1.00 0.00 O ATOM 0 H GLU A 105 16.645 2.519 1.046 1.00 0.00 H new ATOM 0 HA GLU A 105 14.760 0.426 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.525 1.135 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.018 1.756 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.953 -0.566 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.473 -1.144 -1.503 1.00 0.00 H new ATOM 1644 N GLY A 106 17.207 -0.390 2.380 1.00 0.00 N ATOM 1645 CA GLY A 106 17.867 -1.419 3.146 1.00 0.00 C ATOM 1646 C GLY A 106 16.879 -2.314 3.877 1.00 0.00 C ATOM 1647 O GLY A 106 17.220 -3.475 4.100 1.00 0.00 O ATOM 0 H GLY A 106 17.409 0.550 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.482 -2.026 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.539 -0.957 3.869 1.00 0.00 H new ATOM 1651 N GLU A 107 15.686 -1.830 4.249 1.00 0.00 N ATOM 1652 CA GLU A 107 14.701 -2.700 4.870 1.00 0.00 C ATOM 1653 C GLU A 107 13.961 -3.522 3.808 1.00 0.00 C ATOM 1654 O GLU A 107 13.611 -4.651 4.130 1.00 0.00 O ATOM 1655 CB GLU A 107 13.749 -1.918 5.790 1.00 0.00 C ATOM 1656 CG GLU A 107 14.432 -1.557 7.133 1.00 0.00 C ATOM 1657 CD GLU A 107 13.431 -1.291 8.266 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.331 -0.759 8.003 1.00 0.00 O ATOM 1659 OE2 GLU A 107 13.715 -1.618 9.448 1.00 0.00 O ATOM 0 H GLU A 107 15.392 -0.861 4.131 1.00 0.00 H new ATOM 0 HA GLU A 107 15.225 -3.406 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.423 -1.006 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.856 -2.513 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.096 -2.370 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.054 -0.673 6.991 1.00 0.00 H new ATOM 1666 N LEU A 108 13.783 -3.047 2.555 1.00 0.00 N ATOM 1667 CA LEU A 108 13.076 -3.753 1.473 1.00 0.00 C ATOM 1668 C LEU A 108 13.429 -5.241 1.439 1.00 0.00 C ATOM 1669 O LEU A 108 12.553 -6.075 1.285 1.00 0.00 O ATOM 1670 CB LEU A 108 13.342 -3.203 0.058 1.00 0.00 C ATOM 1671 CG LEU A 108 13.095 -1.732 -0.254 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.102 -1.520 -1.764 1.00 0.00 C ATOM 1673 CD2 LEU A 108 11.841 -1.143 0.363 1.00 0.00 C ATOM 0 H LEU A 108 14.139 -2.136 2.265 1.00 0.00 H new ATOM 0 HA LEU A 108 12.026 -3.591 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.385 -3.412 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.735 -3.786 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 108 13.915 -1.188 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.925 -0.467 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.069 -1.818 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.317 -2.123 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.756 -0.093 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.968 -1.687 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.897 -1.225 1.449 1.00 0.00 H new ATOM 1685 N GLU A 109 14.706 -5.599 1.535 1.00 0.00 N ATOM 1686 CA GLU A 109 15.139 -6.982 1.334 1.00 0.00 C ATOM 1687 C GLU A 109 14.798 -7.941 2.464 1.00 0.00 C ATOM 1688 O GLU A 109 14.885 -9.155 2.294 1.00 0.00 O ATOM 1689 CB GLU A 109 16.606 -6.991 0.949 1.00 0.00 C ATOM 1690 CG GLU A 109 17.644 -6.211 1.769 1.00 0.00 C ATOM 1691 CD GLU A 109 18.131 -6.882 3.052 1.00 0.00 C ATOM 1692 OE1 GLU A 109 18.141 -8.128 3.157 1.00 0.00 O ATOM 1693 OE2 GLU A 109 18.566 -6.148 3.969 1.00 0.00 O ATOM 0 H GLU A 109 15.463 -4.950 1.751 1.00 0.00 H new ATOM 0 HA GLU A 109 14.551 -7.388 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.926 -8.033 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.669 -6.626 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.508 -6.018 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.218 -5.242 2.029 1.00 0.00 H new ATOM 1700 N ASP A 110 14.368 -7.385 3.581 1.00 0.00 N ATOM 1701 CA ASP A 110 13.714 -8.160 4.645 1.00 0.00 C ATOM 1702 C ASP A 110 12.263 -8.532 4.312 1.00 0.00 C ATOM 1703 O ASP A 110 11.803 -9.598 4.726 1.00 0.00 O ATOM 1704 CB ASP A 110 13.733 -7.434 5.999 1.00 0.00 C ATOM 1705 CG ASP A 110 12.843 -8.121 7.038 1.00 0.00 C ATOM 1706 OD1 ASP A 110 13.190 -9.207 7.546 1.00 0.00 O ATOM 1707 OD2 ASP A 110 11.787 -7.556 7.413 1.00 0.00 O ATOM 0 H ASP A 110 14.456 -6.390 3.786 1.00 0.00 H new ATOM 0 HA ASP A 110 14.303 -9.074 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.756 -7.391 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.400 -6.405 5.862 1.00 0.00 H new ATOM 1712 N LEU A 111 11.505 -7.668 3.624 1.00 0.00 N ATOM 1713 CA LEU A 111 10.103 -7.897 3.300 1.00 0.00 C ATOM 1714 C LEU A 111 9.947 -9.090 2.359 1.00 0.00 C ATOM 1715 O LEU A 111 10.891 -9.632 1.779 1.00 0.00 O ATOM 1716 CB LEU A 111 9.527 -6.652 2.614 1.00 0.00 C ATOM 1717 CG LEU A 111 9.330 -5.366 3.413 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.261 -5.500 4.496 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.615 -4.802 3.943 1.00 0.00 C ATOM 0 H LEU A 111 11.860 -6.778 3.274 1.00 0.00 H new ATOM 0 HA LEU A 111 9.569 -8.104 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.177 -6.415 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.558 -6.929 2.200 1.00 0.00 H new ATOM 0 HG LEU A 111 8.952 -4.633 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.165 -4.555 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.307 -5.755 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.548 -6.285 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.409 -3.889 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.088 -5.531 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.283 -4.576 3.112 1.00 0.00 H new ATOM 1731 N LEU A 112 8.687 -9.463 2.179 1.00 0.00 N ATOM 1732 CA LEU A 112 8.257 -10.562 1.351 1.00 0.00 C ATOM 1733 C LEU A 112 8.489 -10.146 -0.100 1.00 0.00 C ATOM 1734 O LEU A 112 7.957 -9.130 -0.550 1.00 0.00 O ATOM 1735 CB LEU A 112 6.771 -10.841 1.626 1.00 0.00 C ATOM 1736 CG LEU A 112 6.418 -11.093 3.108 1.00 0.00 C ATOM 1737 CD1 LEU A 112 4.943 -10.775 3.341 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.729 -12.522 3.547 1.00 0.00 C ATOM 0 H LEU A 112 7.909 -8.981 2.630 1.00 0.00 H new ATOM 0 HA LEU A 112 8.811 -11.477 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.185 -9.994 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.466 -11.710 1.043 1.00 0.00 H new ATOM 0 HG LEU A 112 7.041 -10.435 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.693 -10.953 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.753 -9.730 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.328 -11.415 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.462 -12.646 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.154 -13.222 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.793 -12.719 3.417 1.00 0.00 H new ATOM 1750 N ASP A 113 9.298 -10.905 -0.829 1.00 0.00 N ATOM 1751 CA ASP A 113 9.384 -10.888 -2.290 1.00 0.00 C ATOM 1752 C ASP A 113 8.037 -11.285 -2.905 1.00 0.00 C ATOM 1753 O ASP A 113 7.079 -11.581 -2.206 1.00 0.00 O ATOM 1754 CB ASP A 113 10.494 -11.849 -2.748 1.00 0.00 C ATOM 1755 CG ASP A 113 11.825 -11.120 -2.875 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.974 -10.411 -3.899 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.683 -11.213 -1.968 1.00 0.00 O ATOM 0 H ASP A 113 9.938 -11.576 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 113 9.627 -9.880 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.590 -12.667 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.224 -12.292 -3.707 1.00 0.00 H new ATOM 1762 N GLU A 114 7.940 -11.332 -4.227 1.00 0.00 N ATOM 1763 CA GLU A 114 6.692 -11.623 -4.943 1.00 0.00 C ATOM 1764 C GLU A 114 6.304 -13.096 -4.792 1.00 0.00 C ATOM 1765 O GLU A 114 5.126 -13.430 -4.641 1.00 0.00 O ATOM 1766 CB GLU A 114 6.891 -11.230 -6.412 1.00 0.00 C ATOM 1767 CG GLU A 114 5.655 -11.375 -7.320 1.00 0.00 C ATOM 1768 CD GLU A 114 5.859 -10.608 -8.651 1.00 0.00 C ATOM 1769 OE1 GLU A 114 6.994 -10.586 -9.188 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.939 -9.897 -9.124 1.00 0.00 O ATOM 0 H GLU A 114 8.734 -11.168 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 114 5.868 -11.047 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.225 -10.193 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.695 -11.839 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.471 -12.429 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.773 -10.993 -6.806 1.00 0.00 H new ATOM 1777 N GLN A 115 7.298 -13.984 -4.809 1.00 0.00 N ATOM 1778 CA GLN A 115 7.157 -15.393 -4.559 1.00 0.00 C ATOM 1779 C GLN A 115 6.827 -15.608 -3.071 1.00 0.00 C ATOM 1780 O GLN A 115 5.928 -16.377 -2.723 1.00 0.00 O ATOM 1781 CB GLN A 115 8.511 -16.001 -4.975 1.00 0.00 C ATOM 1782 CG GLN A 115 8.621 -17.480 -4.645 1.00 0.00 C ATOM 1783 CD GLN A 115 10.040 -18.027 -4.791 1.00 0.00 C ATOM 1784 OE1 GLN A 115 10.683 -17.902 -5.833 1.00 0.00 O ATOM 1785 NE2 GLN A 115 10.566 -18.634 -3.745 1.00 0.00 N ATOM 0 H GLN A 115 8.261 -13.715 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 115 6.348 -15.867 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.652 -15.862 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.315 -15.461 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.279 -17.644 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.953 -18.042 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.024 -18.732 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.515 -19.005 -3.795 1.00 0.00 H new ATOM 1794 N ALA A 116 7.564 -14.925 -2.188 1.00 0.00 N ATOM 1795 CA ALA A 116 7.422 -15.045 -0.737 1.00 0.00 C ATOM 1796 C ALA A 116 6.100 -14.455 -0.243 1.00 0.00 C ATOM 1797 O ALA A 116 5.562 -14.884 0.772 1.00 0.00 O ATOM 1798 CB ALA A 116 8.579 -14.326 -0.049 1.00 0.00 C ATOM 0 H ALA A 116 8.287 -14.263 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 116 7.432 -16.107 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.472 -14.416 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.522 -14.775 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.570 -13.272 -0.328 1.00 0.00 H new ATOM 1804 N TYR A 117 5.566 -13.468 -0.951 1.00 0.00 N ATOM 1805 CA TYR A 117 4.273 -12.873 -0.686 1.00 0.00 C ATOM 1806 C TYR A 117 3.182 -13.921 -0.875 1.00 0.00 C ATOM 1807 O TYR A 117 2.325 -14.086 -0.005 1.00 0.00 O ATOM 1808 CB TYR A 117 4.082 -11.698 -1.645 1.00 0.00 C ATOM 1809 CG TYR A 117 2.640 -11.303 -1.833 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.828 -11.038 -0.717 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.086 -11.357 -3.123 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.440 -10.943 -0.879 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.703 -11.231 -3.302 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.128 -11.086 -2.163 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.484 -11.129 -2.264 1.00 0.00 O ATOM 0 H TYR A 117 6.041 -13.050 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 117 4.215 -12.511 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.640 -10.840 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.509 -11.957 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.271 -10.908 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.729 -11.496 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.194 -10.761 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.276 -11.244 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.739 -11.229 -3.205 1.00 0.00 H new ATOM 1825 N GLN A 118 3.236 -14.646 -1.996 1.00 0.00 N ATOM 1826 CA GLN A 118 2.338 -15.758 -2.247 1.00 0.00 C ATOM 1827 C GLN A 118 2.458 -16.789 -1.114 1.00 0.00 C ATOM 1828 O GLN A 118 1.459 -17.356 -0.667 1.00 0.00 O ATOM 1829 CB GLN A 118 2.599 -16.330 -3.660 1.00 0.00 C ATOM 1830 CG GLN A 118 2.597 -17.865 -3.707 1.00 0.00 C ATOM 1831 CD GLN A 118 2.141 -18.453 -5.029 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.333 -17.874 -6.099 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.483 -19.593 -4.962 1.00 0.00 N ATOM 0 H GLN A 118 3.904 -14.473 -2.748 1.00 0.00 H new ATOM 0 HA GLN A 118 1.299 -15.428 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.838 -15.952 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.561 -15.964 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.604 -18.224 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.949 -18.239 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.341 -20.048 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.116 -20.021 -5.812 1.00 0.00 H new ATOM 1842 N GLU A 119 3.683 -17.059 -0.673 1.00 0.00 N ATOM 1843 CA GLU A 119 3.963 -17.940 0.448 1.00 0.00 C ATOM 1844 C GLU A 119 3.214 -17.457 1.698 1.00 0.00 C ATOM 1845 O GLU A 119 2.517 -18.243 2.330 1.00 0.00 O ATOM 1846 CB GLU A 119 5.479 -18.006 0.666 1.00 0.00 C ATOM 1847 CG GLU A 119 5.943 -19.382 1.132 1.00 0.00 C ATOM 1848 CD GLU A 119 7.402 -19.341 1.590 1.00 0.00 C ATOM 1849 OE1 GLU A 119 8.237 -18.673 0.933 1.00 0.00 O ATOM 1850 OE2 GLU A 119 7.693 -19.968 2.635 1.00 0.00 O ATOM 0 H GLU A 119 4.522 -16.662 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 119 3.609 -18.949 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.988 -17.750 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.769 -17.259 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.310 -19.725 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.833 -20.101 0.321 1.00 0.00 H new