USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 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 180:sc= 0.0501 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.0362 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -120:sc= 0.149 (180deg=-0.634) USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.171 USER MOD Single : A 3 MET CE :methyl -175:sc= 0 (180deg=-0.0558) USER MOD Single : A 5 LYS NZ :NH3+ -145:sc=-0.00311! (180deg=-4.55!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -55:sc= 0.17 USER MOD Single : A 10 HIS : no HE2:sc= -0.935 K(o=-0.93,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00715) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 27 HIS : no HD1:sc= -0.999 K(o=-1,f=-0.17) USER MOD Single : A 29 GLN : amide:sc= 0.36 K(o=0.36,f=-3.2!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.908) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 160:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -32:sc= 1.23 USER MOD Single : A 70 SER OG : rot 180:sc= 0.203 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.798 K(o=-0.8,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.04) USER MOD Single : A 82 THR OG1 : rot -21:sc=0.000444 USER MOD Single : A 88 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0886 (180deg=-0.389) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -175:sc= -0.609 (180deg=-0.692) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.092 K(o=-0.092,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 10.925 -2.467 -8.821 1.00 0.00 N ATOM 41 CA MET A 3 10.911 -3.648 -7.957 1.00 0.00 C ATOM 42 C MET A 3 9.800 -3.574 -6.901 1.00 0.00 C ATOM 43 O MET A 3 9.732 -2.616 -6.120 1.00 0.00 O ATOM 44 CB MET A 3 12.286 -3.705 -7.287 1.00 0.00 C ATOM 45 CG MET A 3 12.457 -4.874 -6.326 1.00 0.00 C ATOM 46 SD MET A 3 13.900 -4.766 -5.244 1.00 0.00 S ATOM 47 CE MET A 3 15.211 -4.897 -6.485 1.00 0.00 C ATOM 0 HA MET A 3 10.709 -4.544 -8.544 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.053 -3.767 -8.059 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.454 -2.774 -6.745 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.563 -4.951 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.524 -5.795 -6.905 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.180 -4.938 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.066 -5.803 -7.073 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.177 -4.028 -7.143 1.00 0.00 H new ATOM 57 N LYS A 4 9.013 -4.639 -6.746 1.00 0.00 N ATOM 58 CA LYS A 4 7.794 -4.686 -5.933 1.00 0.00 C ATOM 59 C LYS A 4 7.866 -5.745 -4.835 1.00 0.00 C ATOM 60 O LYS A 4 7.596 -6.925 -5.065 1.00 0.00 O ATOM 61 CB LYS A 4 6.576 -4.804 -6.871 1.00 0.00 C ATOM 62 CG LYS A 4 5.293 -5.459 -6.321 1.00 0.00 C ATOM 63 CD LYS A 4 4.024 -4.999 -7.053 1.00 0.00 C ATOM 64 CE LYS A 4 4.158 -5.078 -8.577 1.00 0.00 C ATOM 65 NZ LYS A 4 4.499 -3.775 -9.192 1.00 0.00 N ATOM 0 H LYS A 4 9.214 -5.529 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 4 7.682 -3.757 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.318 -3.801 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.887 -5.368 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.381 -6.542 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.199 -5.226 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.183 -5.614 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.796 -3.973 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.927 -5.807 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.222 -5.441 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.752 -3.501 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.581 -3.052 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.404 -3.856 -9.698 1.00 0.00 H new ATOM 79 N LYS A 5 8.251 -5.316 -3.625 1.00 0.00 N ATOM 80 CA LYS A 5 8.078 -6.106 -2.402 1.00 0.00 C ATOM 81 C LYS A 5 6.609 -6.083 -1.953 1.00 0.00 C ATOM 82 O LYS A 5 5.787 -5.428 -2.596 1.00 0.00 O ATOM 83 CB LYS A 5 9.055 -5.653 -1.299 1.00 0.00 C ATOM 84 CG LYS A 5 10.536 -5.968 -1.586 1.00 0.00 C ATOM 85 CD LYS A 5 11.174 -5.267 -2.794 1.00 0.00 C ATOM 86 CE LYS A 5 10.967 -3.746 -2.752 1.00 0.00 C ATOM 87 NZ LYS A 5 11.571 -3.061 -3.918 1.00 0.00 N ATOM 0 H LYS A 5 8.692 -4.410 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 5 8.329 -7.145 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.947 -4.578 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.771 -6.130 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.116 -5.711 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.632 -7.044 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.241 -5.487 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.745 -5.666 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.899 -3.528 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.402 -3.348 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.942 -2.135 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.347 -3.640 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.848 -2.925 -4.654 1.00 0.00 H new ATOM 101 N TYR A 6 6.281 -6.761 -0.847 1.00 0.00 N ATOM 102 CA TYR A 6 4.928 -6.869 -0.290 1.00 0.00 C ATOM 103 C TYR A 6 4.963 -6.834 1.242 1.00 0.00 C ATOM 104 O TYR A 6 6.050 -6.816 1.820 1.00 0.00 O ATOM 105 CB TYR A 6 4.304 -8.194 -0.732 1.00 0.00 C ATOM 106 CG TYR A 6 4.316 -8.472 -2.220 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.468 -9.022 -2.814 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.169 -8.227 -2.999 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.486 -9.308 -4.185 1.00 0.00 C ATOM 110 CE2 TYR A 6 3.170 -8.539 -4.371 1.00 0.00 C ATOM 111 CZ TYR A 6 4.335 -9.077 -4.966 1.00 0.00 C ATOM 112 OH TYR A 6 4.350 -9.382 -6.289 1.00 0.00 O ATOM 0 H TYR A 6 6.975 -7.267 -0.296 1.00 0.00 H new ATOM 0 HA TYR A 6 4.340 -6.026 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.828 -9.005 -0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.270 -8.219 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.341 -9.224 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.288 -7.799 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.380 -9.705 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.286 -8.369 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 6 3.480 -9.165 -6.685 1.00 0.00 H new ATOM 122 N THR A 7 3.809 -6.891 1.922 1.00 0.00 N ATOM 123 CA THR A 7 3.746 -6.924 3.376 1.00 0.00 C ATOM 124 C THR A 7 2.742 -7.959 3.881 1.00 0.00 C ATOM 125 O THR A 7 2.010 -8.598 3.122 1.00 0.00 O ATOM 126 CB THR A 7 3.424 -5.521 3.951 1.00 0.00 C ATOM 127 OG1 THR A 7 2.034 -5.272 3.888 1.00 0.00 O ATOM 128 CG2 THR A 7 4.136 -4.355 3.265 1.00 0.00 C ATOM 0 H THR A 7 2.895 -6.915 1.471 1.00 0.00 H new ATOM 0 HA THR A 7 4.731 -7.224 3.733 1.00 0.00 H new ATOM 0 HB THR A 7 3.792 -5.561 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.844 -4.384 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.843 -3.419 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.215 -4.485 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.858 -4.328 2.211 1.00 0.00 H new ATOM 136 N LYS A 8 2.736 -8.101 5.208 1.00 0.00 N ATOM 137 CA LYS A 8 1.848 -8.984 5.951 1.00 0.00 C ATOM 138 C LYS A 8 0.435 -8.401 6.024 1.00 0.00 C ATOM 139 O LYS A 8 -0.526 -9.159 5.933 1.00 0.00 O ATOM 140 CB LYS A 8 2.400 -9.325 7.356 1.00 0.00 C ATOM 141 CG LYS A 8 3.621 -10.275 7.371 1.00 0.00 C ATOM 142 CD LYS A 8 4.922 -9.650 7.884 1.00 0.00 C ATOM 143 CE LYS A 8 5.325 -8.514 6.960 1.00 0.00 C ATOM 144 NZ LYS A 8 6.552 -7.817 7.402 1.00 0.00 N ATOM 0 H LYS A 8 3.374 -7.583 5.812 1.00 0.00 H new ATOM 0 HA LYS A 8 1.795 -9.926 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.676 -8.396 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.601 -9.777 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.382 -11.139 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.787 -10.644 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.786 -9.278 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.711 -10.401 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.479 -8.908 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.508 -7.795 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.777 -7.053 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.401 -7.415 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.342 -8.492 7.435 1.00 0.00 H new ATOM 158 N THR A 9 0.244 -7.083 6.123 1.00 0.00 N ATOM 159 CA THR A 9 -1.089 -6.486 5.973 1.00 0.00 C ATOM 160 C THR A 9 -1.385 -6.300 4.469 1.00 0.00 C ATOM 161 O THR A 9 -1.784 -5.227 4.028 1.00 0.00 O ATOM 162 CB THR A 9 -1.252 -5.222 6.852 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.576 -4.734 6.740 1.00 0.00 O ATOM 164 CG2 THR A 9 -0.209 -4.161 6.493 1.00 0.00 C ATOM 0 H THR A 9 0.989 -6.411 6.305 1.00 0.00 H new ATOM 0 HA THR A 9 -1.859 -7.155 6.357 1.00 0.00 H new ATOM 0 HB THR A 9 -1.076 -5.484 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.790 -4.583 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.348 -3.285 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.791 -4.566 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.326 -3.875 5.448 1.00 0.00 H new ATOM 172 N HIS A 10 -1.226 -7.362 3.658 1.00 0.00 N ATOM 173 CA HIS A 10 -1.753 -7.442 2.293 1.00 0.00 C ATOM 174 C HIS A 10 -1.558 -6.143 1.483 1.00 0.00 C ATOM 175 O HIS A 10 -2.509 -5.607 0.909 1.00 0.00 O ATOM 176 CB HIS A 10 -3.214 -7.935 2.363 1.00 0.00 C ATOM 177 CG HIS A 10 -4.101 -7.179 3.320 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.446 -5.852 3.190 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.721 -7.678 4.433 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.308 -5.566 4.180 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.502 -6.659 4.941 1.00 0.00 N ATOM 0 H HIS A 10 -0.719 -8.200 3.942 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.173 -8.169 1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.649 -7.876 1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.212 -8.987 2.648 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.110 -5.207 2.475 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.619 -8.675 4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.774 -4.605 4.341 1.00 0.00 H new ATOM 190 N GLU A 11 -0.324 -5.639 1.435 1.00 0.00 N ATOM 191 CA GLU A 11 0.102 -4.529 0.589 1.00 0.00 C ATOM 192 C GLU A 11 1.098 -5.065 -0.425 1.00 0.00 C ATOM 193 O GLU A 11 1.831 -6.021 -0.144 1.00 0.00 O ATOM 194 CB GLU A 11 0.791 -3.400 1.371 1.00 0.00 C ATOM 195 CG GLU A 11 -0.094 -2.580 2.315 1.00 0.00 C ATOM 196 CD GLU A 11 0.758 -1.757 3.292 1.00 0.00 C ATOM 197 OE1 GLU A 11 1.784 -1.184 2.855 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.410 -1.720 4.489 1.00 0.00 O ATOM 0 H GLU A 11 0.434 -6.009 2.008 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.792 -4.112 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.601 -3.836 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.247 -2.718 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.733 -1.914 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.752 -3.246 2.873 1.00 0.00 H new ATOM 205 N TRP A 12 1.190 -4.383 -1.561 1.00 0.00 N ATOM 206 CA TRP A 12 2.345 -4.401 -2.438 1.00 0.00 C ATOM 207 C TRP A 12 3.047 -3.045 -2.313 1.00 0.00 C ATOM 208 O TRP A 12 2.471 -2.058 -1.843 1.00 0.00 O ATOM 209 CB TRP A 12 1.903 -4.703 -3.877 1.00 0.00 C ATOM 210 CG TRP A 12 0.832 -3.813 -4.435 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.481 -4.119 -4.513 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.954 -2.471 -4.995 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.178 -3.059 -5.050 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.337 -2.029 -5.399 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.021 -1.583 -5.224 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.551 -0.790 -6.022 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.809 -0.315 -5.789 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.528 0.084 -6.195 1.00 0.00 C ATOM 0 H TRP A 12 0.438 -3.785 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 12 3.047 -5.186 -2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.777 -4.638 -4.526 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.550 -5.734 -3.919 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.919 -5.055 -4.201 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.190 -3.041 -5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.024 -1.883 -4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.537 -0.514 -6.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.643 0.361 -5.912 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.375 1.057 -6.637 1.00 0.00 H new ATOM 229 N VAL A 13 4.299 -3.000 -2.749 1.00 0.00 N ATOM 230 CA VAL A 13 5.131 -1.812 -2.846 1.00 0.00 C ATOM 231 C VAL A 13 5.607 -1.747 -4.303 1.00 0.00 C ATOM 232 O VAL A 13 5.550 -2.752 -4.995 1.00 0.00 O ATOM 233 CB VAL A 13 6.342 -1.917 -1.891 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.767 -0.499 -1.500 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.071 -2.698 -0.595 1.00 0.00 C ATOM 0 H VAL A 13 4.787 -3.840 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 13 4.577 -0.916 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 13 7.112 -2.466 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.622 -0.548 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.043 0.058 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.939 0.004 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.976 -2.720 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.271 -2.211 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.774 -3.718 -0.840 1.00 0.00 H new ATOM 245 N SER A 14 6.119 -0.618 -4.781 1.00 0.00 N ATOM 246 CA SER A 14 6.557 -0.457 -6.168 1.00 0.00 C ATOM 247 C SER A 14 7.702 0.540 -6.226 1.00 0.00 C ATOM 248 O SER A 14 7.501 1.700 -6.571 1.00 0.00 O ATOM 249 CB SER A 14 5.378 0.035 -7.005 1.00 0.00 C ATOM 250 OG SER A 14 4.776 -1.011 -7.742 1.00 0.00 O ATOM 0 H SER A 14 6.244 0.220 -4.214 1.00 0.00 H new ATOM 0 HA SER A 14 6.906 -1.410 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.635 0.491 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.719 0.811 -7.690 1.00 0.00 H new ATOM 0 HG SER A 14 4.026 -0.655 -8.262 1.00 0.00 H new ATOM 256 N ILE A 15 8.903 0.118 -5.849 1.00 0.00 N ATOM 257 CA ILE A 15 10.107 0.940 -5.877 1.00 0.00 C ATOM 258 C ILE A 15 10.498 1.107 -7.334 1.00 0.00 C ATOM 259 O ILE A 15 11.128 0.233 -7.920 1.00 0.00 O ATOM 260 CB ILE A 15 11.160 0.314 -4.933 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.720 0.781 -3.528 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.615 0.716 -5.215 1.00 0.00 C ATOM 263 CD1 ILE A 15 11.053 -0.088 -2.323 1.00 0.00 C ATOM 0 H ILE A 15 9.071 -0.828 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 15 9.974 1.950 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 15 11.180 -0.768 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.158 1.764 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.638 0.914 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.274 0.224 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.887 0.413 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.719 1.797 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.673 0.385 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.591 -1.068 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.134 -0.204 -2.246 1.00 0.00 H new ATOM 275 N GLU A 16 10.035 2.200 -7.940 1.00 0.00 N ATOM 276 CA GLU A 16 10.395 2.571 -9.295 1.00 0.00 C ATOM 277 C GLU A 16 11.849 3.034 -9.258 1.00 0.00 C ATOM 278 O GLU A 16 12.716 2.350 -9.802 1.00 0.00 O ATOM 279 CB GLU A 16 9.400 3.588 -9.896 1.00 0.00 C ATOM 280 CG GLU A 16 8.868 4.690 -8.966 1.00 0.00 C ATOM 281 CD GLU A 16 7.835 5.570 -9.674 1.00 0.00 C ATOM 282 OE1 GLU A 16 6.634 5.180 -9.702 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.208 6.654 -10.164 1.00 0.00 O ATOM 0 H GLU A 16 9.393 2.855 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 16 10.323 1.724 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.882 4.069 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.546 3.034 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.417 4.237 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.697 5.307 -8.620 1.00 0.00 H new ATOM 290 N ASP A 17 12.120 4.134 -8.551 1.00 0.00 N ATOM 291 CA ASP A 17 13.407 4.822 -8.606 1.00 0.00 C ATOM 292 C ASP A 17 13.877 5.154 -7.192 1.00 0.00 C ATOM 293 O ASP A 17 14.560 4.347 -6.564 1.00 0.00 O ATOM 294 CB ASP A 17 13.300 6.043 -9.542 1.00 0.00 C ATOM 295 CG ASP A 17 14.496 6.105 -10.475 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.656 6.209 -10.027 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.284 6.038 -11.708 1.00 0.00 O ATOM 0 H ASP A 17 11.448 4.573 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 17 14.176 4.178 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.380 5.983 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.244 6.957 -8.951 1.00 0.00 H new ATOM 302 N LYS A 18 13.451 6.295 -6.650 1.00 0.00 N ATOM 303 CA LYS A 18 13.680 6.760 -5.278 1.00 0.00 C ATOM 304 C LYS A 18 12.347 6.947 -4.559 1.00 0.00 C ATOM 305 O LYS A 18 12.312 7.289 -3.380 1.00 0.00 O ATOM 306 CB LYS A 18 14.432 8.106 -5.272 1.00 0.00 C ATOM 307 CG LYS A 18 15.526 8.306 -6.329 1.00 0.00 C ATOM 308 CD LYS A 18 16.670 7.291 -6.266 1.00 0.00 C ATOM 309 CE LYS A 18 17.635 7.494 -7.442 1.00 0.00 C ATOM 310 NZ LYS A 18 18.403 8.756 -7.356 1.00 0.00 N ATOM 0 H LYS A 18 12.902 6.963 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 18 14.281 6.008 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.698 8.903 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.885 8.235 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.070 8.258 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.941 9.308 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.208 7.399 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.267 6.278 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.330 6.655 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.069 7.484 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.072 8.810 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.749 9.564 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.928 8.782 -6.459 1.00 0.00 H new ATOM 324 N VAL A 19 11.247 6.713 -5.265 1.00 0.00 N ATOM 325 CA VAL A 19 9.899 6.728 -4.758 1.00 0.00 C ATOM 326 C VAL A 19 9.408 5.297 -4.934 1.00 0.00 C ATOM 327 O VAL A 19 9.723 4.635 -5.931 1.00 0.00 O ATOM 328 CB VAL A 19 9.078 7.786 -5.526 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.592 7.770 -5.162 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.585 9.201 -5.214 1.00 0.00 C ATOM 0 H VAL A 19 11.285 6.497 -6.261 1.00 0.00 H new ATOM 0 HA VAL A 19 9.810 7.015 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 19 9.200 7.533 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.069 8.536 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.171 6.792 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.476 7.971 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.992 9.930 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.493 9.393 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.631 9.286 -5.509 1.00 0.00 H new ATOM 340 N ALA A 20 8.647 4.814 -3.960 1.00 0.00 N ATOM 341 CA ALA A 20 7.811 3.646 -4.116 1.00 0.00 C ATOM 342 C ALA A 20 6.376 4.092 -4.304 1.00 0.00 C ATOM 343 O ALA A 20 5.994 5.181 -3.876 1.00 0.00 O ATOM 344 CB ALA A 20 7.910 2.761 -2.882 1.00 0.00 C ATOM 0 H ALA A 20 8.597 5.232 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 20 8.143 3.077 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.276 1.884 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.944 2.444 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.582 3.320 -2.006 1.00 0.00 H new ATOM 350 N THR A 21 5.574 3.176 -4.829 1.00 0.00 N ATOM 351 CA THR A 21 4.119 3.276 -4.773 1.00 0.00 C ATOM 352 C THR A 21 3.636 2.171 -3.834 1.00 0.00 C ATOM 353 O THR A 21 4.260 1.114 -3.766 1.00 0.00 O ATOM 354 CB THR A 21 3.479 3.170 -6.178 1.00 0.00 C ATOM 355 OG1 THR A 21 4.086 4.006 -7.148 1.00 0.00 O ATOM 356 CG2 THR A 21 1.987 3.508 -6.154 1.00 0.00 C ATOM 0 H THR A 21 5.913 2.341 -5.307 1.00 0.00 H new ATOM 0 HA THR A 21 3.815 4.253 -4.396 1.00 0.00 H new ATOM 0 HB THR A 21 3.637 2.129 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.635 3.888 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.578 3.421 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.468 2.816 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.851 4.528 -5.794 1.00 0.00 H new ATOM 364 N VAL A 22 2.537 2.402 -3.136 1.00 0.00 N ATOM 365 CA VAL A 22 1.734 1.504 -2.344 1.00 0.00 C ATOM 366 C VAL A 22 0.360 1.270 -2.923 1.00 0.00 C ATOM 367 O VAL A 22 -0.251 2.217 -3.393 1.00 0.00 O ATOM 368 CB VAL A 22 1.722 2.006 -0.888 1.00 0.00 C ATOM 369 CG1 VAL A 22 2.479 3.287 -0.544 1.00 0.00 C ATOM 370 CG2 VAL A 22 0.371 2.027 -0.196 1.00 0.00 C ATOM 0 H VAL A 22 2.144 3.343 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 22 2.185 0.512 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 22 2.320 1.191 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.370 3.500 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.535 3.161 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.073 4.116 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.489 2.398 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.308 2.680 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.039 1.018 -0.168 1.00 0.00 H new ATOM 380 N GLY A 23 -0.167 0.064 -2.757 1.00 0.00 N ATOM 381 CA GLY A 23 -1.588 -0.238 -2.770 1.00 0.00 C ATOM 382 C GLY A 23 -1.780 -1.546 -2.009 1.00 0.00 C ATOM 383 O GLY A 23 -0.799 -2.223 -1.668 1.00 0.00 O ATOM 0 H GLY A 23 0.410 -0.763 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.156 0.566 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.952 -0.332 -3.793 1.00 0.00 H new ATOM 387 N ILE A 24 -3.026 -1.911 -1.706 1.00 0.00 N ATOM 388 CA ILE A 24 -3.298 -3.240 -1.170 1.00 0.00 C ATOM 389 C ILE A 24 -3.368 -4.255 -2.311 1.00 0.00 C ATOM 390 O ILE A 24 -3.570 -3.896 -3.470 1.00 0.00 O ATOM 391 CB ILE A 24 -4.515 -3.274 -0.233 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.792 -2.746 -0.908 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.195 -2.528 1.077 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.038 -2.941 -0.042 1.00 0.00 C ATOM 0 H ILE A 24 -3.847 -1.317 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.466 -3.527 -0.527 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.723 -4.316 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.670 -1.686 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.933 -3.256 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.064 -2.558 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.350 -3.007 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.945 -1.491 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.910 -2.551 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.180 -4.003 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.913 -2.408 0.901 1.00 0.00 H new ATOM 406 N THR A 25 -3.142 -5.526 -1.998 1.00 0.00 N ATOM 407 CA THR A 25 -3.208 -6.604 -2.978 1.00 0.00 C ATOM 408 C THR A 25 -4.672 -6.979 -3.266 1.00 0.00 C ATOM 409 O THR A 25 -5.584 -6.618 -2.517 1.00 0.00 O ATOM 410 CB THR A 25 -2.361 -7.774 -2.443 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.676 -8.033 -1.084 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.871 -7.412 -2.532 1.00 0.00 C ATOM 0 H THR A 25 -2.907 -5.839 -1.056 1.00 0.00 H new ATOM 0 HA THR A 25 -2.796 -6.299 -3.940 1.00 0.00 H new ATOM 0 HB THR A 25 -2.576 -8.658 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.131 -8.780 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.272 -8.240 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.605 -7.217 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.677 -6.521 -1.935 1.00 0.00 H new ATOM 420 N ASN A 26 -4.919 -7.745 -4.331 1.00 0.00 N ATOM 421 CA ASN A 26 -6.261 -8.182 -4.730 1.00 0.00 C ATOM 422 C ASN A 26 -6.891 -9.097 -3.665 1.00 0.00 C ATOM 423 O ASN A 26 -8.103 -9.098 -3.487 1.00 0.00 O ATOM 424 CB ASN A 26 -6.178 -8.872 -6.103 1.00 0.00 C ATOM 425 CG ASN A 26 -7.418 -8.621 -6.949 1.00 0.00 C ATOM 426 OD1 ASN A 26 -7.391 -7.808 -7.864 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.525 -9.287 -6.683 1.00 0.00 N ATOM 0 H ASN A 26 -4.183 -8.085 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.914 -7.313 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.298 -8.512 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.048 -9.945 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.364 -9.126 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.542 -9.963 -5.920 1.00 0.00 H new ATOM 434 N HIS A 27 -6.081 -9.789 -2.860 1.00 0.00 N ATOM 435 CA HIS A 27 -6.506 -10.452 -1.620 1.00 0.00 C ATOM 436 C HIS A 27 -7.315 -9.492 -0.749 1.00 0.00 C ATOM 437 O HIS A 27 -8.373 -9.833 -0.239 1.00 0.00 O ATOM 438 CB HIS A 27 -5.231 -10.943 -0.912 1.00 0.00 C ATOM 439 CG HIS A 27 -5.291 -11.480 0.503 1.00 0.00 C ATOM 440 ND1 HIS A 27 -4.190 -12.028 1.121 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.312 -11.487 1.418 1.00 0.00 C ATOM 442 CE1 HIS A 27 -4.506 -12.323 2.386 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.799 -12.024 2.581 1.00 0.00 N ATOM 0 H HIS A 27 -5.087 -9.908 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.161 -11.298 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.800 -11.727 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.525 -10.113 -0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.322 -11.140 1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.834 -12.733 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.318 -12.170 3.447 1.00 0.00 H new ATOM 452 N ALA A 28 -6.831 -8.276 -0.542 1.00 0.00 N ATOM 453 CA ALA A 28 -7.423 -7.385 0.433 1.00 0.00 C ATOM 454 C ALA A 28 -8.827 -6.927 0.028 1.00 0.00 C ATOM 455 O ALA A 28 -9.724 -6.887 0.879 1.00 0.00 O ATOM 456 CB ALA A 28 -6.490 -6.205 0.566 1.00 0.00 C ATOM 0 H ALA A 28 -6.029 -7.888 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.546 -7.905 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.895 -5.501 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.512 -6.550 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.389 -5.710 -0.400 1.00 0.00 H new ATOM 462 N GLN A 29 -9.025 -6.577 -1.252 1.00 0.00 N ATOM 463 CA GLN A 29 -10.335 -6.146 -1.740 1.00 0.00 C ATOM 464 C GLN A 29 -11.374 -7.270 -1.601 1.00 0.00 C ATOM 465 O GLN A 29 -12.560 -6.993 -1.457 1.00 0.00 O ATOM 466 CB GLN A 29 -10.221 -5.549 -3.161 1.00 0.00 C ATOM 467 CG GLN A 29 -9.767 -6.437 -4.316 1.00 0.00 C ATOM 468 CD GLN A 29 -10.836 -7.422 -4.755 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.842 -7.061 -5.351 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.642 -8.689 -4.469 1.00 0.00 N ATOM 0 H GLN A 29 -8.294 -6.585 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.706 -5.336 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.198 -5.145 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.532 -4.706 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.487 -5.810 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.874 -6.986 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.799 -8.976 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.334 -9.386 -4.744 1.00 0.00 H new ATOM 479 N GLU A 30 -10.933 -8.530 -1.552 1.00 0.00 N ATOM 480 CA GLU A 30 -11.728 -9.733 -1.392 1.00 0.00 C ATOM 481 C GLU A 30 -12.451 -9.769 -0.041 1.00 0.00 C ATOM 482 O GLU A 30 -13.488 -10.414 0.087 1.00 0.00 O ATOM 483 CB GLU A 30 -10.746 -10.910 -1.565 1.00 0.00 C ATOM 484 CG GLU A 30 -11.265 -12.041 -2.433 1.00 0.00 C ATOM 485 CD GLU A 30 -11.875 -13.166 -1.608 1.00 0.00 C ATOM 486 OE1 GLU A 30 -11.097 -13.917 -0.976 1.00 0.00 O ATOM 487 OE2 GLU A 30 -13.114 -13.343 -1.663 1.00 0.00 O ATOM 0 H GLU A 30 -9.938 -8.742 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.528 -9.781 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.819 -10.533 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.499 -11.308 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.013 -11.652 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.449 -12.437 -3.037 1.00 0.00 H new ATOM 494 N GLN A 31 -11.944 -9.059 0.972 1.00 0.00 N ATOM 495 CA GLN A 31 -12.520 -9.074 2.315 1.00 0.00 C ATOM 496 C GLN A 31 -13.425 -7.870 2.559 1.00 0.00 C ATOM 497 O GLN A 31 -14.473 -8.012 3.197 1.00 0.00 O ATOM 498 CB GLN A 31 -11.400 -9.106 3.357 1.00 0.00 C ATOM 499 CG GLN A 31 -10.550 -10.376 3.224 1.00 0.00 C ATOM 500 CD GLN A 31 -9.552 -10.506 4.365 1.00 0.00 C ATOM 501 OE1 GLN A 31 -9.139 -9.526 4.981 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.087 -11.704 4.652 1.00 0.00 N ATOM 0 H GLN A 31 -11.124 -8.459 0.881 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.134 -9.970 2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.766 -8.227 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.830 -9.057 4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.201 -11.250 3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.016 -10.359 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.428 -12.519 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.386 -11.817 5.384 1.00 0.00 H new ATOM 511 N LEU A 32 -13.013 -6.684 2.095 1.00 0.00 N ATOM 512 CA LEU A 32 -13.778 -5.458 2.306 1.00 0.00 C ATOM 513 C LEU A 32 -14.876 -5.291 1.263 1.00 0.00 C ATOM 514 O LEU A 32 -15.898 -4.692 1.588 1.00 0.00 O ATOM 515 CB LEU A 32 -12.877 -4.215 2.331 1.00 0.00 C ATOM 516 CG LEU A 32 -11.927 -4.094 3.542 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.563 -2.620 3.792 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.465 -4.656 4.860 1.00 0.00 C ATOM 0 H LEU A 32 -12.149 -6.552 1.569 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.248 -5.554 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.277 -4.207 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.512 -3.329 2.302 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.065 -4.699 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.893 -2.551 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.068 -2.213 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.470 -2.050 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.720 -4.521 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.380 -4.130 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.679 -5.718 4.742 1.00 0.00 H new ATOM 530 N GLY A 33 -14.718 -5.839 0.057 1.00 0.00 N ATOM 531 CA GLY A 33 -15.720 -5.738 -0.990 1.00 0.00 C ATOM 532 C GLY A 33 -15.910 -4.296 -1.435 1.00 0.00 C ATOM 533 O GLY A 33 -14.929 -3.581 -1.677 1.00 0.00 O ATOM 0 H GLY A 33 -13.888 -6.365 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.421 -6.348 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.668 -6.138 -0.629 1.00 0.00 H new ATOM 537 N ASP A 34 -17.175 -3.891 -1.548 1.00 0.00 N ATOM 538 CA ASP A 34 -17.551 -2.522 -1.866 1.00 0.00 C ATOM 539 C ASP A 34 -17.033 -1.656 -0.733 1.00 0.00 C ATOM 540 O ASP A 34 -17.420 -1.821 0.429 1.00 0.00 O ATOM 541 CB ASP A 34 -19.067 -2.316 -2.010 1.00 0.00 C ATOM 542 CG ASP A 34 -19.654 -2.892 -3.297 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.026 -2.792 -4.372 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.783 -3.444 -3.227 1.00 0.00 O ATOM 0 H ASP A 34 -17.972 -4.514 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.122 -2.260 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.568 -2.775 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.283 -1.248 -1.970 1.00 0.00 H new ATOM 549 N VAL A 35 -16.125 -0.749 -1.069 1.00 0.00 N ATOM 550 CA VAL A 35 -15.705 0.290 -0.155 1.00 0.00 C ATOM 551 C VAL A 35 -16.668 1.477 -0.316 1.00 0.00 C ATOM 552 O VAL A 35 -17.708 1.400 -0.970 1.00 0.00 O ATOM 553 CB VAL A 35 -14.219 0.649 -0.362 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.594 1.192 0.931 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.313 -0.526 -0.714 1.00 0.00 C ATOM 0 H VAL A 35 -15.665 -0.718 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.760 -0.050 0.879 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.261 1.365 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.547 1.436 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.128 2.089 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.663 0.437 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.290 -0.172 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.346 -1.264 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.655 -0.984 -1.642 1.00 0.00 H new ATOM 565 N VAL A 36 -16.314 2.570 0.333 1.00 0.00 N ATOM 566 CA VAL A 36 -17.047 3.784 0.591 1.00 0.00 C ATOM 567 C VAL A 36 -16.049 4.921 0.778 1.00 0.00 C ATOM 568 O VAL A 36 -16.341 6.038 0.355 1.00 0.00 O ATOM 569 CB VAL A 36 -17.890 3.641 1.871 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.219 2.924 1.601 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.163 2.968 3.037 1.00 0.00 C ATOM 0 H VAL A 36 -15.382 2.628 0.743 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.713 3.989 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.087 4.667 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.784 2.843 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.797 3.492 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.021 1.926 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.831 2.909 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.858 1.963 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.281 3.552 3.302 1.00 0.00 H new ATOM 581 N TYR A 37 -14.889 4.652 1.396 1.00 0.00 N ATOM 582 CA TYR A 37 -13.894 5.685 1.652 1.00 0.00 C ATOM 583 C TYR A 37 -12.498 5.083 1.797 1.00 0.00 C ATOM 584 O TYR A 37 -12.356 3.909 2.141 1.00 0.00 O ATOM 585 CB TYR A 37 -14.303 6.456 2.915 1.00 0.00 C ATOM 586 CG TYR A 37 -13.339 7.545 3.344 1.00 0.00 C ATOM 587 CD1 TYR A 37 -12.990 8.576 2.451 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.785 7.518 4.636 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.088 9.575 2.851 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.849 8.490 5.032 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.500 9.523 4.133 1.00 0.00 C ATOM 592 OH TYR A 37 -10.674 10.529 4.520 1.00 0.00 O ATOM 0 H TYR A 37 -14.624 3.724 1.725 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.854 6.371 0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.282 6.905 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.414 5.747 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.416 8.598 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.081 6.745 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.844 10.383 2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.401 8.447 6.014 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.347 10.353 5.427 1.00 0.00 H new ATOM 602 N VAL A 38 -11.465 5.892 1.555 1.00 0.00 N ATOM 603 CA VAL A 38 -10.084 5.570 1.877 1.00 0.00 C ATOM 604 C VAL A 38 -9.430 6.841 2.375 1.00 0.00 C ATOM 605 O VAL A 38 -9.651 7.934 1.844 1.00 0.00 O ATOM 606 CB VAL A 38 -9.330 4.813 0.743 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.247 4.350 -0.404 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.136 5.560 0.116 1.00 0.00 C ATOM 0 H VAL A 38 -11.573 6.808 1.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.041 4.829 2.676 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.939 3.953 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.654 3.831 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.007 3.675 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.730 5.216 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.687 4.941 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.482 6.497 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.394 5.771 0.886 1.00 0.00 H new ATOM 618 N ASP A 39 -8.664 6.661 3.443 1.00 0.00 N ATOM 619 CA ASP A 39 -7.872 7.655 4.132 1.00 0.00 C ATOM 620 C ASP A 39 -6.451 7.599 3.590 1.00 0.00 C ATOM 621 O ASP A 39 -5.987 6.520 3.219 1.00 0.00 O ATOM 622 CB ASP A 39 -7.892 7.322 5.642 1.00 0.00 C ATOM 623 CG ASP A 39 -6.789 8.009 6.452 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.858 9.236 6.677 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.871 7.301 6.945 1.00 0.00 O ATOM 0 H ASP A 39 -8.578 5.743 3.879 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.270 8.658 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.860 7.608 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.799 6.243 5.766 1.00 0.00 H new ATOM 630 N LEU A 40 -5.770 8.744 3.488 1.00 0.00 N ATOM 631 CA LEU A 40 -4.444 8.848 2.892 1.00 0.00 C ATOM 632 C LEU A 40 -3.581 9.797 3.738 1.00 0.00 C ATOM 633 O LEU A 40 -4.112 10.703 4.381 1.00 0.00 O ATOM 634 CB LEU A 40 -4.527 9.382 1.444 1.00 0.00 C ATOM 635 CG LEU A 40 -5.181 8.507 0.360 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.592 7.097 0.238 1.00 0.00 C ATOM 637 CD2 LEU A 40 -6.703 8.558 0.337 1.00 0.00 C ATOM 0 H LEU A 40 -6.134 9.636 3.824 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.996 7.855 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.068 10.328 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.511 9.605 1.117 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.890 8.993 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.113 6.552 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.532 7.165 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.712 6.570 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.077 7.912 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.093 8.217 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.030 9.582 0.156 1.00 0.00 H new ATOM 649 N PRO A 41 -2.247 9.666 3.719 1.00 0.00 N ATOM 650 CA PRO A 41 -1.344 10.588 4.403 1.00 0.00 C ATOM 651 C PRO A 41 -1.249 11.957 3.700 1.00 0.00 C ATOM 652 O PRO A 41 -2.012 12.253 2.784 1.00 0.00 O ATOM 653 CB PRO A 41 0.000 9.861 4.473 1.00 0.00 C ATOM 654 CG PRO A 41 -0.102 8.646 3.541 1.00 0.00 C ATOM 655 CD PRO A 41 -1.527 8.623 3.013 1.00 0.00 C ATOM 0 HA PRO A 41 -1.709 10.836 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.812 10.519 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.217 9.547 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.613 8.724 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.127 7.725 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.545 8.800 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.988 7.650 3.184 1.00 0.00 H new ATOM 663 N GLU A 42 -0.320 12.819 4.130 1.00 0.00 N ATOM 664 CA GLU A 42 0.006 14.092 3.514 1.00 0.00 C ATOM 665 C GLU A 42 1.358 14.015 2.794 1.00 0.00 C ATOM 666 O GLU A 42 2.186 13.175 3.134 1.00 0.00 O ATOM 667 CB GLU A 42 0.032 15.108 4.650 1.00 0.00 C ATOM 668 CG GLU A 42 0.121 16.543 4.144 1.00 0.00 C ATOM 669 CD GLU A 42 1.527 17.116 3.940 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.510 16.549 4.470 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.652 18.145 3.237 1.00 0.00 O ATOM 0 H GLU A 42 0.247 12.630 4.957 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.724 14.375 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.867 14.994 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.883 14.901 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.411 16.602 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.409 17.185 4.847 1.00 0.00 H new ATOM 678 N VAL A 43 1.601 14.909 1.831 1.00 0.00 N ATOM 679 CA VAL A 43 2.671 14.854 0.823 1.00 0.00 C ATOM 680 C VAL A 43 4.092 15.181 1.349 1.00 0.00 C ATOM 681 O VAL A 43 5.045 15.349 0.585 1.00 0.00 O ATOM 682 CB VAL A 43 2.207 15.734 -0.366 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.749 17.164 -0.328 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.536 15.098 -1.716 1.00 0.00 C ATOM 0 H VAL A 43 1.022 15.742 1.726 1.00 0.00 H new ATOM 0 HA VAL A 43 2.810 13.823 0.498 1.00 0.00 H new ATOM 0 HB VAL A 43 1.125 15.795 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.380 17.716 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.415 17.655 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.839 17.141 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.192 15.750 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.614 14.957 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.037 14.132 -1.794 1.00 0.00 H new ATOM 694 N GLY A 44 4.254 15.288 2.658 1.00 0.00 N ATOM 695 CA GLY A 44 5.520 15.446 3.352 1.00 0.00 C ATOM 696 C GLY A 44 5.524 14.730 4.700 1.00 0.00 C ATOM 697 O GLY A 44 6.426 14.962 5.508 1.00 0.00 O ATOM 0 H GLY A 44 3.461 15.266 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.326 15.055 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.721 16.507 3.504 1.00 0.00 H new ATOM 701 N ARG A 45 4.536 13.878 4.992 1.00 0.00 N ATOM 702 CA ARG A 45 4.492 13.131 6.245 1.00 0.00 C ATOM 703 C ARG A 45 5.610 12.091 6.242 1.00 0.00 C ATOM 704 O ARG A 45 5.676 11.276 5.328 1.00 0.00 O ATOM 705 CB ARG A 45 3.102 12.497 6.402 1.00 0.00 C ATOM 706 CG ARG A 45 2.998 11.762 7.741 1.00 0.00 C ATOM 707 CD ARG A 45 1.567 11.322 8.044 1.00 0.00 C ATOM 708 NE ARG A 45 1.507 10.713 9.380 1.00 0.00 N ATOM 709 CZ ARG A 45 1.382 11.387 10.528 1.00 0.00 C ATOM 710 NH1 ARG A 45 0.929 12.639 10.556 1.00 0.00 N ATOM 711 NH2 ARG A 45 1.740 10.793 11.653 1.00 0.00 N ATOM 0 H ARG A 45 3.751 13.690 4.368 1.00 0.00 H new ATOM 0 HA ARG A 45 4.653 13.787 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.335 13.269 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.918 11.802 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.650 10.889 7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.354 12.412 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.895 12.179 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.229 10.608 7.293 1.00 0.00 H new ATOM 0 HE ARG A 45 1.565 9.696 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.668 13.106 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.843 13.131 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.103 9.840 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.654 11.288 12.541 1.00 0.00 H new ATOM 725 N GLU A 46 6.480 12.074 7.248 1.00 0.00 N ATOM 726 CA GLU A 46 7.377 10.931 7.450 1.00 0.00 C ATOM 727 C GLU A 46 6.561 9.789 8.064 1.00 0.00 C ATOM 728 O GLU A 46 5.700 10.056 8.907 1.00 0.00 O ATOM 729 CB GLU A 46 8.531 11.289 8.397 1.00 0.00 C ATOM 730 CG GLU A 46 9.792 11.703 7.628 1.00 0.00 C ATOM 731 CD GLU A 46 11.075 11.404 8.407 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.254 10.250 8.861 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.965 12.286 8.446 1.00 0.00 O ATOM 0 H GLU A 46 6.586 12.825 7.930 1.00 0.00 H new ATOM 0 HA GLU A 46 7.805 10.640 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.223 12.102 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.758 10.433 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.820 11.179 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.745 12.769 7.406 1.00 0.00 H new ATOM 740 N VAL A 47 6.855 8.530 7.735 1.00 0.00 N ATOM 741 CA VAL A 47 6.171 7.343 8.256 1.00 0.00 C ATOM 742 C VAL A 47 7.192 6.226 8.472 1.00 0.00 C ATOM 743 O VAL A 47 8.265 6.243 7.861 1.00 0.00 O ATOM 744 CB VAL A 47 5.052 6.880 7.289 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.118 8.041 6.922 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.572 6.242 5.988 1.00 0.00 C ATOM 0 H VAL A 47 7.600 8.300 7.077 1.00 0.00 H new ATOM 0 HA VAL A 47 5.702 7.592 9.208 1.00 0.00 H new ATOM 0 HB VAL A 47 4.511 6.111 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.344 7.684 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.654 8.435 7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.692 8.830 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.728 5.945 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.184 6.964 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.172 5.364 6.228 1.00 0.00 H new ATOM 756 N LYS A 48 6.834 5.202 9.251 1.00 0.00 N ATOM 757 CA LYS A 48 7.608 3.982 9.339 1.00 0.00 C ATOM 758 C LYS A 48 6.855 2.818 8.719 1.00 0.00 C ATOM 759 O LYS A 48 5.643 2.899 8.516 1.00 0.00 O ATOM 760 CB LYS A 48 7.953 3.679 10.790 1.00 0.00 C ATOM 761 CG LYS A 48 8.760 4.804 11.439 1.00 0.00 C ATOM 762 CD LYS A 48 9.459 4.334 12.710 1.00 0.00 C ATOM 763 CE LYS A 48 8.466 3.857 13.771 1.00 0.00 C ATOM 764 NZ LYS A 48 9.010 4.073 15.121 1.00 0.00 N ATOM 0 H LYS A 48 5.998 5.205 9.835 1.00 0.00 H new ATOM 0 HA LYS A 48 8.534 4.123 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.034 3.521 11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.522 2.751 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.502 5.175 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.099 5.638 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.146 3.523 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.059 5.149 13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.523 4.393 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.249 2.799 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.323 3.744 15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.898 3.542 15.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.194 5.087 15.263 1.00 0.00 H new ATOM 778 N LYS A 49 7.576 1.711 8.554 1.00 0.00 N ATOM 779 CA LYS A 49 7.226 0.383 8.037 1.00 0.00 C ATOM 780 C LYS A 49 6.084 -0.322 8.783 1.00 0.00 C ATOM 781 O LYS A 49 5.962 -1.548 8.713 1.00 0.00 O ATOM 782 CB LYS A 49 8.531 -0.427 8.105 1.00 0.00 C ATOM 783 CG LYS A 49 8.627 -1.715 7.255 1.00 0.00 C ATOM 784 CD LYS A 49 9.528 -2.776 7.903 1.00 0.00 C ATOM 785 CE LYS A 49 8.933 -3.284 9.223 1.00 0.00 C ATOM 786 NZ LYS A 49 9.874 -4.122 9.983 1.00 0.00 N ATOM 0 H LYS A 49 8.561 1.725 8.817 1.00 0.00 H new ATOM 0 HA LYS A 49 6.832 0.476 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.349 0.230 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.702 -0.700 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.629 -2.128 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.014 -1.467 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.660 -3.612 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.516 -2.354 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.635 -2.432 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.030 -3.857 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.516 -4.256 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.969 -5.047 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.803 -3.656 10.019 1.00 0.00 H new ATOM 800 N GLY A 50 5.271 0.382 9.555 1.00 0.00 N ATOM 801 CA GLY A 50 4.166 -0.206 10.293 1.00 0.00 C ATOM 802 C GLY A 50 3.126 0.791 10.792 1.00 0.00 C ATOM 803 O GLY A 50 2.437 0.463 11.757 1.00 0.00 O ATOM 0 H GLY A 50 5.362 1.389 9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.670 -0.938 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.567 -0.749 11.148 1.00 0.00 H new ATOM 807 N GLU A 51 2.980 1.974 10.184 1.00 0.00 N ATOM 808 CA GLU A 51 2.083 3.025 10.680 1.00 0.00 C ATOM 809 C GLU A 51 0.782 3.114 9.848 1.00 0.00 C ATOM 810 O GLU A 51 0.839 2.929 8.631 1.00 0.00 O ATOM 811 CB GLU A 51 2.858 4.353 10.724 1.00 0.00 C ATOM 812 CG GLU A 51 3.382 4.707 12.129 1.00 0.00 C ATOM 813 CD GLU A 51 4.769 4.164 12.491 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.993 2.930 12.618 1.00 0.00 O ATOM 815 OE2 GLU A 51 5.659 5.011 12.725 1.00 0.00 O ATOM 0 H GLU A 51 3.481 2.230 9.333 1.00 0.00 H new ATOM 0 HA GLU A 51 1.756 2.780 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.699 4.298 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.210 5.156 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.404 5.793 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.667 4.338 12.864 1.00 0.00 H new ATOM 822 N VAL A 52 -0.362 3.406 10.495 1.00 0.00 N ATOM 823 CA VAL A 52 -1.762 3.332 10.007 1.00 0.00 C ATOM 824 C VAL A 52 -2.144 4.522 9.094 1.00 0.00 C ATOM 825 O VAL A 52 -3.241 5.080 9.128 1.00 0.00 O ATOM 826 CB VAL A 52 -2.708 3.120 11.229 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.211 3.278 10.972 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.433 1.759 11.875 1.00 0.00 C ATOM 0 H VAL A 52 -0.333 3.730 11.462 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.875 2.471 9.348 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.462 3.943 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.759 3.106 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.415 4.287 10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.530 2.554 10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.098 1.620 12.727 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.607 0.968 11.146 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.397 1.719 12.213 1.00 0.00 H new ATOM 838 N VAL A 53 -1.231 4.976 8.250 1.00 0.00 N ATOM 839 CA VAL A 53 -1.403 6.256 7.567 1.00 0.00 C ATOM 840 C VAL A 53 -2.374 6.233 6.378 1.00 0.00 C ATOM 841 O VAL A 53 -2.460 7.236 5.670 1.00 0.00 O ATOM 842 CB VAL A 53 -0.023 6.788 7.156 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.782 7.161 8.401 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.762 5.778 6.305 1.00 0.00 C ATOM 0 H VAL A 53 -0.368 4.484 8.020 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.879 6.930 8.279 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.184 7.673 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.760 7.538 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.251 7.932 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.909 6.280 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.731 6.201 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.910 4.860 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.202 5.555 5.397 1.00 0.00 H new ATOM 854 N ALA A 54 -3.048 5.114 6.097 1.00 0.00 N ATOM 855 CA ALA A 54 -3.858 4.981 4.894 1.00 0.00 C ATOM 856 C ALA A 54 -5.019 4.011 5.104 1.00 0.00 C ATOM 857 O ALA A 54 -5.143 3.002 4.409 1.00 0.00 O ATOM 858 CB ALA A 54 -2.950 4.553 3.741 1.00 0.00 C ATOM 0 H ALA A 54 -3.045 4.286 6.693 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.313 5.941 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.542 4.449 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.178 5.307 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.482 3.598 3.981 1.00 0.00 H new ATOM 864 N SER A 55 -5.827 4.262 6.124 1.00 0.00 N ATOM 865 CA SER A 55 -6.947 3.402 6.468 1.00 0.00 C ATOM 866 C SER A 55 -7.994 3.311 5.349 1.00 0.00 C ATOM 867 O SER A 55 -7.991 4.075 4.385 1.00 0.00 O ATOM 868 CB SER A 55 -7.532 3.923 7.771 1.00 0.00 C ATOM 869 OG SER A 55 -6.767 3.422 8.849 1.00 0.00 O ATOM 0 H SER A 55 -5.723 5.070 6.737 1.00 0.00 H new ATOM 0 HA SER A 55 -6.600 2.377 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.525 5.013 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.572 3.610 7.869 1.00 0.00 H new ATOM 0 HG SER A 55 -7.136 3.754 9.694 1.00 0.00 H new ATOM 875 N ILE A 56 -8.882 2.323 5.465 1.00 0.00 N ATOM 876 CA ILE A 56 -9.863 1.989 4.447 1.00 0.00 C ATOM 877 C ILE A 56 -11.146 1.617 5.195 1.00 0.00 C ATOM 878 O ILE A 56 -11.231 0.506 5.733 1.00 0.00 O ATOM 879 CB ILE A 56 -9.337 0.839 3.541 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.832 0.914 3.183 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.239 0.768 2.294 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.362 -0.177 2.218 1.00 0.00 C ATOM 0 H ILE A 56 -8.936 1.724 6.289 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.058 2.824 3.774 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.397 -0.087 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.623 1.889 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.248 0.848 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.893 -0.032 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.266 0.568 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.197 1.717 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.298 -0.053 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.536 -1.156 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.917 -0.100 1.283 1.00 0.00 H new ATOM 894 N GLU A 57 -12.122 2.524 5.288 1.00 0.00 N ATOM 895 CA GLU A 57 -13.439 2.208 5.821 1.00 0.00 C ATOM 896 C GLU A 57 -14.242 1.620 4.678 1.00 0.00 C ATOM 897 O GLU A 57 -14.365 2.256 3.644 1.00 0.00 O ATOM 898 CB GLU A 57 -14.173 3.449 6.376 1.00 0.00 C ATOM 899 CG GLU A 57 -14.345 3.365 7.895 1.00 0.00 C ATOM 900 CD GLU A 57 -15.696 3.910 8.378 1.00 0.00 C ATOM 901 OE1 GLU A 57 -15.925 5.148 8.402 1.00 0.00 O ATOM 902 OE2 GLU A 57 -16.533 3.079 8.802 1.00 0.00 O ATOM 0 H GLU A 57 -12.016 3.495 4.995 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.329 1.515 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.613 4.349 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.151 3.537 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.246 2.326 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.542 3.922 8.377 1.00 0.00 H new ATOM 909 N SER A 58 -14.808 0.433 4.863 1.00 0.00 N ATOM 910 CA SER A 58 -15.757 -0.196 3.954 1.00 0.00 C ATOM 911 C SER A 58 -17.171 -0.082 4.520 1.00 0.00 C ATOM 912 O SER A 58 -17.385 0.535 5.569 1.00 0.00 O ATOM 913 CB SER A 58 -15.342 -1.643 3.699 1.00 0.00 C ATOM 914 OG SER A 58 -15.324 -2.362 4.916 1.00 0.00 O ATOM 0 H SER A 58 -14.610 -0.140 5.683 1.00 0.00 H new ATOM 0 HA SER A 58 -15.754 0.317 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.036 -2.111 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.356 -1.671 3.236 1.00 0.00 H new ATOM 0 HG SER A 58 -15.377 -3.323 4.729 1.00 0.00 H new ATOM 920 N VAL A 59 -18.138 -0.707 3.849 1.00 0.00 N ATOM 921 CA VAL A 59 -19.545 -0.695 4.206 1.00 0.00 C ATOM 922 C VAL A 59 -19.795 -1.066 5.676 1.00 0.00 C ATOM 923 O VAL A 59 -20.718 -0.491 6.265 1.00 0.00 O ATOM 924 CB VAL A 59 -20.329 -1.579 3.213 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.418 -0.886 1.845 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.718 -2.976 3.024 1.00 0.00 C ATOM 0 H VAL A 59 -17.949 -1.255 3.010 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.916 0.327 4.122 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.320 -1.713 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.973 -1.518 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.930 0.070 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.414 -0.717 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.319 -3.543 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.701 -2.880 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.699 -3.497 3.981 1.00 0.00 H new ATOM 936 N LYS A 60 -18.983 -1.936 6.310 1.00 0.00 N ATOM 937 CA LYS A 60 -19.040 -2.118 7.766 1.00 0.00 C ATOM 938 C LYS A 60 -17.743 -2.697 8.358 1.00 0.00 C ATOM 939 O LYS A 60 -17.796 -3.496 9.294 1.00 0.00 O ATOM 940 CB LYS A 60 -20.281 -2.958 8.160 1.00 0.00 C ATOM 941 CG LYS A 60 -20.665 -2.878 9.654 1.00 0.00 C ATOM 942 CD LYS A 60 -21.869 -1.987 9.965 1.00 0.00 C ATOM 943 CE LYS A 60 -21.637 -0.522 9.574 1.00 0.00 C ATOM 944 NZ LYS A 60 -22.190 0.414 10.573 1.00 0.00 N ATOM 0 H LYS A 60 -18.289 -2.516 5.839 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.141 -1.126 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.131 -2.629 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.094 -4.000 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.875 -3.885 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.806 -2.511 10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.743 -2.366 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.092 -2.044 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -20.568 -0.342 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.096 -0.329 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.011 1.392 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -23.215 0.261 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.734 0.249 11.493 1.00 0.00 H new ATOM 958 N ALA A 61 -16.568 -2.313 7.865 1.00 0.00 N ATOM 959 CA ALA A 61 -15.299 -2.680 8.497 1.00 0.00 C ATOM 960 C ALA A 61 -14.253 -1.608 8.217 1.00 0.00 C ATOM 961 O ALA A 61 -14.473 -0.755 7.358 1.00 0.00 O ATOM 962 CB ALA A 61 -14.825 -4.035 7.964 1.00 0.00 C ATOM 0 H ALA A 61 -16.466 -1.744 7.024 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.444 -2.757 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.881 -4.302 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.572 -4.796 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.684 -3.973 6.885 1.00 0.00 H new ATOM 968 N ALA A 62 -13.102 -1.696 8.881 1.00 0.00 N ATOM 969 CA ALA A 62 -11.956 -0.821 8.706 1.00 0.00 C ATOM 970 C ALA A 62 -10.716 -1.696 8.581 1.00 0.00 C ATOM 971 O ALA A 62 -10.439 -2.488 9.486 1.00 0.00 O ATOM 972 CB ALA A 62 -11.824 0.130 9.898 1.00 0.00 C ATOM 0 H ALA A 62 -12.941 -2.414 9.587 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.078 -0.212 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.961 0.779 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.725 0.738 9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.692 -0.449 10.812 1.00 0.00 H new ATOM 978 N ALA A 63 -9.982 -1.565 7.477 1.00 0.00 N ATOM 979 CA ALA A 63 -8.594 -2.004 7.408 1.00 0.00 C ATOM 980 C ALA A 63 -7.727 -0.797 7.769 1.00 0.00 C ATOM 981 O ALA A 63 -8.064 0.336 7.420 1.00 0.00 O ATOM 982 CB ALA A 63 -8.269 -2.530 6.005 1.00 0.00 C ATOM 0 H ALA A 63 -10.332 -1.154 6.612 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.404 -2.824 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.229 -2.854 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.920 -3.373 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.427 -1.737 5.274 1.00 0.00 H new ATOM 988 N ASP A 64 -6.623 -1.011 8.474 1.00 0.00 N ATOM 989 CA ASP A 64 -5.550 -0.067 8.690 1.00 0.00 C ATOM 990 C ASP A 64 -4.465 -0.548 7.724 1.00 0.00 C ATOM 991 O ASP A 64 -4.020 -1.699 7.821 1.00 0.00 O ATOM 992 CB ASP A 64 -5.029 -0.170 10.139 1.00 0.00 C ATOM 993 CG ASP A 64 -6.033 -0.625 11.199 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.920 0.184 11.565 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.929 -1.789 11.652 1.00 0.00 O ATOM 0 H ASP A 64 -6.449 -1.904 8.935 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.854 0.968 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.186 -0.861 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.644 0.806 10.432 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.081 0.259 6.737 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.902 -0.042 5.934 1.00 0.00 C ATOM 1002 C VAL A 65 -1.699 0.322 6.815 1.00 0.00 C ATOM 1003 O VAL A 65 -1.590 1.482 7.216 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.937 0.765 4.632 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.644 0.676 3.812 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.102 0.274 3.757 1.00 0.00 C ATOM 0 H VAL A 65 -4.565 1.118 6.477 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.850 -1.090 5.637 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.062 1.807 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.746 1.273 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.811 1.055 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.455 -0.363 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.128 0.847 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.964 -0.782 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.041 0.408 4.293 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.818 -0.630 7.139 1.00 0.00 N ATOM 1017 CA TYR A 66 0.346 -0.385 7.988 1.00 0.00 C ATOM 1018 C TYR A 66 1.598 -0.301 7.127 1.00 0.00 C ATOM 1019 O TYR A 66 2.210 -1.331 6.826 1.00 0.00 O ATOM 1020 CB TYR A 66 0.563 -1.467 9.053 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.548 -1.693 10.042 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -1.533 -2.649 9.763 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.564 -1.002 11.262 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -2.553 -2.908 10.680 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.559 -1.282 12.212 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.583 -2.208 11.911 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.612 -2.367 12.781 1.00 0.00 O ATOM 0 H TYR A 66 -0.895 -1.595 6.817 1.00 0.00 H new ATOM 0 HA TYR A 66 0.153 0.554 8.507 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.757 -2.410 8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.465 -1.216 9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.503 -3.191 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.188 -0.255 11.471 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.315 -3.638 10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.542 -0.790 13.173 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.438 -2.541 12.283 1.00 0.00 H new ATOM 1037 N ALA A 67 1.983 0.941 6.832 1.00 0.00 N ATOM 1038 CA ALA A 67 2.813 1.350 5.708 1.00 0.00 C ATOM 1039 C ALA A 67 4.008 0.433 5.410 1.00 0.00 C ATOM 1040 O ALA A 67 4.622 -0.133 6.317 1.00 0.00 O ATOM 1041 CB ALA A 67 3.285 2.788 5.939 1.00 0.00 C ATOM 0 H ALA A 67 1.704 1.734 7.410 1.00 0.00 H new ATOM 0 HA ALA A 67 2.184 1.276 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.908 3.105 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.420 3.447 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.863 2.837 6.862 1.00 0.00 H new ATOM 1047 N PRO A 68 4.414 0.306 4.138 1.00 0.00 N ATOM 1048 CA PRO A 68 5.205 -0.846 3.735 1.00 0.00 C ATOM 1049 C PRO A 68 6.693 -0.730 4.037 1.00 0.00 C ATOM 1050 O PRO A 68 7.332 -1.750 4.259 1.00 0.00 O ATOM 1051 CB PRO A 68 4.985 -0.979 2.235 1.00 0.00 C ATOM 1052 CG PRO A 68 4.701 0.452 1.793 1.00 0.00 C ATOM 1053 CD PRO A 68 3.956 1.057 2.978 1.00 0.00 C ATOM 0 HA PRO A 68 4.883 -1.718 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.863 -1.388 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.151 -1.643 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.622 0.995 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.098 0.478 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.179 2.119 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.877 0.968 2.852 1.00 0.00 H new ATOM 1061 N LEU A 69 7.251 0.476 3.986 1.00 0.00 N ATOM 1062 CA LEU A 69 8.647 0.815 4.237 1.00 0.00 C ATOM 1063 C LEU A 69 8.601 1.930 5.273 1.00 0.00 C ATOM 1064 O LEU A 69 7.534 2.508 5.522 1.00 0.00 O ATOM 1065 CB LEU A 69 9.336 1.349 2.967 1.00 0.00 C ATOM 1066 CG LEU A 69 9.866 0.341 1.936 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.939 -0.590 2.517 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.752 -0.451 1.256 1.00 0.00 C ATOM 0 H LEU A 69 6.699 1.301 3.751 1.00 0.00 H new ATOM 0 HA LEU A 69 9.206 -0.061 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.628 2.002 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.174 1.971 3.282 1.00 0.00 H new ATOM 0 HG LEU A 69 10.346 0.941 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.278 -1.281 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.783 0.003 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.519 -1.154 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.186 -1.147 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.191 -1.007 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.083 0.235 0.737 1.00 0.00 H new ATOM 1080 N SER A 70 9.749 2.290 5.828 1.00 0.00 N ATOM 1081 CA SER A 70 9.908 3.595 6.436 1.00 0.00 C ATOM 1082 C SER A 70 10.313 4.590 5.336 1.00 0.00 C ATOM 1083 O SER A 70 10.770 4.194 4.258 1.00 0.00 O ATOM 1084 CB SER A 70 10.906 3.453 7.586 1.00 0.00 C ATOM 1085 OG SER A 70 10.404 2.590 8.600 1.00 0.00 O ATOM 0 H SER A 70 10.578 1.697 5.868 1.00 0.00 H new ATOM 0 HA SER A 70 8.990 3.990 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.849 3.061 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.117 4.434 8.011 1.00 0.00 H new ATOM 0 HG SER A 70 11.063 2.516 9.322 1.00 0.00 H new ATOM 1091 N GLY A 71 10.085 5.888 5.526 1.00 0.00 N ATOM 1092 CA GLY A 71 10.258 6.850 4.445 1.00 0.00 C ATOM 1093 C GLY A 71 9.375 8.066 4.650 1.00 0.00 C ATOM 1094 O GLY A 71 8.828 8.274 5.732 1.00 0.00 O ATOM 0 H GLY A 71 9.782 6.293 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.302 7.159 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.017 6.378 3.492 1.00 0.00 H new ATOM 1098 N LYS A 72 9.211 8.879 3.610 1.00 0.00 N ATOM 1099 CA LYS A 72 8.407 10.094 3.682 1.00 0.00 C ATOM 1100 C LYS A 72 7.456 10.113 2.503 1.00 0.00 C ATOM 1101 O LYS A 72 7.879 9.925 1.366 1.00 0.00 O ATOM 1102 CB LYS A 72 9.344 11.303 3.726 1.00 0.00 C ATOM 1103 CG LYS A 72 8.658 12.649 4.007 1.00 0.00 C ATOM 1104 CD LYS A 72 9.250 13.762 3.127 1.00 0.00 C ATOM 1105 CE LYS A 72 9.165 15.122 3.821 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.351 16.225 2.862 1.00 0.00 N ATOM 0 H LYS A 72 9.631 8.714 2.695 1.00 0.00 H new ATOM 0 HA LYS A 72 7.800 10.128 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.099 11.130 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.868 11.372 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.588 12.562 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.777 12.910 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.291 13.533 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.716 13.801 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.197 15.223 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.924 15.183 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.288 17.134 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.285 16.141 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.611 16.179 2.133 1.00 0.00 H new ATOM 1120 N ILE A 73 6.168 10.258 2.778 1.00 0.00 N ATOM 1121 CA ILE A 73 5.115 10.326 1.780 1.00 0.00 C ATOM 1122 C ILE A 73 5.367 11.572 0.943 1.00 0.00 C ATOM 1123 O ILE A 73 5.745 12.603 1.499 1.00 0.00 O ATOM 1124 CB ILE A 73 3.742 10.393 2.471 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.555 9.335 3.577 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.582 10.321 1.459 1.00 0.00 C ATOM 1127 CD1 ILE A 73 4.079 7.936 3.274 1.00 0.00 C ATOM 0 H ILE A 73 5.818 10.334 3.733 1.00 0.00 H new ATOM 0 HA ILE A 73 5.117 9.441 1.144 1.00 0.00 H new ATOM 0 HB ILE A 73 3.719 11.368 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.047 9.695 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.491 9.260 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.632 10.372 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.654 11.157 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.639 9.383 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.889 7.284 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.572 7.540 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.151 7.982 3.084 1.00 0.00 H new ATOM 1139 N VAL A 74 5.157 11.471 -0.371 1.00 0.00 N ATOM 1140 CA VAL A 74 5.379 12.562 -1.317 1.00 0.00 C ATOM 1141 C VAL A 74 4.419 12.465 -2.514 1.00 0.00 C ATOM 1142 O VAL A 74 4.557 13.222 -3.470 1.00 0.00 O ATOM 1143 CB VAL A 74 6.857 12.577 -1.787 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.831 12.998 -0.677 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.322 11.227 -2.357 1.00 0.00 C ATOM 0 H VAL A 74 4.823 10.615 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 74 5.171 13.503 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 74 6.877 13.322 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.850 12.990 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.581 14.002 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.755 12.301 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.364 11.303 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.227 10.457 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.705 10.963 -3.216 1.00 0.00 H new ATOM 1155 N GLU A 75 3.447 11.544 -2.500 1.00 0.00 N ATOM 1156 CA GLU A 75 2.323 11.554 -3.428 1.00 0.00 C ATOM 1157 C GLU A 75 1.218 10.699 -2.785 1.00 0.00 C ATOM 1158 O GLU A 75 1.510 9.801 -1.989 1.00 0.00 O ATOM 1159 CB GLU A 75 2.797 11.002 -4.789 1.00 0.00 C ATOM 1160 CG GLU A 75 2.544 11.954 -5.970 1.00 0.00 C ATOM 1161 CD GLU A 75 3.373 11.593 -7.216 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.588 11.304 -7.084 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.819 11.537 -8.335 1.00 0.00 O ATOM 0 H GLU A 75 3.424 10.768 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 75 1.932 12.554 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.864 10.787 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.291 10.056 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.485 11.934 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.780 12.974 -5.666 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.045 10.948 -3.117 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.223 10.190 -2.678 1.00 0.00 C ATOM 1172 C VAL A 76 -2.204 10.101 -3.856 1.00 0.00 C ATOM 1173 O VAL A 76 -1.959 10.726 -4.888 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.872 10.832 -1.433 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.888 10.996 -0.263 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.504 12.188 -1.758 1.00 0.00 C ATOM 0 H VAL A 76 -0.293 11.724 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.928 9.184 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.652 10.137 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.402 11.452 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.504 10.019 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.059 11.634 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.950 12.607 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.737 12.866 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.275 12.057 -2.517 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.302 9.350 -3.722 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.205 9.071 -4.834 1.00 0.00 C ATOM 1188 C ASN A 77 -5.591 9.634 -4.525 1.00 0.00 C ATOM 1189 O ASN A 77 -6.473 8.897 -4.082 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.224 7.554 -5.115 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.639 7.183 -6.534 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.636 8.001 -7.447 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.988 5.923 -6.735 1.00 0.00 N ATOM 0 H ASN A 77 -3.586 8.921 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.856 9.563 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.231 7.148 -4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.906 7.075 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.263 5.612 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.982 5.262 -5.958 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.823 10.927 -4.790 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.124 11.585 -4.606 1.00 0.00 C ATOM 1202 C GLU A 78 -8.234 10.907 -5.418 1.00 0.00 C ATOM 1203 O GLU A 78 -9.421 11.097 -5.163 1.00 0.00 O ATOM 1204 CB GLU A 78 -7.050 13.061 -5.041 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.419 14.052 -4.056 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.091 15.361 -4.791 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.016 16.137 -5.136 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -4.908 15.587 -5.123 1.00 0.00 O ATOM 0 H GLU A 78 -5.101 11.555 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.361 11.508 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.490 13.110 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.063 13.400 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.103 14.247 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.513 13.627 -3.625 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.857 10.074 -6.384 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.740 9.208 -7.154 1.00 0.00 C ATOM 1217 C LYS A 79 -9.576 8.325 -6.239 1.00 0.00 C ATOM 1218 O LYS A 79 -10.754 8.100 -6.513 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.891 8.343 -8.096 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.184 9.215 -9.137 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.724 8.469 -10.388 1.00 0.00 C ATOM 1222 CE LYS A 79 -7.892 8.437 -11.382 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.490 7.880 -12.684 1.00 0.00 N ATOM 0 H LYS A 79 -6.880 9.981 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.426 9.826 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.153 7.785 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.525 7.611 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.858 10.018 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.317 9.683 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.861 8.966 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.413 7.456 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.705 7.841 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.277 9.447 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.338 7.639 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.928 8.584 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.920 7.023 -12.534 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.988 7.830 -5.153 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.643 6.901 -4.241 1.00 0.00 C ATOM 1239 C LEU A 80 -10.659 7.649 -3.379 1.00 0.00 C ATOM 1240 O LEU A 80 -11.557 7.026 -2.816 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.583 6.175 -3.389 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.754 5.078 -4.102 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.301 3.698 -3.747 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.746 5.115 -5.635 1.00 0.00 C ATOM 0 H LEU A 80 -8.034 8.066 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.187 6.145 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.893 6.921 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.085 5.721 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.740 5.274 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.713 2.932 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.241 3.549 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.341 3.626 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.132 4.298 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.765 5.007 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.335 6.066 -5.974 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.596 8.984 -3.332 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.616 9.784 -2.664 1.00 0.00 C ATOM 1258 C ASP A 81 -12.949 9.736 -3.420 1.00 0.00 C ATOM 1259 O ASP A 81 -13.996 10.012 -2.830 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.156 11.237 -2.490 1.00 0.00 C ATOM 1261 CG ASP A 81 -11.930 11.943 -1.369 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.191 11.329 -0.315 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.214 13.160 -1.521 1.00 0.00 O ATOM 0 H ASP A 81 -9.844 9.531 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.769 9.351 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.090 11.257 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.295 11.778 -3.426 1.00 0.00 H new ATOM 1268 N THR A 82 -12.939 9.349 -4.704 1.00 0.00 N ATOM 1269 CA THR A 82 -14.126 9.376 -5.556 1.00 0.00 C ATOM 1270 C THR A 82 -14.405 8.037 -6.255 1.00 0.00 C ATOM 1271 O THR A 82 -15.533 7.805 -6.696 1.00 0.00 O ATOM 1272 CB THR A 82 -14.038 10.563 -6.528 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.027 10.384 -7.510 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.777 11.910 -5.850 1.00 0.00 C ATOM 0 H THR A 82 -12.102 9.008 -5.178 1.00 0.00 H new ATOM 0 HA THR A 82 -14.997 9.525 -4.917 1.00 0.00 H new ATOM 0 HB THR A 82 -15.026 10.585 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.371 9.730 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.729 12.694 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.585 12.128 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.831 11.868 -5.310 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.428 7.129 -6.310 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.580 5.719 -6.659 1.00 0.00 C ATOM 1284 C GLU A 83 -12.880 4.895 -5.563 1.00 0.00 C ATOM 1285 O GLU A 83 -11.810 4.322 -5.775 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.926 5.433 -8.009 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.570 6.033 -9.260 1.00 0.00 C ATOM 1288 CD GLU A 83 -14.846 5.309 -9.704 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.783 4.085 -10.002 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -15.879 5.994 -9.856 1.00 0.00 O ATOM 0 H GLU A 83 -12.460 7.373 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.636 5.459 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.896 5.785 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.888 4.351 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.805 7.080 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.848 6.011 -10.076 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.444 4.823 -4.357 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.899 3.992 -3.294 1.00 0.00 C ATOM 1299 C PRO A 84 -13.051 2.512 -3.664 1.00 0.00 C ATOM 1300 O PRO A 84 -12.289 1.662 -3.207 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.670 4.383 -2.035 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.954 5.040 -2.546 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.624 5.541 -3.950 1.00 0.00 C ATOM 0 HA PRO A 84 -11.832 4.143 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.891 3.510 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.093 5.071 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.778 4.327 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.260 5.861 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.451 5.355 -4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.446 6.616 -3.949 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.996 2.191 -4.552 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.133 0.864 -5.115 1.00 0.00 C ATOM 1313 C GLU A 85 -13.030 0.523 -6.130 1.00 0.00 C ATOM 1314 O GLU A 85 -12.940 -0.641 -6.498 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.528 0.687 -5.735 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.737 1.518 -7.009 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.143 1.354 -7.590 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.146 1.737 -6.938 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.272 0.930 -8.758 1.00 0.00 O ATOM 0 H GLU A 85 -14.688 2.857 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.017 0.158 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.684 -0.367 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.283 0.966 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.560 2.570 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.001 1.222 -7.757 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.163 1.442 -6.591 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.149 1.112 -7.606 1.00 0.00 C ATOM 1328 C LEU A 86 -10.141 0.089 -7.088 1.00 0.00 C ATOM 1329 O LEU A 86 -9.453 -0.557 -7.873 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.366 2.369 -8.032 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.086 2.546 -9.537 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -8.596 2.716 -9.756 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.480 1.411 -10.481 1.00 0.00 C ATOM 0 H LEU A 86 -12.144 2.413 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.690 0.695 -8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.916 3.244 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.410 2.366 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.712 3.404 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.397 2.841 -10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.247 3.596 -9.215 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.071 1.833 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.221 1.682 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.947 0.503 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.554 1.237 -10.413 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.065 -0.081 -5.771 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.293 -1.128 -5.129 1.00 0.00 C ATOM 1347 C ILE A 87 -9.814 -2.502 -5.576 1.00 0.00 C ATOM 1348 O ILE A 87 -9.045 -3.449 -5.664 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.369 -0.958 -3.597 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -9.094 0.497 -3.156 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.335 -1.871 -2.933 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.079 0.742 -1.643 1.00 0.00 C ATOM 0 H ILE A 87 -10.552 0.523 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.246 -1.057 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.381 -1.222 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.132 0.805 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.851 1.142 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.387 -1.753 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.544 -2.908 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.337 -1.603 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.877 1.795 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.048 0.473 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.301 0.132 -1.183 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.104 -2.637 -5.888 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.649 -3.844 -6.496 1.00 0.00 C ATOM 1366 C ASN A 88 -11.134 -3.961 -7.925 1.00 0.00 C ATOM 1367 O ASN A 88 -10.723 -5.027 -8.376 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.182 -3.806 -6.537 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.803 -4.009 -5.155 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.304 -5.081 -4.839 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.724 -3.016 -4.287 1.00 0.00 N ATOM 0 H ASN A 88 -11.799 -1.909 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.333 -4.697 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.509 -2.849 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.545 -4.580 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.083 -3.137 -3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.304 -2.129 -4.564 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.234 -2.852 -8.657 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.196 -2.824 -10.109 1.00 0.00 C ATOM 1380 C LYS A 89 -9.782 -2.847 -10.680 1.00 0.00 C ATOM 1381 O LYS A 89 -9.620 -3.363 -11.784 1.00 0.00 O ATOM 1382 CB LYS A 89 -12.002 -1.607 -10.585 1.00 0.00 C ATOM 1383 CG LYS A 89 -13.257 -2.022 -11.365 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.997 -2.265 -12.860 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.859 -0.965 -13.668 1.00 0.00 C ATOM 1386 NZ LYS A 89 -14.079 -0.126 -13.604 1.00 0.00 N ATOM 0 H LYS A 89 -11.346 -1.928 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.650 -3.739 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.292 -1.004 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.373 -0.979 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.666 -2.931 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.015 -1.246 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.087 -2.854 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.814 -2.857 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.010 -0.395 -13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.643 -1.209 -14.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.066 0.565 -14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.921 -0.730 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.107 0.377 -12.694 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.769 -2.311 -9.997 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.375 -2.447 -10.430 1.00 0.00 C ATOM 1402 C ASP A 90 -6.416 -2.188 -9.256 1.00 0.00 C ATOM 1403 O ASP A 90 -5.681 -1.196 -9.282 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.082 -1.509 -11.635 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.084 -2.109 -12.642 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.639 -3.263 -12.474 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.752 -1.412 -13.642 1.00 0.00 O ATOM 0 H ASP A 90 -8.888 -1.776 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.211 -3.471 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.017 -1.286 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.689 -0.563 -11.263 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.405 -3.025 -8.198 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.721 -2.710 -6.941 1.00 0.00 C ATOM 1414 C PRO A 91 -4.221 -2.456 -7.081 1.00 0.00 C ATOM 1415 O PRO A 91 -3.620 -1.870 -6.184 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.956 -3.888 -5.991 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.577 -4.989 -6.844 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.110 -4.292 -8.096 1.00 0.00 C ATOM 0 HA PRO A 91 -6.135 -1.774 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.020 -4.221 -5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.619 -3.605 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.838 -5.747 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.379 -5.495 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.939 -4.903 -8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.186 -4.132 -8.022 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.601 -2.911 -8.170 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.159 -2.860 -8.363 1.00 0.00 C ATOM 1428 C GLU A 92 -1.759 -1.952 -9.523 1.00 0.00 C ATOM 1429 O GLU A 92 -0.562 -1.749 -9.768 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.548 -4.263 -8.452 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.276 -5.358 -7.642 1.00 0.00 C ATOM 1432 CD GLU A 92 -3.358 -6.100 -8.443 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -4.005 -5.471 -9.325 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -3.538 -7.310 -8.177 1.00 0.00 O ATOM 0 H GLU A 92 -4.099 -3.332 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.731 -2.399 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.526 -4.565 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.513 -4.212 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.543 -6.080 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.734 -4.904 -6.763 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.743 -1.368 -10.209 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.547 -0.427 -11.298 1.00 0.00 C ATOM 1443 C GLY A 93 -2.921 0.959 -10.813 1.00 0.00 C ATOM 1444 O GLY A 93 -2.063 1.727 -10.375 1.00 0.00 O ATOM 0 H GLY A 93 -3.727 -1.547 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.509 -0.444 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.161 -0.706 -12.154 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.215 1.269 -10.881 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.766 2.587 -10.590 1.00 0.00 C ATOM 1450 C GLU A 94 -5.332 2.669 -9.176 1.00 0.00 C ATOM 1451 O GLU A 94 -5.304 3.745 -8.583 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.846 2.899 -11.632 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.218 3.406 -12.927 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.963 4.917 -12.884 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.916 5.679 -13.144 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -3.807 5.329 -12.615 1.00 0.00 O ATOM 0 H GLU A 94 -4.927 0.589 -11.148 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.968 3.327 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.433 2.003 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.533 3.648 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.278 2.884 -13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.875 3.172 -13.765 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.770 1.555 -8.588 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.309 1.532 -7.234 1.00 0.00 C ATOM 1465 C GLY A 95 -5.192 1.480 -6.182 1.00 0.00 C ATOM 1466 O GLY A 95 -5.325 0.753 -5.201 1.00 0.00 O ATOM 0 H GLY A 95 -5.759 0.642 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.922 2.418 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.961 0.667 -7.116 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.094 2.219 -6.373 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.008 2.401 -5.406 1.00 0.00 C ATOM 1472 C TRP A 96 -3.452 3.329 -4.271 1.00 0.00 C ATOM 1473 O TRP A 96 -4.491 3.983 -4.412 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.767 2.898 -6.170 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.836 4.191 -6.922 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.323 4.327 -8.174 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.372 5.524 -6.525 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.232 5.640 -8.572 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.658 6.421 -7.595 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.777 6.083 -5.368 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.393 7.791 -7.516 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.503 7.468 -5.281 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.781 8.309 -6.370 1.00 0.00 C ATOM 0 H TRP A 96 -3.932 2.728 -7.242 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.745 1.461 -4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.952 2.981 -5.451 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.487 2.121 -6.881 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.724 3.524 -8.774 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.549 5.990 -9.476 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.528 5.440 -4.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.659 8.445 -8.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.080 7.879 -4.376 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.522 9.356 -6.323 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.711 3.370 -3.142 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.037 4.280 -2.048 1.00 0.00 C ATOM 1496 C LEU A 97 -2.024 5.416 -2.035 1.00 0.00 C ATOM 1497 O LEU A 97 -2.455 6.537 -2.294 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.114 3.629 -0.664 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.921 2.336 -0.497 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.130 1.396 0.403 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.306 2.574 0.121 1.00 0.00 C ATOM 0 H LEU A 97 -1.892 2.785 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.046 4.643 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.094 3.425 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.527 4.366 0.024 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.082 1.909 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.685 0.468 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.165 1.179 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.973 1.868 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.831 1.623 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.192 3.024 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.880 3.244 -0.519 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.714 5.190 -1.739 1.00 0.00 N ATOM 1514 CA PHE A 98 0.148 6.382 -1.672 1.00 0.00 C ATOM 1515 C PHE A 98 1.503 6.165 -2.331 1.00 0.00 C ATOM 1516 O PHE A 98 1.748 5.104 -2.906 1.00 0.00 O ATOM 1517 CB PHE A 98 0.180 6.939 -0.236 1.00 0.00 C ATOM 1518 CG PHE A 98 0.647 6.005 0.863 1.00 0.00 C ATOM 1519 CD1 PHE A 98 -0.260 5.138 1.502 1.00 0.00 C ATOM 1520 CD2 PHE A 98 1.986 6.031 1.284 1.00 0.00 C ATOM 1521 CE1 PHE A 98 0.174 4.309 2.553 1.00 0.00 C ATOM 1522 CE2 PHE A 98 2.409 5.222 2.357 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.504 4.356 2.986 1.00 0.00 C ATOM 0 H PHE A 98 -0.274 4.287 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.289 7.174 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.826 7.817 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.824 7.280 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.292 5.109 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.695 6.674 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.522 3.634 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.433 5.269 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.832 3.728 3.801 1.00 0.00 H new ATOM 1533 N LYS A 99 2.380 7.166 -2.284 1.00 0.00 N ATOM 1534 CA LYS A 99 3.773 7.048 -2.678 1.00 0.00 C ATOM 1535 C LYS A 99 4.644 7.699 -1.633 1.00 0.00 C ATOM 1536 O LYS A 99 4.219 8.622 -0.937 1.00 0.00 O ATOM 1537 CB LYS A 99 4.048 7.715 -4.024 1.00 0.00 C ATOM 1538 CG LYS A 99 3.211 7.135 -5.168 1.00 0.00 C ATOM 1539 CD LYS A 99 3.983 7.053 -6.481 1.00 0.00 C ATOM 1540 CE LYS A 99 4.335 8.438 -7.005 1.00 0.00 C ATOM 1541 NZ LYS A 99 5.049 8.382 -8.291 1.00 0.00 N ATOM 0 H LYS A 99 2.131 8.101 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 99 3.998 5.986 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.847 8.783 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.105 7.608 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.866 6.139 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.323 7.751 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.895 6.475 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.387 6.522 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.423 9.022 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.952 8.956 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.268 9.348 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.933 7.847 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.451 7.912 -9.000 1.00 0.00 H new ATOM 1555 N MET A 100 5.882 7.238 -1.550 1.00 0.00 N ATOM 1556 CA MET A 100 6.822 7.662 -0.534 1.00 0.00 C ATOM 1557 C MET A 100 8.230 7.587 -1.093 1.00 0.00 C ATOM 1558 O MET A 100 8.560 6.612 -1.768 1.00 0.00 O ATOM 1559 CB MET A 100 6.702 6.803 0.738 1.00 0.00 C ATOM 1560 CG MET A 100 5.948 5.464 0.604 1.00 0.00 C ATOM 1561 SD MET A 100 5.918 4.404 2.088 1.00 0.00 S ATOM 1562 CE MET A 100 7.485 4.792 2.926 1.00 0.00 C ATOM 0 H MET A 100 6.264 6.549 -2.198 1.00 0.00 H new ATOM 0 HA MET A 100 6.592 8.690 -0.255 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.708 6.592 1.101 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.205 7.398 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.919 5.678 0.315 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.397 4.898 -0.212 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.607 4.139 3.790 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.314 4.639 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.474 5.831 3.255 1.00 0.00 H new ATOM 1572 N GLU A 101 9.040 8.596 -0.780 1.00 0.00 N ATOM 1573 CA GLU A 101 10.486 8.570 -0.891 1.00 0.00 C ATOM 1574 C GLU A 101 10.981 7.422 -0.017 1.00 0.00 C ATOM 1575 O GLU A 101 10.617 7.340 1.166 1.00 0.00 O ATOM 1576 CB GLU A 101 11.065 9.918 -0.429 1.00 0.00 C ATOM 1577 CG GLU A 101 12.593 9.976 -0.600 1.00 0.00 C ATOM 1578 CD GLU A 101 13.206 11.271 -0.056 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.636 12.363 -0.248 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.307 11.205 0.553 1.00 0.00 O ATOM 0 H GLU A 101 8.687 9.486 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 101 10.807 8.416 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.605 10.725 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.811 10.083 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.043 9.125 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.839 9.880 -1.658 1.00 0.00 H new ATOM 1587 N ILE A 102 11.776 6.531 -0.605 1.00 0.00 N ATOM 1588 CA ILE A 102 12.449 5.482 0.127 1.00 0.00 C ATOM 1589 C ILE A 102 13.719 6.041 0.752 1.00 0.00 C ATOM 1590 O ILE A 102 14.765 6.109 0.108 1.00 0.00 O ATOM 1591 CB ILE A 102 12.717 4.246 -0.745 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.287 4.516 -2.155 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.394 3.488 -0.891 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.963 3.312 -2.818 1.00 0.00 C ATOM 0 H ILE A 102 11.967 6.524 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 102 11.794 5.134 0.926 1.00 0.00 H new ATOM 0 HB ILE A 102 13.496 3.682 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.477 4.860 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.009 5.330 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.548 2.602 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.036 3.188 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.655 4.134 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.331 3.598 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.798 2.978 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.242 2.501 -2.922 1.00 0.00 H new ATOM 1606 N SER A 103 13.617 6.429 2.016 1.00 0.00 N ATOM 1607 CA SER A 103 14.772 6.824 2.805 1.00 0.00 C ATOM 1608 C SER A 103 15.705 5.633 3.048 1.00 0.00 C ATOM 1609 O SER A 103 16.912 5.838 3.153 1.00 0.00 O ATOM 1610 CB SER A 103 14.306 7.424 4.135 1.00 0.00 C ATOM 1611 OG SER A 103 13.378 8.481 3.931 1.00 0.00 O ATOM 0 H SER A 103 12.732 6.478 2.521 1.00 0.00 H new ATOM 0 HA SER A 103 15.333 7.577 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.846 6.647 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.167 7.796 4.690 1.00 0.00 H new ATOM 0 HG SER A 103 13.098 8.842 4.798 1.00 0.00 H new ATOM 1617 N ASP A 104 15.186 4.395 3.109 1.00 0.00 N ATOM 1618 CA ASP A 104 15.938 3.242 3.598 1.00 0.00 C ATOM 1619 C ASP A 104 15.566 2.006 2.804 1.00 0.00 C ATOM 1620 O ASP A 104 14.848 1.112 3.254 1.00 0.00 O ATOM 1621 CB ASP A 104 15.853 3.007 5.113 1.00 0.00 C ATOM 1622 CG ASP A 104 15.040 4.017 5.925 1.00 0.00 C ATOM 1623 OD1 ASP A 104 15.433 5.196 6.075 1.00 0.00 O ATOM 1624 OD2 ASP A 104 13.941 3.649 6.385 1.00 0.00 O ATOM 0 H ASP A 104 14.234 4.172 2.819 1.00 0.00 H new ATOM 0 HA ASP A 104 16.990 3.473 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.428 2.017 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.868 2.990 5.511 1.00 0.00 H new ATOM 1629 N GLU A 105 16.160 1.902 1.620 1.00 0.00 N ATOM 1630 CA GLU A 105 16.078 0.761 0.716 1.00 0.00 C ATOM 1631 C GLU A 105 17.060 -0.359 1.127 1.00 0.00 C ATOM 1632 O GLU A 105 17.535 -1.191 0.353 1.00 0.00 O ATOM 1633 CB GLU A 105 16.076 1.287 -0.729 1.00 0.00 C ATOM 1634 CG GLU A 105 17.179 0.922 -1.721 1.00 0.00 C ATOM 1635 CD GLU A 105 16.813 -0.163 -2.739 1.00 0.00 C ATOM 1636 OE1 GLU A 105 15.733 -0.086 -3.360 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.704 -0.991 -3.062 1.00 0.00 O ATOM 0 H GLU A 105 16.742 2.651 1.246 1.00 0.00 H new ATOM 0 HA GLU A 105 15.137 0.216 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.133 0.974 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.054 2.375 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.470 1.822 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.053 0.591 -1.161 1.00 0.00 H new ATOM 1644 N GLY A 106 17.373 -0.371 2.417 1.00 0.00 N ATOM 1645 CA GLY A 106 17.822 -1.569 3.123 1.00 0.00 C ATOM 1646 C GLY A 106 16.696 -2.361 3.783 1.00 0.00 C ATOM 1647 O GLY A 106 16.866 -3.559 4.004 1.00 0.00 O ATOM 0 H GLY A 106 17.322 0.458 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.345 -2.218 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.544 -1.279 3.886 1.00 0.00 H new ATOM 1651 N GLU A 107 15.546 -1.744 4.068 1.00 0.00 N ATOM 1652 CA GLU A 107 14.463 -2.409 4.800 1.00 0.00 C ATOM 1653 C GLU A 107 13.679 -3.398 3.927 1.00 0.00 C ATOM 1654 O GLU A 107 12.838 -4.131 4.444 1.00 0.00 O ATOM 1655 CB GLU A 107 13.516 -1.344 5.371 1.00 0.00 C ATOM 1656 CG GLU A 107 14.106 -0.626 6.594 1.00 0.00 C ATOM 1657 CD GLU A 107 14.028 -1.484 7.853 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.894 -1.760 8.316 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.074 -1.825 8.439 1.00 0.00 O ATOM 0 H GLU A 107 15.340 -0.781 3.802 1.00 0.00 H new ATOM 0 HA GLU A 107 14.913 -2.990 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.291 -0.610 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.573 -1.813 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.146 -0.367 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.571 0.309 6.759 1.00 0.00 H new ATOM 1666 N LEU A 108 13.949 -3.445 2.618 1.00 0.00 N ATOM 1667 CA LEU A 108 13.265 -4.320 1.669 1.00 0.00 C ATOM 1668 C LEU A 108 13.489 -5.794 2.023 1.00 0.00 C ATOM 1669 O LEU A 108 12.712 -6.644 1.596 1.00 0.00 O ATOM 1670 CB LEU A 108 13.755 -4.091 0.228 1.00 0.00 C ATOM 1671 CG LEU A 108 13.538 -2.717 -0.419 1.00 0.00 C ATOM 1672 CD1 LEU A 108 14.351 -1.651 0.165 1.00 0.00 C ATOM 1673 CD2 LEU A 108 13.907 -2.732 -1.910 1.00 0.00 C ATOM 0 H LEU A 108 14.664 -2.862 2.183 1.00 0.00 H new ATOM 0 HA LEU A 108 12.204 -4.076 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.825 -4.300 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.272 -4.834 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 108 12.480 -2.518 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.141 -0.711 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.112 -1.550 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.407 -1.896 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.741 -1.742 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.957 -3.004 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.286 -3.460 -2.431 1.00 0.00 H new ATOM 1685 N GLU A 109 14.550 -6.094 2.770 1.00 0.00 N ATOM 1686 CA GLU A 109 14.888 -7.438 3.221 1.00 0.00 C ATOM 1687 C GLU A 109 13.987 -7.903 4.371 1.00 0.00 C ATOM 1688 O GLU A 109 13.878 -9.107 4.599 1.00 0.00 O ATOM 1689 CB GLU A 109 16.359 -7.482 3.663 1.00 0.00 C ATOM 1690 CG GLU A 109 17.337 -7.129 2.528 1.00 0.00 C ATOM 1691 CD GLU A 109 18.444 -8.174 2.377 1.00 0.00 C ATOM 1692 OE1 GLU A 109 18.140 -9.308 1.926 1.00 0.00 O ATOM 1693 OE2 GLU A 109 19.617 -7.868 2.659 1.00 0.00 O ATOM 0 H GLU A 109 15.215 -5.388 3.086 1.00 0.00 H new ATOM 0 HA GLU A 109 14.730 -8.117 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.505 -6.788 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.591 -8.479 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.788 -7.045 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.783 -6.154 2.725 1.00 0.00 H new ATOM 1700 N ASP A 110 13.331 -6.990 5.098 1.00 0.00 N ATOM 1701 CA ASP A 110 12.323 -7.374 6.092 1.00 0.00 C ATOM 1702 C ASP A 110 10.975 -7.624 5.419 1.00 0.00 C ATOM 1703 O ASP A 110 10.073 -8.209 6.020 1.00 0.00 O ATOM 1704 CB ASP A 110 12.156 -6.286 7.160 1.00 0.00 C ATOM 1705 CG ASP A 110 11.253 -6.764 8.304 1.00 0.00 C ATOM 1706 OD1 ASP A 110 11.750 -7.484 9.206 1.00 0.00 O ATOM 1707 OD2 ASP A 110 10.076 -6.354 8.406 1.00 0.00 O ATOM 0 H ASP A 110 13.480 -5.984 5.017 1.00 0.00 H new ATOM 0 HA ASP A 110 12.668 -8.290 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.133 -6.009 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 110 11.730 -5.391 6.707 1.00 0.00 H new ATOM 1712 N LEU A 111 10.792 -7.172 4.175 1.00 0.00 N ATOM 1713 CA LEU A 111 9.564 -7.375 3.439 1.00 0.00 C ATOM 1714 C LEU A 111 9.593 -8.765 2.836 1.00 0.00 C ATOM 1715 O LEU A 111 10.639 -9.413 2.765 1.00 0.00 O ATOM 1716 CB LEU A 111 9.434 -6.317 2.340 1.00 0.00 C ATOM 1717 CG LEU A 111 9.637 -4.880 2.836 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.402 -3.919 1.675 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.727 -4.510 4.010 1.00 0.00 C ATOM 0 H LEU A 111 11.502 -6.654 3.657 1.00 0.00 H new ATOM 0 HA LEU A 111 8.705 -7.281 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.163 -6.528 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.447 -6.398 1.885 1.00 0.00 H new ATOM 0 HG LEU A 111 10.660 -4.804 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.544 -2.894 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.109 -4.136 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.385 -4.040 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.922 -3.481 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.684 -4.608 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.926 -5.177 4.849 1.00 0.00 H new ATOM 1731 N LEU A 112 8.437 -9.229 2.378 1.00 0.00 N ATOM 1732 CA LEU A 112 8.373 -10.457 1.636 1.00 0.00 C ATOM 1733 C LEU A 112 8.854 -10.151 0.221 1.00 0.00 C ATOM 1734 O LEU A 112 8.277 -9.276 -0.446 1.00 0.00 O ATOM 1735 CB LEU A 112 6.940 -10.987 1.611 1.00 0.00 C ATOM 1736 CG LEU A 112 6.165 -11.063 2.936 1.00 0.00 C ATOM 1737 CD1 LEU A 112 6.934 -11.740 4.074 1.00 0.00 C ATOM 1738 CD2 LEU A 112 5.524 -9.756 3.354 1.00 0.00 C ATOM 0 H LEU A 112 7.538 -8.766 2.513 1.00 0.00 H new ATOM 0 HA LEU A 112 8.997 -11.222 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.367 -10.362 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.964 -11.989 1.183 1.00 0.00 H new ATOM 0 HG LEU A 112 5.335 -11.733 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.317 -11.753 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.181 -12.763 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.852 -11.187 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.997 -9.895 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.295 -8.996 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.818 -9.436 2.588 1.00 0.00 H new ATOM 1750 N ASP A 113 9.859 -10.888 -0.253 1.00 0.00 N ATOM 1751 CA ASP A 113 9.992 -11.101 -1.690 1.00 0.00 C ATOM 1752 C ASP A 113 8.834 -11.993 -2.149 1.00 0.00 C ATOM 1753 O ASP A 113 8.063 -12.509 -1.358 1.00 0.00 O ATOM 1754 CB ASP A 113 11.366 -11.666 -2.097 1.00 0.00 C ATOM 1755 CG ASP A 113 12.409 -10.567 -2.328 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.155 -9.762 -3.255 1.00 0.00 O ATOM 1757 OD2 ASP A 113 13.480 -10.537 -1.670 1.00 0.00 O ATOM 0 H ASP A 113 10.574 -11.336 0.321 1.00 0.00 H new ATOM 0 HA ASP A 113 9.938 -10.137 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.722 -12.342 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.257 -12.256 -3.007 1.00 0.00 H new ATOM 1762 N GLU A 114 8.676 -12.168 -3.450 1.00 0.00 N ATOM 1763 CA GLU A 114 7.417 -12.551 -4.097 1.00 0.00 C ATOM 1764 C GLU A 114 6.949 -13.966 -3.738 1.00 0.00 C ATOM 1765 O GLU A 114 5.766 -14.180 -3.488 1.00 0.00 O ATOM 1766 CB GLU A 114 7.586 -12.369 -5.611 1.00 0.00 C ATOM 1767 CG GLU A 114 6.292 -12.601 -6.410 1.00 0.00 C ATOM 1768 CD GLU A 114 6.299 -11.965 -7.814 1.00 0.00 C ATOM 1769 OE1 GLU A 114 7.378 -11.785 -8.426 1.00 0.00 O ATOM 1770 OE2 GLU A 114 5.190 -11.615 -8.292 1.00 0.00 O ATOM 0 H GLU A 114 9.441 -12.045 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 114 6.624 -11.902 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.949 -11.360 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.351 -13.058 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.126 -13.674 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.451 -12.199 -5.845 1.00 0.00 H new ATOM 1777 N GLN A 115 7.862 -14.935 -3.693 1.00 0.00 N ATOM 1778 CA GLN A 115 7.593 -16.293 -3.260 1.00 0.00 C ATOM 1779 C GLN A 115 7.146 -16.300 -1.794 1.00 0.00 C ATOM 1780 O GLN A 115 6.188 -16.985 -1.436 1.00 0.00 O ATOM 1781 CB GLN A 115 8.891 -17.085 -3.484 1.00 0.00 C ATOM 1782 CG GLN A 115 8.681 -18.544 -3.852 1.00 0.00 C ATOM 1783 CD GLN A 115 9.847 -19.029 -4.721 1.00 0.00 C ATOM 1784 OE1 GLN A 115 10.891 -19.476 -4.254 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.736 -18.879 -6.030 1.00 0.00 N ATOM 0 H GLN A 115 8.834 -14.787 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 115 6.780 -16.751 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.465 -16.602 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.494 -17.035 -2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.611 -19.151 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.740 -18.662 -4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.874 -18.509 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.513 -19.134 -6.640 1.00 0.00 H new ATOM 1794 N ALA A 116 7.809 -15.487 -0.966 1.00 0.00 N ATOM 1795 CA ALA A 116 7.501 -15.355 0.450 1.00 0.00 C ATOM 1796 C ALA A 116 6.193 -14.583 0.659 1.00 0.00 C ATOM 1797 O ALA A 116 5.452 -14.858 1.600 1.00 0.00 O ATOM 1798 CB ALA A 116 8.662 -14.657 1.162 1.00 0.00 C ATOM 0 H ALA A 116 8.584 -14.897 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 116 7.367 -16.350 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.432 -14.558 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.570 -15.247 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.812 -13.668 0.729 1.00 0.00 H new ATOM 1804 N TYR A 117 5.873 -13.618 -0.209 1.00 0.00 N ATOM 1805 CA TYR A 117 4.574 -12.972 -0.206 1.00 0.00 C ATOM 1806 C TYR A 117 3.501 -14.017 -0.459 1.00 0.00 C ATOM 1807 O TYR A 117 2.523 -14.067 0.280 1.00 0.00 O ATOM 1808 CB TYR A 117 4.519 -11.873 -1.266 1.00 0.00 C ATOM 1809 CG TYR A 117 3.103 -11.449 -1.589 1.00 0.00 C ATOM 1810 CD1 TYR A 117 2.325 -10.784 -0.623 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.537 -11.811 -2.825 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.986 -10.461 -0.892 1.00 0.00 C ATOM 1813 CE2 TYR A 117 1.191 -11.524 -3.094 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.407 -10.861 -2.125 1.00 0.00 C ATOM 1815 OH TYR A 117 -0.919 -10.650 -2.358 1.00 0.00 O ATOM 0 H TYR A 117 6.509 -13.270 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 117 4.402 -12.506 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 117 5.083 -11.008 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 117 5.006 -12.225 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.760 -10.521 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 117 3.140 -12.311 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.401 -9.913 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.755 -11.809 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.151 -10.982 -3.250 1.00 0.00 H new ATOM 1825 N GLN A 118 3.693 -14.846 -1.484 1.00 0.00 N ATOM 1826 CA GLN A 118 2.799 -15.937 -1.815 1.00 0.00 C ATOM 1827 C GLN A 118 2.593 -16.842 -0.597 1.00 0.00 C ATOM 1828 O GLN A 118 1.447 -17.133 -0.268 1.00 0.00 O ATOM 1829 CB GLN A 118 3.311 -16.631 -3.090 1.00 0.00 C ATOM 1830 CG GLN A 118 3.236 -18.164 -3.096 1.00 0.00 C ATOM 1831 CD GLN A 118 3.273 -18.755 -4.506 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.946 -18.095 -5.495 1.00 0.00 O ATOM 1833 NE2 GLN A 118 3.668 -20.009 -4.626 1.00 0.00 N ATOM 0 H GLN A 118 4.491 -14.771 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 118 1.797 -15.582 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.740 -16.255 -3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.348 -16.337 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.067 -18.566 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.319 -18.480 -2.599 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.935 -20.541 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.706 -20.446 -5.547 1.00 0.00 H new ATOM 1842 N GLU A 119 3.668 -17.241 0.085 1.00 0.00 N ATOM 1843 CA GLU A 119 3.650 -17.990 1.328 1.00 0.00 C ATOM 1844 C GLU A 119 2.748 -17.327 2.381 1.00 0.00 C ATOM 1845 O GLU A 119 1.825 -17.970 2.883 1.00 0.00 O ATOM 1846 CB GLU A 119 5.102 -18.134 1.809 1.00 0.00 C ATOM 1847 CG GLU A 119 5.277 -19.254 2.824 1.00 0.00 C ATOM 1848 CD GLU A 119 6.673 -19.197 3.456 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.681 -19.354 2.715 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.783 -18.920 4.671 1.00 0.00 O ATOM 0 H GLU A 119 4.615 -17.038 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 119 3.221 -18.978 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.747 -18.323 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.428 -17.193 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.517 -19.170 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.131 -20.219 2.338 1.00 0.00 H new