USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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 33 SER OG : rot 180:sc=0.000739 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.0745 K(o=-0.074,f=-0.61) USER MOD Single : A 1 TRP N :NH3+ 160:sc= 0.0275 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 143:sc= -0.0327 (180deg=-0.511) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -0.431 (180deg=-2.45!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.12) USER MOD Single : A 19 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.41) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -39:sc= 0.47 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0156 (180deg=-0.185) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 34 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.25) USER MOD Single : A 35 CYS SG : rot -68:sc= -0.147 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 30:sc= 0.34 USER MOD Single : A 53 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.074) USER MOD Single : A 54 GLN : amide:sc= -0.803 K(o=-0.8,f=-4.9!) USER MOD Single : A 55 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0292 (180deg=-0.214) USER MOD Single : A 59 MET CE :methyl 173:sc= 0 (180deg=-0.0597) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc=-0.00558 (180deg=-0.12) USER MOD Single : A 64 ASN : amide:sc= -0.0362 K(o=-0.036,f=-0.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.190 0.634 -1.386 1.00 0.00 N ATOM 2 CA TRP A 1 2.363 0.350 -2.242 1.00 0.00 C ATOM 3 C TRP A 1 2.335 -1.110 -2.723 1.00 0.00 C ATOM 4 O TRP A 1 2.651 -2.032 -1.958 1.00 0.00 O ATOM 5 CB TRP A 1 3.686 0.663 -1.491 1.00 0.00 C ATOM 6 CG TRP A 1 4.027 2.134 -1.410 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.505 3.065 -0.559 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.988 2.828 -2.218 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.072 4.289 -0.795 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.985 4.169 -1.811 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.846 2.437 -3.252 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.812 5.126 -2.393 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.665 3.385 -3.830 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.639 4.717 -3.397 1.00 0.00 C ATOM 0 H1 TRP A 1 1.380 1.476 -0.805 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.357 0.807 -1.984 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.008 -0.181 -0.766 1.00 0.00 H new ATOM 0 HA TRP A 1 2.315 0.999 -3.116 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.619 0.262 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.503 0.140 -1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.754 2.865 0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.851 5.151 -0.296 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.867 1.412 -3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.799 6.154 -2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 7.335 3.096 -4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 1 7.290 5.438 -3.870 1.00 0.00 H new ATOM 25 N THR A 2 1.941 -1.302 -3.992 1.00 0.00 N ATOM 26 CA THR A 2 1.954 -2.613 -4.663 1.00 0.00 C ATOM 27 C THR A 2 3.409 -3.020 -4.995 1.00 0.00 C ATOM 28 O THR A 2 4.256 -2.155 -5.226 1.00 0.00 O ATOM 29 CB THR A 2 1.088 -2.548 -5.970 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.224 -2.043 -5.659 1.00 0.00 O ATOM 31 CG2 THR A 2 0.942 -3.918 -6.662 1.00 0.00 C ATOM 0 H THR A 2 1.602 -0.546 -4.587 1.00 0.00 H new ATOM 0 HA THR A 2 1.527 -3.364 -3.998 1.00 0.00 H new ATOM 0 HB THR A 2 1.609 -1.883 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.761 -2.002 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.333 -3.809 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.928 -4.294 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.462 -4.620 -5.981 1.00 0.00 H new ATOM 39 N GLU A 3 3.692 -4.336 -5.021 1.00 0.00 N ATOM 40 CA GLU A 3 5.041 -4.879 -5.313 1.00 0.00 C ATOM 41 C GLU A 3 5.585 -4.412 -6.692 1.00 0.00 C ATOM 42 O GLU A 3 6.802 -4.422 -6.923 1.00 0.00 O ATOM 43 CB GLU A 3 5.011 -6.424 -5.243 1.00 0.00 C ATOM 44 CG GLU A 3 4.626 -6.989 -3.858 1.00 0.00 C ATOM 45 CD GLU A 3 4.549 -8.528 -3.825 1.00 0.00 C ATOM 46 OE1 GLU A 3 3.464 -9.091 -4.115 1.00 0.00 O ATOM 47 OE2 GLU A 3 5.570 -9.178 -3.522 1.00 0.00 O ATOM 0 H GLU A 3 2.994 -5.057 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 3 5.721 -4.489 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.303 -6.796 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.993 -6.808 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.356 -6.653 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.661 -6.578 -3.561 1.00 0.00 H new ATOM 54 N GLU A 4 4.667 -4.010 -7.586 1.00 0.00 N ATOM 55 CA GLU A 4 4.999 -3.505 -8.925 1.00 0.00 C ATOM 56 C GLU A 4 5.677 -2.112 -8.843 1.00 0.00 C ATOM 57 O GLU A 4 6.779 -1.913 -9.382 1.00 0.00 O ATOM 58 CB GLU A 4 3.712 -3.457 -9.793 1.00 0.00 C ATOM 59 CG GLU A 4 2.919 -4.785 -9.862 1.00 0.00 C ATOM 60 CD GLU A 4 3.744 -5.972 -10.394 1.00 0.00 C ATOM 61 OE1 GLU A 4 3.896 -6.097 -11.629 1.00 0.00 O ATOM 62 OE2 GLU A 4 4.248 -6.787 -9.579 1.00 0.00 O ATOM 0 H GLU A 4 3.665 -4.027 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 4 5.713 -4.182 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.056 -2.680 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.986 -3.162 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.548 -5.029 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.047 -4.645 -10.501 1.00 0.00 H new ATOM 69 N GLU A 5 5.021 -1.158 -8.146 1.00 0.00 N ATOM 70 CA GLU A 5 5.561 0.211 -7.940 1.00 0.00 C ATOM 71 C GLU A 5 6.775 0.184 -6.990 1.00 0.00 C ATOM 72 O GLU A 5 7.645 1.054 -7.064 1.00 0.00 O ATOM 73 CB GLU A 5 4.468 1.183 -7.418 1.00 0.00 C ATOM 74 CG GLU A 5 3.921 0.848 -6.020 1.00 0.00 C ATOM 75 CD GLU A 5 2.736 1.726 -5.591 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.956 2.859 -5.117 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.577 1.279 -5.721 1.00 0.00 O ATOM 0 H GLU A 5 4.110 -1.310 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 5 5.894 0.584 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.878 2.193 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.639 1.189 -8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.612 -0.197 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.724 0.956 -5.291 1.00 0.00 H new ATOM 84 N MET A 6 6.801 -0.804 -6.071 1.00 0.00 N ATOM 85 CA MET A 6 7.945 -1.035 -5.161 1.00 0.00 C ATOM 86 C MET A 6 9.136 -1.653 -5.913 1.00 0.00 C ATOM 87 O MET A 6 10.273 -1.561 -5.452 1.00 0.00 O ATOM 88 CB MET A 6 7.533 -1.924 -3.963 1.00 0.00 C ATOM 89 CG MET A 6 6.480 -1.295 -3.042 1.00 0.00 C ATOM 90 SD MET A 6 6.137 -2.290 -1.571 1.00 0.00 S ATOM 91 CE MET A 6 7.684 -2.154 -0.671 1.00 0.00 C ATOM 0 H MET A 6 6.033 -1.462 -5.938 1.00 0.00 H new ATOM 0 HA MET A 6 8.258 -0.066 -4.772 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.147 -2.870 -4.343 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.421 -2.155 -3.375 1.00 0.00 H new ATOM 0 HG2 MET A 6 6.820 -0.307 -2.733 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.555 -1.154 -3.601 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.479 -2.098 0.398 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.302 -3.028 -0.876 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.211 -1.254 -0.987 1.00 0.00 H new ATOM 101 N GLY A 7 8.852 -2.310 -7.052 1.00 0.00 N ATOM 102 CA GLY A 7 9.887 -2.742 -7.995 1.00 0.00 C ATOM 103 C GLY A 7 10.493 -1.557 -8.740 1.00 0.00 C ATOM 104 O GLY A 7 11.697 -1.529 -9.007 1.00 0.00 O ATOM 0 H GLY A 7 7.904 -2.553 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.671 -3.275 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.459 -3.443 -8.711 1.00 0.00 H new ATOM 108 N THR A 8 9.636 -0.566 -9.069 1.00 0.00 N ATOM 109 CA THR A 8 10.060 0.717 -9.670 1.00 0.00 C ATOM 110 C THR A 8 10.828 1.577 -8.635 1.00 0.00 C ATOM 111 O THR A 8 11.741 2.331 -8.993 1.00 0.00 O ATOM 112 CB THR A 8 8.822 1.515 -10.205 1.00 0.00 C ATOM 113 OG1 THR A 8 8.052 0.685 -11.087 1.00 0.00 O ATOM 114 CG2 THR A 8 9.227 2.811 -10.943 1.00 0.00 C ATOM 0 H THR A 8 8.629 -0.634 -8.925 1.00 0.00 H new ATOM 0 HA THR A 8 10.723 0.493 -10.506 1.00 0.00 H new ATOM 0 HB THR A 8 8.227 1.802 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.278 1.188 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.332 3.325 -11.293 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.776 3.461 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.859 2.562 -11.795 1.00 0.00 H new ATOM 122 N ALA A 9 10.440 1.449 -7.347 1.00 0.00 N ATOM 123 CA ALA A 9 11.093 2.159 -6.225 1.00 0.00 C ATOM 124 C ALA A 9 12.475 1.566 -5.975 1.00 0.00 C ATOM 125 O ALA A 9 13.452 2.287 -5.848 1.00 0.00 O ATOM 126 CB ALA A 9 10.227 2.100 -4.950 1.00 0.00 C ATOM 0 H ALA A 9 9.666 0.851 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 9 11.204 3.209 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.732 2.630 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.262 2.568 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.074 1.060 -4.662 1.00 0.00 H new ATOM 132 N LYS A 10 12.521 0.230 -5.959 1.00 0.00 N ATOM 133 CA LYS A 10 13.764 -0.556 -5.854 1.00 0.00 C ATOM 134 C LYS A 10 14.736 -0.162 -6.985 1.00 0.00 C ATOM 135 O LYS A 10 15.925 0.036 -6.743 1.00 0.00 O ATOM 136 CB LYS A 10 13.394 -2.074 -5.886 1.00 0.00 C ATOM 137 CG LYS A 10 14.564 -3.098 -5.864 1.00 0.00 C ATOM 138 CD LYS A 10 15.085 -3.475 -7.277 1.00 0.00 C ATOM 139 CE LYS A 10 16.133 -4.606 -7.246 1.00 0.00 C ATOM 140 NZ LYS A 10 17.220 -4.348 -6.254 1.00 0.00 N ATOM 0 H LYS A 10 11.684 -0.349 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 10 14.276 -0.348 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.749 -2.281 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.803 -2.257 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.387 -2.685 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.234 -4.003 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.244 -3.782 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.523 -2.593 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.640 -5.548 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.570 -4.720 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.129 -4.671 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.272 -3.329 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.017 -4.865 -5.374 1.00 0.00 H new ATOM 154 N LYS A 11 14.180 -0.008 -8.200 1.00 0.00 N ATOM 155 CA LYS A 11 14.928 0.388 -9.411 1.00 0.00 C ATOM 156 C LYS A 11 15.451 1.836 -9.296 1.00 0.00 C ATOM 157 O LYS A 11 16.612 2.110 -9.610 1.00 0.00 O ATOM 158 CB LYS A 11 14.013 0.251 -10.660 1.00 0.00 C ATOM 159 CG LYS A 11 14.636 0.671 -12.022 1.00 0.00 C ATOM 160 CD LYS A 11 15.714 -0.306 -12.582 1.00 0.00 C ATOM 161 CE LYS A 11 17.149 -0.031 -12.079 1.00 0.00 C ATOM 162 NZ LYS A 11 18.122 -0.974 -12.672 1.00 0.00 N ATOM 0 H LYS A 11 13.186 -0.157 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 11 15.788 -0.274 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.693 -0.788 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.117 0.850 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.836 0.766 -12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.085 1.658 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.437 -1.325 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.707 -0.250 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.433 0.991 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.177 -0.113 -10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.075 -0.761 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.864 -1.948 -12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.113 -0.877 -13.707 1.00 0.00 H new ATOM 176 N GLY A 12 14.585 2.745 -8.822 1.00 0.00 N ATOM 177 CA GLY A 12 14.923 4.167 -8.697 1.00 0.00 C ATOM 178 C GLY A 12 16.014 4.417 -7.669 1.00 0.00 C ATOM 179 O GLY A 12 16.943 5.180 -7.902 1.00 0.00 O ATOM 0 H GLY A 12 13.639 2.516 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.247 4.547 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.030 4.726 -8.418 1.00 0.00 H new ATOM 183 N LEU A 13 15.880 3.760 -6.532 1.00 0.00 N ATOM 184 CA LEU A 13 16.836 3.824 -5.421 1.00 0.00 C ATOM 185 C LEU A 13 18.143 3.069 -5.783 1.00 0.00 C ATOM 186 O LEU A 13 19.199 3.321 -5.198 1.00 0.00 O ATOM 187 CB LEU A 13 16.134 3.288 -4.145 1.00 0.00 C ATOM 188 CG LEU A 13 14.891 4.145 -3.674 1.00 0.00 C ATOM 189 CD1 LEU A 13 13.918 3.352 -2.775 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.344 5.434 -2.969 1.00 0.00 C ATOM 0 H LEU A 13 15.086 3.149 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 13 17.143 4.851 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.806 2.265 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.861 3.249 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 13 14.343 4.409 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.086 3.994 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.537 2.490 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.443 3.012 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.469 6.004 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.943 5.179 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.941 6.034 -3.656 1.00 0.00 H new ATOM 202 N LEU A 14 18.045 2.126 -6.744 1.00 0.00 N ATOM 203 CA LEU A 14 19.211 1.429 -7.343 1.00 0.00 C ATOM 204 C LEU A 14 19.951 2.352 -8.339 1.00 0.00 C ATOM 205 O LEU A 14 21.159 2.244 -8.505 1.00 0.00 O ATOM 206 CB LEU A 14 18.729 0.113 -8.046 1.00 0.00 C ATOM 207 CG LEU A 14 19.761 -1.053 -8.228 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.036 -2.387 -8.518 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.800 -0.774 -9.333 1.00 0.00 C ATOM 0 H LEU A 14 17.151 1.823 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 14 19.915 1.169 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.884 -0.277 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.353 0.382 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 14 20.304 -1.127 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.772 -3.182 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.375 -2.630 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.450 -2.291 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.485 -1.618 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.289 -0.634 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.361 0.127 -9.086 1.00 0.00 H new ATOM 221 N GLU A 15 19.217 3.243 -9.015 1.00 0.00 N ATOM 222 CA GLU A 15 19.794 4.098 -10.082 1.00 0.00 C ATOM 223 C GLU A 15 20.175 5.499 -9.557 1.00 0.00 C ATOM 224 O GLU A 15 21.349 5.878 -9.559 1.00 0.00 O ATOM 225 CB GLU A 15 18.794 4.208 -11.264 1.00 0.00 C ATOM 226 CG GLU A 15 19.327 5.010 -12.466 1.00 0.00 C ATOM 227 CD GLU A 15 18.328 5.108 -13.626 1.00 0.00 C ATOM 228 OE1 GLU A 15 17.336 5.855 -13.493 1.00 0.00 O ATOM 229 OE2 GLU A 15 18.528 4.441 -14.670 1.00 0.00 O ATOM 0 H GLU A 15 18.223 3.398 -8.849 1.00 0.00 H new ATOM 0 HA GLU A 15 20.714 3.628 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.531 3.204 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.876 4.675 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.588 6.015 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.245 4.545 -12.825 1.00 0.00 H new ATOM 236 N HIS A 16 19.164 6.251 -9.109 1.00 0.00 N ATOM 237 CA HIS A 16 19.328 7.633 -8.604 1.00 0.00 C ATOM 238 C HIS A 16 19.880 7.635 -7.164 1.00 0.00 C ATOM 239 O HIS A 16 20.491 8.620 -6.723 1.00 0.00 O ATOM 240 CB HIS A 16 17.967 8.383 -8.616 1.00 0.00 C ATOM 241 CG HIS A 16 17.183 8.293 -9.905 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.225 9.260 -10.887 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.292 7.365 -10.337 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.394 8.930 -11.858 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.817 7.787 -11.547 1.00 0.00 N ATOM 0 H HIS A 16 18.199 5.922 -9.083 1.00 0.00 H new ATOM 0 HA HIS A 16 20.035 8.139 -9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.349 7.991 -7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.150 9.435 -8.396 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.010 6.460 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.217 9.501 -12.757 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.128 7.297 -12.117 1.00 0.00 H new ATOM 254 N GLY A 17 19.643 6.526 -6.443 1.00 0.00 N ATOM 255 CA GLY A 17 19.974 6.433 -5.020 1.00 0.00 C ATOM 256 C GLY A 17 18.828 6.925 -4.135 1.00 0.00 C ATOM 257 O GLY A 17 17.699 7.053 -4.613 1.00 0.00 O ATOM 0 H GLY A 17 19.222 5.681 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.209 5.399 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.869 7.021 -4.816 1.00 0.00 H new ATOM 261 N ARG A 18 19.111 7.240 -2.850 1.00 0.00 N ATOM 262 CA ARG A 18 18.079 7.718 -1.895 1.00 0.00 C ATOM 263 C ARG A 18 17.772 9.230 -2.075 1.00 0.00 C ATOM 264 O ARG A 18 17.275 9.871 -1.143 1.00 0.00 O ATOM 265 CB ARG A 18 18.498 7.436 -0.421 1.00 0.00 C ATOM 266 CG ARG A 18 18.851 5.973 -0.085 1.00 0.00 C ATOM 267 CD ARG A 18 18.852 5.686 1.437 1.00 0.00 C ATOM 268 NE ARG A 18 19.589 6.702 2.234 1.00 0.00 N ATOM 269 CZ ARG A 18 19.747 6.666 3.573 1.00 0.00 C ATOM 270 NH1 ARG A 18 19.400 5.595 4.278 1.00 0.00 N ATOM 271 NH2 ARG A 18 20.285 7.700 4.198 1.00 0.00 N ATOM 0 H ARG A 18 20.046 7.172 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 18 17.170 7.160 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.360 8.060 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 18 17.685 7.752 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.136 5.311 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.834 5.739 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.822 5.637 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.296 4.706 1.613 1.00 0.00 H new ATOM 0 HE ARG A 18 20.006 7.485 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.006 4.780 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.527 5.587 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.578 8.520 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.406 7.677 5.210 1.00 0.00 H new ATOM 285 N ASN A 19 18.055 9.790 -3.264 1.00 0.00 N ATOM 286 CA ASN A 19 17.722 11.185 -3.592 1.00 0.00 C ATOM 287 C ASN A 19 16.190 11.322 -3.722 1.00 0.00 C ATOM 288 O ASN A 19 15.629 11.082 -4.796 1.00 0.00 O ATOM 289 CB ASN A 19 18.446 11.621 -4.898 1.00 0.00 C ATOM 290 CG ASN A 19 18.153 13.066 -5.321 1.00 0.00 C ATOM 291 OD1 ASN A 19 17.859 13.929 -4.492 1.00 0.00 O ATOM 292 ND2 ASN A 19 18.241 13.339 -6.614 1.00 0.00 N ATOM 0 H ASN A 19 18.519 9.289 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 19 18.064 11.844 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.521 11.504 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.152 10.950 -5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.063 14.286 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.487 12.602 -7.275 1.00 0.00 H new ATOM 299 N TRP A 20 15.533 11.683 -2.600 1.00 0.00 N ATOM 300 CA TRP A 20 14.058 11.694 -2.478 1.00 0.00 C ATOM 301 C TRP A 20 13.398 12.650 -3.479 1.00 0.00 C ATOM 302 O TRP A 20 12.233 12.472 -3.815 1.00 0.00 O ATOM 303 CB TRP A 20 13.621 12.049 -1.028 1.00 0.00 C ATOM 304 CG TRP A 20 14.296 11.206 0.036 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.042 11.651 1.097 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.316 9.767 0.117 1.00 0.00 C ATOM 307 NE1 TRP A 20 15.515 10.589 1.821 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.091 9.426 1.238 1.00 0.00 C ATOM 309 CE3 TRP A 20 13.765 8.736 -0.654 1.00 0.00 C ATOM 310 CZ2 TRP A 20 15.318 8.107 1.611 1.00 0.00 C ATOM 311 CZ3 TRP A 20 13.991 7.429 -0.281 1.00 0.00 C ATOM 312 CH2 TRP A 20 14.770 7.124 0.834 1.00 0.00 C ATOM 0 H TRP A 20 16.012 11.977 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 20 13.717 10.686 -2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.840 13.100 -0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.541 11.928 -0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.230 12.689 1.328 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.091 10.655 2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.172 8.962 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 15.907 7.866 2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.558 6.628 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.945 6.089 1.090 1.00 0.00 H new ATOM 323 N SER A 21 14.158 13.666 -3.935 1.00 0.00 N ATOM 324 CA SER A 21 13.715 14.581 -4.997 1.00 0.00 C ATOM 325 C SER A 21 13.459 13.790 -6.295 1.00 0.00 C ATOM 326 O SER A 21 12.356 13.821 -6.842 1.00 0.00 O ATOM 327 CB SER A 21 14.765 15.695 -5.217 1.00 0.00 C ATOM 328 OG SER A 21 14.307 16.676 -6.133 1.00 0.00 O ATOM 0 H SER A 21 15.091 13.872 -3.577 1.00 0.00 H new ATOM 0 HA SER A 21 12.782 15.057 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.998 16.169 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.690 15.254 -5.588 1.00 0.00 H new ATOM 0 HG SER A 21 14.995 17.365 -6.246 1.00 0.00 H new ATOM 334 N ALA A 22 14.477 13.026 -6.727 1.00 0.00 N ATOM 335 CA ALA A 22 14.433 12.252 -7.988 1.00 0.00 C ATOM 336 C ALA A 22 13.390 11.113 -7.933 1.00 0.00 C ATOM 337 O ALA A 22 12.654 10.881 -8.901 1.00 0.00 O ATOM 338 CB ALA A 22 15.826 11.680 -8.298 1.00 0.00 C ATOM 0 H ALA A 22 15.354 12.925 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 22 14.130 12.932 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.787 11.111 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.540 12.497 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.140 11.025 -7.485 1.00 0.00 H new ATOM 344 N ILE A 23 13.330 10.423 -6.779 1.00 0.00 N ATOM 345 CA ILE A 23 12.490 9.221 -6.604 1.00 0.00 C ATOM 346 C ILE A 23 11.009 9.610 -6.477 1.00 0.00 C ATOM 347 O ILE A 23 10.144 8.931 -6.995 1.00 0.00 O ATOM 348 CB ILE A 23 12.928 8.366 -5.354 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.472 8.170 -5.329 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.211 6.987 -5.345 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.034 7.499 -6.561 1.00 0.00 C ATOM 0 H ILE A 23 13.859 10.680 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 23 12.628 8.605 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 23 12.634 8.913 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.948 9.143 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.737 7.577 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.530 6.417 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.132 7.138 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.467 6.438 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.115 7.402 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.589 6.510 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.804 8.101 -7.440 1.00 0.00 H new ATOM 363 N ALA A 24 10.733 10.728 -5.805 1.00 0.00 N ATOM 364 CA ALA A 24 9.354 11.225 -5.621 1.00 0.00 C ATOM 365 C ALA A 24 8.762 11.778 -6.928 1.00 0.00 C ATOM 366 O ALA A 24 7.548 11.944 -7.042 1.00 0.00 O ATOM 367 CB ALA A 24 9.302 12.263 -4.520 1.00 0.00 C ATOM 0 H ALA A 24 11.446 11.316 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 24 8.738 10.376 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.278 12.616 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.644 11.819 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.947 13.102 -4.780 1.00 0.00 H new ATOM 373 N ARG A 25 9.635 12.134 -7.883 1.00 0.00 N ATOM 374 CA ARG A 25 9.219 12.461 -9.258 1.00 0.00 C ATOM 375 C ARG A 25 8.946 11.165 -10.046 1.00 0.00 C ATOM 376 O ARG A 25 8.009 11.099 -10.849 1.00 0.00 O ATOM 377 CB ARG A 25 10.310 13.303 -9.982 1.00 0.00 C ATOM 378 CG ARG A 25 10.617 14.654 -9.311 1.00 0.00 C ATOM 379 CD ARG A 25 11.688 15.472 -10.061 1.00 0.00 C ATOM 380 NE ARG A 25 11.201 15.983 -11.361 1.00 0.00 N ATOM 381 CZ ARG A 25 11.967 16.279 -12.423 1.00 0.00 C ATOM 382 NH1 ARG A 25 13.264 16.010 -12.427 1.00 0.00 N ATOM 383 NH2 ARG A 25 11.415 16.837 -13.488 1.00 0.00 N ATOM 0 H ARG A 25 10.641 12.203 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 25 8.305 13.053 -9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.229 12.719 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.991 13.485 -11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.699 15.239 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.953 14.478 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.002 16.310 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.568 14.849 -10.225 1.00 0.00 H new ATOM 0 HE ARG A 25 10.195 16.123 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.696 15.571 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.830 16.242 -13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.415 17.039 -13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.989 17.065 -14.299 1.00 0.00 H new ATOM 397 N MET A 26 9.774 10.138 -9.786 1.00 0.00 N ATOM 398 CA MET A 26 9.755 8.870 -10.536 1.00 0.00 C ATOM 399 C MET A 26 8.574 7.965 -10.112 1.00 0.00 C ATOM 400 O MET A 26 7.678 7.694 -10.913 1.00 0.00 O ATOM 401 CB MET A 26 11.118 8.153 -10.317 1.00 0.00 C ATOM 402 CG MET A 26 11.279 6.799 -11.011 1.00 0.00 C ATOM 403 SD MET A 26 12.941 6.125 -10.788 1.00 0.00 S ATOM 404 CE MET A 26 12.782 4.527 -11.578 1.00 0.00 C ATOM 0 H MET A 26 10.477 10.164 -9.048 1.00 0.00 H new ATOM 0 HA MET A 26 9.611 9.082 -11.595 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.914 8.813 -10.662 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.264 8.010 -9.246 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.546 6.097 -10.614 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.071 6.909 -12.075 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.732 3.995 -11.518 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.009 3.947 -11.074 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.508 4.664 -12.624 1.00 0.00 H new ATOM 414 N VAL A 27 8.573 7.521 -8.848 1.00 0.00 N ATOM 415 CA VAL A 27 7.528 6.630 -8.303 1.00 0.00 C ATOM 416 C VAL A 27 6.334 7.432 -7.756 1.00 0.00 C ATOM 417 O VAL A 27 5.174 7.040 -7.943 1.00 0.00 O ATOM 418 CB VAL A 27 8.109 5.654 -7.208 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.289 4.845 -7.786 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.541 6.383 -5.909 1.00 0.00 C ATOM 0 H VAL A 27 9.295 7.767 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 27 7.165 6.017 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 27 7.300 4.978 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.681 4.175 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.946 4.259 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.075 5.528 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.931 5.656 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.315 7.114 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.681 6.891 -5.474 1.00 0.00 H new ATOM 430 N GLY A 28 6.643 8.566 -7.095 1.00 0.00 N ATOM 431 CA GLY A 28 5.635 9.384 -6.423 1.00 0.00 C ATOM 432 C GLY A 28 4.789 10.193 -7.399 1.00 0.00 C ATOM 433 O GLY A 28 3.571 10.311 -7.216 1.00 0.00 O ATOM 0 H GLY A 28 7.592 8.931 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.984 8.739 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.128 10.062 -5.727 1.00 0.00 H new ATOM 437 N SER A 29 5.462 10.764 -8.434 1.00 0.00 N ATOM 438 CA SER A 29 4.834 11.611 -9.477 1.00 0.00 C ATOM 439 C SER A 29 4.163 12.870 -8.858 1.00 0.00 C ATOM 440 O SER A 29 3.239 13.454 -9.444 1.00 0.00 O ATOM 441 CB SER A 29 3.836 10.757 -10.315 1.00 0.00 C ATOM 442 OG SER A 29 3.288 11.473 -11.416 1.00 0.00 O ATOM 0 H SER A 29 6.466 10.646 -8.566 1.00 0.00 H new ATOM 0 HA SER A 29 5.608 11.981 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.347 9.867 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.026 10.416 -9.670 1.00 0.00 H new ATOM 0 HG SER A 29 3.108 12.398 -11.148 1.00 0.00 H new ATOM 448 N LYS A 30 4.672 13.319 -7.685 1.00 0.00 N ATOM 449 CA LYS A 30 4.022 14.383 -6.897 1.00 0.00 C ATOM 450 C LYS A 30 5.070 15.313 -6.222 1.00 0.00 C ATOM 451 O LYS A 30 5.523 16.284 -6.842 1.00 0.00 O ATOM 452 CB LYS A 30 3.032 13.745 -5.866 1.00 0.00 C ATOM 453 CG LYS A 30 2.263 14.755 -4.977 1.00 0.00 C ATOM 454 CD LYS A 30 1.205 14.085 -4.063 1.00 0.00 C ATOM 455 CE LYS A 30 0.002 13.534 -4.850 1.00 0.00 C ATOM 456 NZ LYS A 30 -0.749 14.616 -5.546 1.00 0.00 N ATOM 0 H LYS A 30 5.530 12.958 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 30 3.444 15.020 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.307 13.139 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.592 13.069 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.976 15.300 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.770 15.488 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.673 13.272 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.853 14.811 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.350 12.805 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.667 13.008 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.663 14.246 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.912 15.404 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.197 14.954 -6.360 1.00 0.00 H new ATOM 470 N THR A 31 5.480 14.991 -4.974 1.00 0.00 N ATOM 471 CA THR A 31 6.280 15.898 -4.115 1.00 0.00 C ATOM 472 C THR A 31 7.380 15.107 -3.378 1.00 0.00 C ATOM 473 O THR A 31 7.172 13.935 -3.070 1.00 0.00 O ATOM 474 CB THR A 31 5.329 16.630 -3.096 1.00 0.00 C ATOM 475 OG1 THR A 31 4.323 17.370 -3.815 1.00 0.00 O ATOM 476 CG2 THR A 31 6.068 17.586 -2.137 1.00 0.00 C ATOM 0 H THR A 31 5.267 14.096 -4.533 1.00 0.00 H new ATOM 0 HA THR A 31 6.769 16.648 -4.736 1.00 0.00 H new ATOM 0 HB THR A 31 4.879 15.849 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.732 17.823 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.349 18.054 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.798 17.024 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.580 18.356 -2.714 1.00 0.00 H new ATOM 484 N VAL A 32 8.528 15.768 -3.087 1.00 0.00 N ATOM 485 CA VAL A 32 9.723 15.149 -2.433 1.00 0.00 C ATOM 486 C VAL A 32 9.346 14.408 -1.125 1.00 0.00 C ATOM 487 O VAL A 32 9.884 13.330 -0.824 1.00 0.00 O ATOM 488 CB VAL A 32 10.839 16.229 -2.138 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.116 15.603 -1.506 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.195 17.029 -3.416 1.00 0.00 C ATOM 0 H VAL A 32 8.658 16.757 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 32 10.121 14.417 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 32 10.422 16.919 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.852 16.386 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.857 15.121 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.535 14.864 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.965 17.764 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.565 16.347 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.306 17.540 -3.785 1.00 0.00 H new ATOM 500 N SER A 33 8.377 14.990 -0.395 1.00 0.00 N ATOM 501 CA SER A 33 7.873 14.464 0.894 1.00 0.00 C ATOM 502 C SER A 33 7.242 13.058 0.758 1.00 0.00 C ATOM 503 O SER A 33 7.257 12.280 1.704 1.00 0.00 O ATOM 504 CB SER A 33 6.841 15.457 1.482 1.00 0.00 C ATOM 505 OG SER A 33 6.421 15.087 2.786 1.00 0.00 O ATOM 0 H SER A 33 7.913 15.851 -0.685 1.00 0.00 H new ATOM 0 HA SER A 33 8.725 14.362 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.277 16.455 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.974 15.508 0.824 1.00 0.00 H new ATOM 0 HG SER A 33 5.772 15.741 3.119 1.00 0.00 H new ATOM 511 N GLN A 34 6.712 12.744 -0.435 1.00 0.00 N ATOM 512 CA GLN A 34 5.992 11.480 -0.702 1.00 0.00 C ATOM 513 C GLN A 34 6.916 10.252 -0.508 1.00 0.00 C ATOM 514 O GLN A 34 6.570 9.306 0.217 1.00 0.00 O ATOM 515 CB GLN A 34 5.400 11.501 -2.142 1.00 0.00 C ATOM 516 CG GLN A 34 4.326 10.442 -2.427 1.00 0.00 C ATOM 517 CD GLN A 34 3.079 10.590 -1.544 1.00 0.00 C ATOM 518 OE1 GLN A 34 2.989 9.996 -0.472 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.113 11.389 -1.984 1.00 0.00 N ATOM 0 H GLN A 34 6.769 13.359 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 34 5.177 11.393 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.973 12.487 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.215 11.369 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.031 10.506 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.754 9.451 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.216 11.869 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.269 11.522 -1.428 1.00 0.00 H new ATOM 528 N CYS A 35 8.103 10.300 -1.142 1.00 0.00 N ATOM 529 CA CYS A 35 9.097 9.202 -1.077 1.00 0.00 C ATOM 530 C CYS A 35 9.942 9.284 0.212 1.00 0.00 C ATOM 531 O CYS A 35 10.470 8.264 0.682 1.00 0.00 O ATOM 532 CB CYS A 35 10.013 9.207 -2.314 1.00 0.00 C ATOM 533 SG CYS A 35 11.105 7.778 -2.401 1.00 0.00 S ATOM 0 H CYS A 35 8.402 11.092 -1.710 1.00 0.00 H new ATOM 0 HA CYS A 35 8.542 8.264 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.397 9.240 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.615 10.115 -2.307 1.00 0.00 H new ATOM 0 HG CYS A 35 11.977 7.839 -1.438 1.00 0.00 H new ATOM 539 N LYS A 36 10.078 10.509 0.756 1.00 0.00 N ATOM 540 CA LYS A 36 10.774 10.756 2.039 1.00 0.00 C ATOM 541 C LYS A 36 10.030 9.985 3.156 1.00 0.00 C ATOM 542 O LYS A 36 10.609 9.141 3.838 1.00 0.00 O ATOM 543 CB LYS A 36 10.810 12.302 2.333 1.00 0.00 C ATOM 544 CG LYS A 36 11.873 12.820 3.352 1.00 0.00 C ATOM 545 CD LYS A 36 11.683 12.336 4.819 1.00 0.00 C ATOM 546 CE LYS A 36 10.304 12.674 5.423 1.00 0.00 C ATOM 547 NZ LYS A 36 10.030 14.130 5.454 1.00 0.00 N ATOM 0 H LYS A 36 9.710 11.355 0.321 1.00 0.00 H new ATOM 0 HA LYS A 36 11.804 10.404 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.971 12.820 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.825 12.598 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.860 12.510 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.860 13.910 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.828 11.256 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.459 12.783 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.527 12.175 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.250 12.277 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.091 14.298 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.753 14.607 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.053 14.508 4.485 1.00 0.00 H new ATOM 561 N ASN A 37 8.722 10.281 3.287 1.00 0.00 N ATOM 562 CA ASN A 37 7.836 9.697 4.321 1.00 0.00 C ATOM 563 C ASN A 37 7.689 8.173 4.151 1.00 0.00 C ATOM 564 O ASN A 37 7.480 7.468 5.137 1.00 0.00 O ATOM 565 CB ASN A 37 6.433 10.370 4.291 1.00 0.00 C ATOM 566 CG ASN A 37 6.414 11.839 4.736 1.00 0.00 C ATOM 567 OD1 ASN A 37 7.171 12.254 5.612 1.00 0.00 O ATOM 568 ND2 ASN A 37 5.529 12.626 4.137 1.00 0.00 N ATOM 0 H ASN A 37 8.243 10.939 2.673 1.00 0.00 H new ATOM 0 HA ASN A 37 8.302 9.887 5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.037 10.307 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.759 9.802 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.461 13.609 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.917 12.248 3.414 1.00 0.00 H new ATOM 575 N PHE A 38 7.795 7.684 2.890 1.00 0.00 N ATOM 576 CA PHE A 38 7.789 6.228 2.570 1.00 0.00 C ATOM 577 C PHE A 38 8.915 5.493 3.322 1.00 0.00 C ATOM 578 O PHE A 38 8.718 4.377 3.807 1.00 0.00 O ATOM 579 CB PHE A 38 7.947 5.989 1.038 1.00 0.00 C ATOM 580 CG PHE A 38 8.122 4.515 0.630 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.158 3.557 0.955 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.266 4.087 -0.056 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.327 2.229 0.599 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.429 2.758 -0.413 1.00 0.00 C ATOM 585 CZ PHE A 38 8.461 1.829 -0.079 1.00 0.00 C ATOM 0 H PHE A 38 7.887 8.281 2.068 1.00 0.00 H new ATOM 0 HA PHE A 38 6.827 5.830 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.071 6.391 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.809 6.555 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.269 3.856 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.033 4.804 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.568 1.503 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.312 2.448 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.592 0.791 -0.348 1.00 0.00 H new ATOM 595 N TYR A 39 10.087 6.144 3.421 1.00 0.00 N ATOM 596 CA TYR A 39 11.274 5.556 4.072 1.00 0.00 C ATOM 597 C TYR A 39 11.060 5.407 5.597 1.00 0.00 C ATOM 598 O TYR A 39 11.770 4.655 6.269 1.00 0.00 O ATOM 599 CB TYR A 39 12.536 6.401 3.763 1.00 0.00 C ATOM 600 CG TYR A 39 13.854 5.628 3.897 1.00 0.00 C ATOM 601 CD1 TYR A 39 14.090 4.512 3.091 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.852 6.003 4.801 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.273 3.805 3.176 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.041 5.292 4.888 1.00 0.00 C ATOM 605 CZ TYR A 39 16.244 4.193 4.076 1.00 0.00 C ATOM 606 OH TYR A 39 17.429 3.485 4.153 1.00 0.00 O ATOM 0 H TYR A 39 10.239 7.084 3.056 1.00 0.00 H new ATOM 0 HA TYR A 39 11.425 4.556 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.458 6.793 2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.560 7.259 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.333 4.196 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.696 6.859 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.438 2.949 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.805 5.597 5.588 1.00 0.00 H new ATOM 0 HH TYR A 39 17.638 3.100 3.276 1.00 0.00 H new ATOM 616 N PHE A 40 10.070 6.136 6.124 1.00 0.00 N ATOM 617 CA PHE A 40 9.680 6.091 7.543 1.00 0.00 C ATOM 618 C PHE A 40 8.260 5.495 7.698 1.00 0.00 C ATOM 619 O PHE A 40 7.652 5.615 8.767 1.00 0.00 O ATOM 620 CB PHE A 40 9.762 7.531 8.129 1.00 0.00 C ATOM 621 CG PHE A 40 11.144 8.173 7.987 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.500 8.849 6.824 1.00 0.00 C ATOM 623 CD2 PHE A 40 12.094 8.076 9.001 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.754 9.412 6.679 1.00 0.00 C ATOM 625 CE2 PHE A 40 13.351 8.639 8.854 1.00 0.00 C ATOM 626 CZ PHE A 40 13.679 9.305 7.693 1.00 0.00 C ATOM 0 H PHE A 40 9.508 6.784 5.572 1.00 0.00 H new ATOM 0 HA PHE A 40 10.361 5.444 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.025 8.160 7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.492 7.501 9.184 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.784 8.935 6.020 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.847 7.555 9.914 1.00 0.00 H new ATOM 0 HE1 PHE A 40 13.008 9.936 5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 40 14.075 8.556 9.651 1.00 0.00 H new ATOM 0 HZ PHE A 40 14.660 9.742 7.579 1.00 0.00 H new ATOM 770 N LEU A 48 16.643 -1.905 1.738 1.00 0.00 N ATOM 771 CA LEU A 48 16.980 -0.867 0.754 1.00 0.00 C ATOM 772 C LEU A 48 18.442 -0.388 0.914 1.00 0.00 C ATOM 773 O LEU A 48 19.074 0.069 -0.052 1.00 0.00 O ATOM 774 CB LEU A 48 15.934 0.284 0.906 1.00 0.00 C ATOM 775 CG LEU A 48 15.890 1.385 -0.203 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.874 2.548 0.057 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.104 0.761 -1.596 1.00 0.00 C ATOM 0 HA LEU A 48 16.926 -1.263 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.945 -0.169 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.117 0.778 1.860 1.00 0.00 H new ATOM 0 HG LEU A 48 14.894 1.827 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.795 3.278 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.630 3.026 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.892 2.161 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.070 1.543 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.075 0.267 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.319 0.031 -1.792 1.00 0.00 H new ATOM 789 N ASP A 49 18.967 -0.537 2.139 1.00 0.00 N ATOM 790 CA ASP A 49 20.372 -0.238 2.475 1.00 0.00 C ATOM 791 C ASP A 49 21.353 -1.087 1.629 1.00 0.00 C ATOM 792 O ASP A 49 22.418 -0.602 1.216 1.00 0.00 O ATOM 793 CB ASP A 49 20.586 -0.476 3.995 1.00 0.00 C ATOM 794 CG ASP A 49 22.032 -0.241 4.466 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.526 0.904 4.350 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.693 -1.194 4.940 1.00 0.00 O ATOM 0 H ASP A 49 18.424 -0.872 2.935 1.00 0.00 H new ATOM 0 HA ASP A 49 20.581 0.805 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.921 0.183 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.297 -1.499 4.237 1.00 0.00 H new ATOM 801 N GLU A 50 20.975 -2.352 1.364 1.00 0.00 N ATOM 802 CA GLU A 50 21.777 -3.263 0.519 1.00 0.00 C ATOM 803 C GLU A 50 21.711 -2.843 -0.969 1.00 0.00 C ATOM 804 O GLU A 50 22.695 -2.980 -1.693 1.00 0.00 O ATOM 805 CB GLU A 50 21.303 -4.734 0.652 1.00 0.00 C ATOM 806 CG GLU A 50 22.215 -5.749 -0.085 1.00 0.00 C ATOM 807 CD GLU A 50 21.567 -7.128 -0.286 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.609 -7.218 -1.088 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.999 -8.121 0.340 1.00 0.00 O ATOM 0 H GLU A 50 20.116 -2.769 1.724 1.00 0.00 H new ATOM 0 HA GLU A 50 22.806 -3.193 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.259 -4.999 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.289 -4.817 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.487 -5.340 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.139 -5.870 0.480 1.00 0.00 H new ATOM 816 N ILE A 51 20.539 -2.339 -1.412 1.00 0.00 N ATOM 817 CA ILE A 51 20.326 -1.892 -2.818 1.00 0.00 C ATOM 818 C ILE A 51 21.326 -0.761 -3.176 1.00 0.00 C ATOM 819 O ILE A 51 21.894 -0.738 -4.279 1.00 0.00 O ATOM 820 CB ILE A 51 18.821 -1.432 -3.068 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.842 -2.653 -3.201 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.669 -0.512 -4.302 1.00 0.00 C ATOM 823 CD1 ILE A 51 17.666 -3.495 -1.958 1.00 0.00 C ATOM 0 H ILE A 51 19.718 -2.229 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 51 20.512 -2.741 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 51 18.549 -0.857 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.864 -2.279 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.201 -3.296 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.622 -0.232 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.271 0.386 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.006 -1.040 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.970 -4.308 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.629 -3.909 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.272 -2.876 -1.152 1.00 0.00 H new ATOM 835 N LEU A 52 21.564 0.136 -2.209 1.00 0.00 N ATOM 836 CA LEU A 52 22.540 1.242 -2.343 1.00 0.00 C ATOM 837 C LEU A 52 23.995 0.727 -2.311 1.00 0.00 C ATOM 838 O LEU A 52 24.869 1.280 -2.994 1.00 0.00 O ATOM 839 CB LEU A 52 22.288 2.317 -1.242 1.00 0.00 C ATOM 840 CG LEU A 52 21.277 3.442 -1.609 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.821 4.296 -2.764 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.884 2.872 -1.949 1.00 0.00 C ATOM 0 H LEU A 52 21.087 0.121 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 52 22.395 1.708 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.931 1.813 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 23.242 2.780 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 52 21.157 4.080 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.102 5.078 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.765 4.752 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.982 3.665 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.208 3.689 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.966 2.195 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.493 2.329 -1.089 1.00 0.00 H new ATOM 854 N GLN A 53 24.242 -0.331 -1.520 1.00 0.00 N ATOM 855 CA GLN A 53 25.555 -1.010 -1.468 1.00 0.00 C ATOM 856 C GLN A 53 25.893 -1.623 -2.843 1.00 0.00 C ATOM 857 O GLN A 53 27.006 -1.462 -3.340 1.00 0.00 O ATOM 858 CB GLN A 53 25.546 -2.097 -0.355 1.00 0.00 C ATOM 859 CG GLN A 53 26.800 -2.994 -0.272 1.00 0.00 C ATOM 860 CD GLN A 53 28.111 -2.237 -0.011 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.490 -2.005 1.133 1.00 0.00 O ATOM 862 NE2 GLN A 53 28.817 -1.869 -1.070 1.00 0.00 N ATOM 0 H GLN A 53 23.543 -0.741 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 53 26.328 -0.280 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.414 -1.602 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.676 -2.736 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.655 -3.727 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.896 -3.549 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.475 -2.077 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.703 -1.378 -0.947 1.00 0.00 H new ATOM 871 N GLN A 54 24.897 -2.275 -3.462 1.00 0.00 N ATOM 872 CA GLN A 54 25.037 -2.914 -4.787 1.00 0.00 C ATOM 873 C GLN A 54 25.242 -1.854 -5.881 1.00 0.00 C ATOM 874 O GLN A 54 26.049 -2.040 -6.794 1.00 0.00 O ATOM 875 CB GLN A 54 23.797 -3.795 -5.103 1.00 0.00 C ATOM 876 CG GLN A 54 23.575 -4.961 -4.117 1.00 0.00 C ATOM 877 CD GLN A 54 24.736 -5.967 -4.057 1.00 0.00 C ATOM 878 OE1 GLN A 54 25.432 -6.200 -5.047 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.949 -6.574 -2.897 1.00 0.00 N ATOM 0 H GLN A 54 23.966 -2.376 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 54 25.917 -3.557 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.909 -3.163 -5.105 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.902 -4.201 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.412 -4.552 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.665 -5.491 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.357 -6.362 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.705 -7.253 -2.808 1.00 0.00 H new ATOM 888 N HIS A 55 24.516 -0.726 -5.743 1.00 0.00 N ATOM 889 CA HIS A 55 24.619 0.437 -6.650 1.00 0.00 C ATOM 890 C HIS A 55 26.067 0.966 -6.705 1.00 0.00 C ATOM 891 O HIS A 55 26.561 1.334 -7.778 1.00 0.00 O ATOM 892 CB HIS A 55 23.638 1.547 -6.183 1.00 0.00 C ATOM 893 CG HIS A 55 23.633 2.812 -7.011 1.00 0.00 C ATOM 894 ND1 HIS A 55 24.052 2.861 -8.330 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.221 4.076 -6.711 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.897 4.084 -8.799 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.394 4.841 -7.844 1.00 0.00 N ATOM 0 H HIS A 55 23.837 -0.595 -4.994 1.00 0.00 H new ATOM 0 HA HIS A 55 24.346 0.126 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.629 1.135 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.880 1.810 -5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 55 22.832 4.415 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.141 4.411 -9.799 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.169 5.832 -7.930 1.00 0.00 H new ATOM 906 N LYS A 56 26.738 0.977 -5.543 1.00 0.00 N ATOM 907 CA LYS A 56 28.138 1.421 -5.440 1.00 0.00 C ATOM 908 C LYS A 56 29.108 0.352 -5.988 1.00 0.00 C ATOM 909 O LYS A 56 29.832 0.607 -6.959 1.00 0.00 O ATOM 910 CB LYS A 56 28.503 1.773 -3.968 1.00 0.00 C ATOM 911 CG LYS A 56 30.002 2.127 -3.754 1.00 0.00 C ATOM 912 CD LYS A 56 30.340 2.568 -2.313 1.00 0.00 C ATOM 913 CE LYS A 56 29.644 3.877 -1.901 1.00 0.00 C ATOM 914 NZ LYS A 56 30.032 4.300 -0.531 1.00 0.00 N ATOM 0 H LYS A 56 26.331 0.682 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 56 28.241 2.319 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.892 2.616 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 56 28.245 0.929 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.610 1.260 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 56 30.279 2.925 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 56 30.051 1.777 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.419 2.693 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 56 29.900 4.664 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 56 28.563 3.745 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 29.543 5.185 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 29.765 3.560 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.060 4.451 -0.492 1.00 0.00 H new ATOM 928 N LEU A 57 29.079 -0.855 -5.379 1.00 0.00 N ATOM 929 CA LEU A 57 30.145 -1.865 -5.550 1.00 0.00 C ATOM 930 C LEU A 57 30.227 -2.371 -6.996 1.00 0.00 C ATOM 931 O LEU A 57 31.313 -2.604 -7.483 1.00 0.00 O ATOM 932 CB LEU A 57 30.019 -3.037 -4.510 1.00 0.00 C ATOM 933 CG LEU A 57 28.776 -4.011 -4.589 1.00 0.00 C ATOM 934 CD1 LEU A 57 28.956 -5.147 -5.624 1.00 0.00 C ATOM 935 CD2 LEU A 57 28.449 -4.608 -3.201 1.00 0.00 C ATOM 0 H LEU A 57 28.324 -1.153 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 57 31.092 -1.368 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 30.919 -3.647 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.025 -2.594 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 57 27.939 -3.400 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.068 -5.779 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.100 -4.717 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 57 29.827 -5.746 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 57 27.590 -5.274 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 29.309 -5.169 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.217 -3.803 -2.504 1.00 0.00 H new ATOM 947 N LYS A 58 29.070 -2.497 -7.677 1.00 0.00 N ATOM 948 CA LYS A 58 29.000 -2.990 -9.076 1.00 0.00 C ATOM 949 C LYS A 58 29.599 -1.968 -10.060 1.00 0.00 C ATOM 950 O LYS A 58 30.399 -2.326 -10.934 1.00 0.00 O ATOM 951 CB LYS A 58 27.531 -3.307 -9.459 1.00 0.00 C ATOM 952 CG LYS A 58 26.928 -4.522 -8.724 1.00 0.00 C ATOM 953 CD LYS A 58 25.413 -4.687 -8.992 1.00 0.00 C ATOM 954 CE LYS A 58 24.815 -5.913 -8.285 1.00 0.00 C ATOM 955 NZ LYS A 58 25.521 -7.168 -8.656 1.00 0.00 N ATOM 0 H LYS A 58 28.160 -2.263 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 58 29.590 -3.904 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.917 -2.431 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.479 -3.485 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.449 -5.427 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.094 -4.413 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.890 -3.790 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.246 -4.774 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.869 -5.772 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.759 -6.001 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.979 -7.986 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.610 -7.223 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.468 -7.174 -8.226 1.00 0.00 H new ATOM 969 N MET A 59 29.187 -0.699 -9.888 1.00 0.00 N ATOM 970 CA MET A 59 29.631 0.435 -10.730 1.00 0.00 C ATOM 971 C MET A 59 31.153 0.649 -10.609 1.00 0.00 C ATOM 972 O MET A 59 31.864 0.732 -11.614 1.00 0.00 O ATOM 973 CB MET A 59 28.845 1.719 -10.322 1.00 0.00 C ATOM 974 CG MET A 59 29.332 3.030 -10.966 1.00 0.00 C ATOM 975 SD MET A 59 29.351 2.989 -12.773 1.00 0.00 S ATOM 976 CE MET A 59 27.617 2.780 -13.187 1.00 0.00 C ATOM 0 H MET A 59 28.531 -0.426 -9.156 1.00 0.00 H new ATOM 0 HA MET A 59 29.420 0.209 -11.775 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.795 1.577 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.897 1.826 -9.239 1.00 0.00 H new ATOM 0 HG2 MET A 59 28.690 3.847 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 59 30.337 3.250 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 59 27.488 2.865 -14.266 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.280 1.797 -12.858 1.00 0.00 H new ATOM 0 HE3 MET A 59 27.029 3.551 -12.689 1.00 0.00 H new ATOM 986 N GLU A 60 31.629 0.673 -9.365 1.00 0.00 N ATOM 987 CA GLU A 60 33.038 0.940 -9.038 1.00 0.00 C ATOM 988 C GLU A 60 33.941 -0.244 -9.446 1.00 0.00 C ATOM 989 O GLU A 60 35.078 -0.043 -9.877 1.00 0.00 O ATOM 990 CB GLU A 60 33.159 1.220 -7.519 1.00 0.00 C ATOM 991 CG GLU A 60 34.557 1.666 -7.050 1.00 0.00 C ATOM 992 CD GLU A 60 34.641 1.870 -5.532 1.00 0.00 C ATOM 993 OE1 GLU A 60 34.158 2.911 -5.035 1.00 0.00 O ATOM 994 OE2 GLU A 60 35.188 0.995 -4.827 1.00 0.00 O ATOM 0 H GLU A 60 31.046 0.507 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 60 33.373 1.812 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.438 1.991 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.880 0.318 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 60 35.291 0.919 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.823 2.596 -7.552 1.00 0.00 H new ATOM 1001 N LYS A 61 33.406 -1.473 -9.301 1.00 0.00 N ATOM 1002 CA LYS A 61 34.111 -2.740 -9.619 1.00 0.00 C ATOM 1003 C LYS A 61 34.632 -2.741 -11.061 1.00 0.00 C ATOM 1004 O LYS A 61 35.840 -2.857 -11.303 1.00 0.00 O ATOM 1005 CB LYS A 61 33.123 -3.918 -9.414 1.00 0.00 C ATOM 1006 CG LYS A 61 33.675 -5.340 -9.627 1.00 0.00 C ATOM 1007 CD LYS A 61 32.562 -6.414 -9.475 1.00 0.00 C ATOM 1008 CE LYS A 61 31.514 -6.349 -10.607 1.00 0.00 C ATOM 1009 NZ LYS A 61 32.113 -6.621 -11.945 1.00 0.00 N ATOM 0 H LYS A 61 32.458 -1.620 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 61 34.971 -2.844 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.728 -3.856 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 61 32.282 -3.776 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 61 34.119 -5.414 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 61 34.470 -5.534 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.017 -7.404 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.063 -6.281 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.724 -7.074 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 61 31.048 -5.363 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.355 -6.752 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.710 -5.818 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.692 -7.483 -11.897 1.00 0.00 H new ATOM 1023 N GLU A 62 33.697 -2.561 -12.007 1.00 0.00 N ATOM 1024 CA GLU A 62 33.990 -2.603 -13.446 1.00 0.00 C ATOM 1025 C GLU A 62 34.755 -1.346 -13.910 1.00 0.00 C ATOM 1026 O GLU A 62 35.602 -1.435 -14.802 1.00 0.00 O ATOM 1027 CB GLU A 62 32.685 -2.796 -14.268 1.00 0.00 C ATOM 1028 CG GLU A 62 31.588 -1.743 -14.007 1.00 0.00 C ATOM 1029 CD GLU A 62 30.371 -1.875 -14.938 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.753 -2.961 -14.972 1.00 0.00 O ATOM 1031 OE2 GLU A 62 30.011 -0.890 -15.620 1.00 0.00 O ATOM 0 H GLU A 62 32.716 -2.382 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 62 34.638 -3.461 -13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.936 -2.782 -15.329 1.00 0.00 H new ATOM 0 HB3 GLU A 62 32.279 -3.784 -14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.254 -1.828 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 62 32.017 -0.748 -14.123 1.00 0.00 H new ATOM 1038 N ARG A 63 34.469 -0.189 -13.271 1.00 0.00 N ATOM 1039 CA ARG A 63 35.059 1.111 -13.662 1.00 0.00 C ATOM 1040 C ARG A 63 36.556 1.175 -13.299 1.00 0.00 C ATOM 1041 O ARG A 63 37.362 1.697 -14.064 1.00 0.00 O ATOM 1042 CB ARG A 63 34.281 2.285 -13.009 1.00 0.00 C ATOM 1043 CG ARG A 63 34.666 3.684 -13.533 1.00 0.00 C ATOM 1044 CD ARG A 63 33.755 4.799 -12.987 1.00 0.00 C ATOM 1045 NE ARG A 63 34.056 6.117 -13.596 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.196 7.151 -13.687 1.00 0.00 C ATOM 1047 NH1 ARG A 63 31.971 7.078 -13.174 1.00 0.00 N ATOM 1048 NH2 ARG A 63 33.573 8.266 -14.291 1.00 0.00 N ATOM 0 H ARG A 63 33.830 -0.130 -12.478 1.00 0.00 H new ATOM 0 HA ARG A 63 34.975 1.206 -14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.214 2.132 -13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.446 2.257 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.699 3.898 -13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.620 3.684 -14.622 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.713 4.541 -13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 63 33.873 4.865 -11.905 1.00 0.00 H new ATOM 0 HE ARG A 63 34.992 6.253 -13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.666 6.228 -12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.336 7.872 -13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 63 34.511 8.340 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.926 9.051 -14.362 1.00 0.00 H new ATOM 1062 N ASN A 64 36.911 0.611 -12.140 1.00 0.00 N ATOM 1063 CA ASN A 64 38.309 0.546 -11.662 1.00 0.00 C ATOM 1064 C ASN A 64 39.101 -0.488 -12.494 1.00 0.00 C ATOM 1065 O ASN A 64 40.233 -0.225 -12.932 1.00 0.00 O ATOM 1066 CB ASN A 64 38.317 0.188 -10.144 1.00 0.00 C ATOM 1067 CG ASN A 64 39.675 0.339 -9.430 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.743 0.181 -10.019 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.634 0.623 -8.131 1.00 0.00 N ATOM 0 H ASN A 64 36.241 0.184 -11.501 1.00 0.00 H new ATOM 0 HA ASN A 64 38.794 1.514 -11.789 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.588 0.820 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.980 -0.842 -10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.501 0.714 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 64 38.736 0.750 -7.665 1.00 0.00 H new