USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 2 ASN : amide:sc= 0.707 K(o=1.9,f=-9.1!) USER MOD Set 1.2: A 7 LYS NZ :NH3+ 173:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.163 (180deg=-0.239) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0804 (180deg=-0.538) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -5.72! K(o=-5.7!,f=-1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0245 (180deg=-0.186) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 1.33 (180deg=1.1) USER MOD Single : A 25 THR OG1 : rot -61:sc= 1.32 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 35 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-2.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 2.42 (180deg=2.18) USER MOD Single : A 44 GLN : amide:sc= 0.977 K(o=0.98,f=-0.95) USER MOD Single : A 47 TYR OH : rot 52:sc= 0.626 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 1.56 (180deg=0.473) USER MOD Single : A 56 GLN : amide:sc= 0.497 K(o=0.5,f=-5!) USER MOD Single : A 62 SER OG : rot -73:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.755 4.299 2.987 1.00 0.00 N ATOM 2 CA MET A 1 12.460 5.531 3.413 1.00 0.00 C ATOM 3 C MET A 1 11.721 6.781 2.941 1.00 0.00 C ATOM 4 O MET A 1 12.334 7.835 2.762 1.00 0.00 O ATOM 5 CB MET A 1 13.892 5.541 2.878 1.00 0.00 C ATOM 6 CG MET A 1 14.795 4.509 3.530 1.00 0.00 C ATOM 7 SD MET A 1 16.505 4.642 2.978 1.00 0.00 S ATOM 8 CE MET A 1 17.265 3.348 3.952 1.00 0.00 C ATOM 0 H1 MET A 1 12.345 3.470 3.201 1.00 0.00 H new ATOM 0 H2 MET A 1 10.852 4.222 3.496 1.00 0.00 H new ATOM 0 H3 MET A 1 11.573 4.339 1.964 1.00 0.00 H new ATOM 0 HA MET A 1 12.486 5.538 4.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.870 5.364 1.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.320 6.532 3.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.756 4.629 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.421 3.510 3.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.330 3.300 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.128 3.563 5.012 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.800 2.392 3.713 1.00 0.00 H new ATOM 18 N ASN A 2 10.407 6.653 2.742 1.00 0.00 N ATOM 19 CA ASN A 2 9.546 7.782 2.377 1.00 0.00 C ATOM 20 C ASN A 2 9.846 8.273 0.956 1.00 0.00 C ATOM 21 O ASN A 2 9.581 9.422 0.603 1.00 0.00 O ATOM 22 CB ASN A 2 9.691 8.917 3.405 1.00 0.00 C ATOM 23 CG ASN A 2 8.670 10.027 3.227 1.00 0.00 C ATOM 24 OD1 ASN A 2 7.573 9.811 2.708 1.00 0.00 O ATOM 25 ND2 ASN A 2 9.007 11.218 3.691 1.00 0.00 N ATOM 0 H ASN A 2 9.910 5.766 2.829 1.00 0.00 H new ATOM 0 HA ASN A 2 8.510 7.442 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.595 8.503 4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.693 9.340 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.350 11.995 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.924 11.360 4.114 1.00 0.00 H new ATOM 32 N SER A 3 10.373 7.382 0.126 1.00 0.00 N ATOM 33 CA SER A 3 10.583 7.687 -1.283 1.00 0.00 C ATOM 34 C SER A 3 9.397 7.176 -2.098 1.00 0.00 C ATOM 35 O SER A 3 9.462 7.047 -3.322 1.00 0.00 O ATOM 36 CB SER A 3 11.898 7.074 -1.777 1.00 0.00 C ATOM 37 OG SER A 3 11.979 5.694 -1.464 1.00 0.00 O ATOM 0 H SER A 3 10.662 6.444 0.404 1.00 0.00 H new ATOM 0 HA SER A 3 10.655 8.767 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.981 7.209 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.738 7.600 -1.325 1.00 0.00 H new ATOM 0 HG SER A 3 12.828 5.333 -1.794 1.00 0.00 H new ATOM 43 N ASP A 4 8.307 6.890 -1.388 1.00 0.00 N ATOM 44 CA ASP A 4 7.076 6.410 -1.998 1.00 0.00 C ATOM 45 C ASP A 4 6.488 7.469 -2.920 1.00 0.00 C ATOM 46 O ASP A 4 6.025 8.514 -2.465 1.00 0.00 O ATOM 47 CB ASP A 4 6.043 6.054 -0.921 1.00 0.00 C ATOM 48 CG ASP A 4 6.535 5.004 0.053 1.00 0.00 C ATOM 49 OD1 ASP A 4 6.337 3.803 -0.214 1.00 0.00 O ATOM 50 OD2 ASP A 4 7.109 5.376 1.097 1.00 0.00 O ATOM 0 H ASP A 4 8.256 6.986 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 4 7.316 5.518 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.777 6.956 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.134 5.695 -1.403 1.00 0.00 H new ATOM 55 N VAL A 5 6.518 7.207 -4.216 1.00 0.00 N ATOM 56 CA VAL A 5 5.925 8.120 -5.188 1.00 0.00 C ATOM 57 C VAL A 5 4.457 7.781 -5.421 1.00 0.00 C ATOM 58 O VAL A 5 3.715 8.547 -6.036 1.00 0.00 O ATOM 59 CB VAL A 5 6.680 8.095 -6.536 1.00 0.00 C ATOM 60 CG1 VAL A 5 8.109 8.586 -6.359 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.664 6.698 -7.143 1.00 0.00 C ATOM 0 H VAL A 5 6.944 6.374 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 5 6.004 9.124 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 5 6.167 8.768 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.624 8.561 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.098 9.608 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.630 7.942 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.202 6.707 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.145 5.999 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.633 6.387 -7.314 1.00 0.00 H new ATOM 71 N ILE A 6 4.043 6.636 -4.900 1.00 0.00 N ATOM 72 CA ILE A 6 2.686 6.141 -5.097 1.00 0.00 C ATOM 73 C ILE A 6 1.745 6.691 -4.023 1.00 0.00 C ATOM 74 O ILE A 6 0.532 6.759 -4.220 1.00 0.00 O ATOM 75 CB ILE A 6 2.663 4.595 -5.055 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.759 4.025 -5.961 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.300 4.062 -5.476 1.00 0.00 C ATOM 78 CD1 ILE A 6 3.899 2.522 -5.869 1.00 0.00 C ATOM 0 H ILE A 6 4.632 6.026 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 6 2.345 6.481 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 6 2.852 4.277 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.544 4.299 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.711 4.487 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.308 2.973 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.535 4.443 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.080 4.389 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.693 2.189 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.145 2.242 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.960 2.051 -6.159 1.00 0.00 H new ATOM 90 N LYS A 7 2.326 7.131 -2.906 1.00 0.00 N ATOM 91 CA LYS A 7 1.554 7.532 -1.724 1.00 0.00 C ATOM 92 C LYS A 7 0.610 8.699 -2.013 1.00 0.00 C ATOM 93 O LYS A 7 -0.369 8.903 -1.293 1.00 0.00 O ATOM 94 CB LYS A 7 2.496 7.913 -0.576 1.00 0.00 C ATOM 95 CG LYS A 7 3.397 9.095 -0.898 1.00 0.00 C ATOM 96 CD LYS A 7 4.222 9.530 0.303 1.00 0.00 C ATOM 97 CE LYS A 7 5.121 10.703 -0.053 1.00 0.00 C ATOM 98 NZ LYS A 7 5.855 11.234 1.127 1.00 0.00 N ATOM 0 H LYS A 7 3.336 7.220 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 7 0.946 6.673 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.903 8.149 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.115 7.052 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.064 8.829 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.788 9.931 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.560 9.810 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.829 8.695 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.838 10.391 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.519 11.499 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.541 11.951 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.180 11.665 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.358 10.457 1.601 1.00 0.00 H new ATOM 112 N GLY A 8 0.904 9.461 -3.055 1.00 0.00 N ATOM 113 CA GLY A 8 0.097 10.622 -3.364 1.00 0.00 C ATOM 114 C GLY A 8 -0.996 10.329 -4.373 1.00 0.00 C ATOM 115 O GLY A 8 -2.173 10.567 -4.111 1.00 0.00 O ATOM 0 H GLY A 8 1.685 9.297 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.354 10.999 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.740 11.412 -3.751 1.00 0.00 H new ATOM 119 N LYS A 9 -0.613 9.779 -5.518 1.00 0.00 N ATOM 120 CA LYS A 9 -1.545 9.588 -6.626 1.00 0.00 C ATOM 121 C LYS A 9 -2.140 8.185 -6.635 1.00 0.00 C ATOM 122 O LYS A 9 -2.592 7.704 -7.673 1.00 0.00 O ATOM 123 CB LYS A 9 -0.854 9.878 -7.965 1.00 0.00 C ATOM 124 CG LYS A 9 -0.707 11.363 -8.275 1.00 0.00 C ATOM 125 CD LYS A 9 0.274 12.053 -7.340 1.00 0.00 C ATOM 126 CE LYS A 9 0.219 13.563 -7.497 1.00 0.00 C ATOM 127 NZ LYS A 9 -1.113 14.110 -7.122 1.00 0.00 N ATOM 0 H LYS A 9 0.336 9.457 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.364 10.293 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.134 9.418 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.422 9.404 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.372 11.486 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.681 11.846 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.047 11.784 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.285 11.701 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.988 14.021 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.444 13.829 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.028 15.129 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.783 13.959 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.460 13.625 -6.270 1.00 0.00 H new ATOM 141 N TRP A 10 -2.172 7.552 -5.470 1.00 0.00 N ATOM 142 CA TRP A 10 -2.760 6.222 -5.319 1.00 0.00 C ATOM 143 C TRP A 10 -4.191 6.187 -5.866 1.00 0.00 C ATOM 144 O TRP A 10 -4.578 5.245 -6.555 1.00 0.00 O ATOM 145 CB TRP A 10 -2.741 5.820 -3.841 1.00 0.00 C ATOM 146 CG TRP A 10 -3.426 4.519 -3.546 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.734 4.349 -3.204 1.00 0.00 C ATOM 148 CD2 TRP A 10 -2.841 3.211 -3.550 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.000 3.022 -3.002 1.00 0.00 N ATOM 150 CE2 TRP A 10 -3.856 2.301 -3.205 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.560 2.719 -3.813 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.631 0.930 -3.115 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.337 1.359 -3.721 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.367 0.479 -3.375 1.00 0.00 C ATOM 0 H TRP A 10 -1.794 7.941 -4.606 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.168 5.510 -5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.705 5.756 -3.507 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.216 6.608 -3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.456 5.146 -3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.906 2.633 -2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.758 3.390 -4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.425 0.248 -2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.350 0.969 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.160 -0.579 -3.312 1.00 0.00 H new ATOM 165 N LYS A 11 -4.951 7.243 -5.580 1.00 0.00 N ATOM 166 CA LYS A 11 -6.342 7.355 -6.021 1.00 0.00 C ATOM 167 C LYS A 11 -6.453 7.330 -7.553 1.00 0.00 C ATOM 168 O LYS A 11 -7.489 6.961 -8.105 1.00 0.00 O ATOM 169 CB LYS A 11 -6.947 8.655 -5.466 1.00 0.00 C ATOM 170 CG LYS A 11 -8.388 8.914 -5.884 1.00 0.00 C ATOM 171 CD LYS A 11 -9.341 7.858 -5.345 1.00 0.00 C ATOM 172 CE LYS A 11 -10.780 8.175 -5.722 1.00 0.00 C ATOM 173 NZ LYS A 11 -11.730 7.148 -5.220 1.00 0.00 N ATOM 0 H LYS A 11 -4.622 8.042 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.895 6.497 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.898 8.627 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.332 9.494 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.697 9.896 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.451 8.936 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.066 6.880 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.250 7.801 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.054 9.150 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.863 8.245 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.698 7.404 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.486 6.222 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.671 7.098 -4.183 1.00 0.00 H new ATOM 187 N GLN A 12 -5.383 7.715 -8.230 1.00 0.00 N ATOM 188 CA GLN A 12 -5.378 7.770 -9.685 1.00 0.00 C ATOM 189 C GLN A 12 -4.725 6.523 -10.278 1.00 0.00 C ATOM 190 O GLN A 12 -5.027 6.123 -11.404 1.00 0.00 O ATOM 191 CB GLN A 12 -4.648 9.032 -10.159 1.00 0.00 C ATOM 192 CG GLN A 12 -4.529 9.161 -11.674 1.00 0.00 C ATOM 193 CD GLN A 12 -5.842 9.482 -12.375 1.00 0.00 C ATOM 194 OE1 GLN A 12 -5.845 10.120 -13.426 1.00 0.00 O ATOM 195 NE2 GLN A 12 -6.961 9.049 -11.812 1.00 0.00 N ATOM 0 H GLN A 12 -4.504 7.995 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.411 7.806 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.172 9.906 -9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.648 9.042 -9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.805 9.942 -11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.132 8.229 -12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.922 8.522 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.861 9.242 -12.251 1.00 0.00 H new ATOM 204 N LEU A 13 -3.844 5.898 -9.509 1.00 0.00 N ATOM 205 CA LEU A 13 -3.093 4.745 -9.989 1.00 0.00 C ATOM 206 C LEU A 13 -3.882 3.452 -9.813 1.00 0.00 C ATOM 207 O LEU A 13 -3.363 2.369 -10.073 1.00 0.00 O ATOM 208 CB LEU A 13 -1.748 4.639 -9.263 1.00 0.00 C ATOM 209 CG LEU A 13 -0.784 5.803 -9.507 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.503 5.604 -8.722 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.484 5.943 -10.994 1.00 0.00 C ATOM 0 H LEU A 13 -3.631 6.170 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.913 4.891 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.936 4.562 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.260 3.713 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.259 6.721 -9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.176 6.441 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.275 5.551 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.982 4.677 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.203 6.775 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.029 5.023 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.411 6.131 -11.536 1.00 0.00 H new ATOM 223 N THR A 14 -5.134 3.574 -9.392 1.00 0.00 N ATOM 224 CA THR A 14 -6.004 2.419 -9.200 1.00 0.00 C ATOM 225 C THR A 14 -6.116 1.594 -10.483 1.00 0.00 C ATOM 226 O THR A 14 -5.961 0.371 -10.468 1.00 0.00 O ATOM 227 CB THR A 14 -7.408 2.860 -8.745 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.885 3.915 -9.593 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.391 3.335 -7.299 1.00 0.00 C ATOM 0 H THR A 14 -5.573 4.469 -9.175 1.00 0.00 H new ATOM 0 HA THR A 14 -5.557 1.799 -8.423 1.00 0.00 H new ATOM 0 HB THR A 14 -8.075 2.001 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.779 4.191 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.395 3.640 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.054 2.524 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.711 4.182 -7.202 1.00 0.00 H new ATOM 237 N GLY A 15 -6.368 2.275 -11.595 1.00 0.00 N ATOM 238 CA GLY A 15 -6.458 1.600 -12.874 1.00 0.00 C ATOM 239 C GLY A 15 -5.127 1.024 -13.306 1.00 0.00 C ATOM 240 O GLY A 15 -5.070 -0.042 -13.915 1.00 0.00 O ATOM 0 H GLY A 15 -6.512 3.284 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.196 0.800 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.812 2.301 -13.630 1.00 0.00 H new ATOM 244 N LYS A 16 -4.051 1.729 -12.981 1.00 0.00 N ATOM 245 CA LYS A 16 -2.703 1.280 -13.312 1.00 0.00 C ATOM 246 C LYS A 16 -2.362 -0.013 -12.582 1.00 0.00 C ATOM 247 O LYS A 16 -1.893 -0.970 -13.192 1.00 0.00 O ATOM 248 CB LYS A 16 -1.681 2.366 -12.967 1.00 0.00 C ATOM 249 CG LYS A 16 -1.666 3.521 -13.953 1.00 0.00 C ATOM 250 CD LYS A 16 -1.207 3.059 -15.327 1.00 0.00 C ATOM 251 CE LYS A 16 -1.200 4.196 -16.334 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.560 4.755 -16.552 1.00 0.00 N ATOM 0 H LYS A 16 -4.086 2.620 -12.485 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.666 1.086 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.896 2.752 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.688 1.919 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.663 3.955 -14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.003 4.306 -13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.206 2.635 -15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.864 2.265 -15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.535 4.986 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.799 3.838 -17.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.549 5.381 -17.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.233 3.978 -16.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.851 5.298 -15.714 1.00 0.00 H new ATOM 266 N ILE A 17 -2.620 -0.038 -11.281 1.00 0.00 N ATOM 267 CA ILE A 17 -2.342 -1.211 -10.462 1.00 0.00 C ATOM 268 C ILE A 17 -3.139 -2.419 -10.954 1.00 0.00 C ATOM 269 O ILE A 17 -2.615 -3.536 -11.032 1.00 0.00 O ATOM 270 CB ILE A 17 -2.673 -0.938 -8.979 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.811 0.212 -8.450 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.463 -2.190 -8.139 1.00 0.00 C ATOM 273 CD1 ILE A 17 -2.169 0.647 -7.048 1.00 0.00 C ATOM 0 H ILE A 17 -3.024 0.745 -10.768 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.278 -1.431 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.723 -0.653 -8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.764 -0.092 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.908 1.065 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.702 -1.974 -7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.113 -2.986 -8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.423 -2.508 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.516 1.465 -6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.206 0.983 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.044 -0.192 -6.364 1.00 0.00 H new ATOM 285 N LYS A 18 -4.398 -2.183 -11.304 1.00 0.00 N ATOM 286 CA LYS A 18 -5.264 -3.248 -11.792 1.00 0.00 C ATOM 287 C LYS A 18 -4.752 -3.807 -13.120 1.00 0.00 C ATOM 288 O LYS A 18 -4.770 -5.016 -13.338 1.00 0.00 O ATOM 289 CB LYS A 18 -6.701 -2.750 -11.956 1.00 0.00 C ATOM 290 CG LYS A 18 -7.642 -3.818 -12.485 1.00 0.00 C ATOM 291 CD LYS A 18 -9.051 -3.294 -12.689 1.00 0.00 C ATOM 292 CE LYS A 18 -9.737 -2.970 -11.372 1.00 0.00 C ATOM 293 NZ LYS A 18 -11.196 -2.743 -11.556 1.00 0.00 N ATOM 0 H LYS A 18 -4.841 -1.265 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.252 -4.047 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.068 -2.394 -10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.709 -1.898 -12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.259 -4.201 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.666 -4.656 -11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.018 -2.399 -13.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.638 -4.036 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.581 -3.788 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.282 -2.082 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.566 -2.193 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.357 -2.218 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.687 -3.659 -11.603 1.00 0.00 H new ATOM 307 N GLU A 19 -4.294 -2.933 -14.004 1.00 0.00 N ATOM 308 CA GLU A 19 -3.785 -3.354 -15.290 1.00 0.00 C ATOM 309 C GLU A 19 -2.416 -4.016 -15.157 1.00 0.00 C ATOM 310 O GLU A 19 -2.017 -4.818 -16.004 1.00 0.00 O ATOM 311 CB GLU A 19 -3.722 -2.159 -16.229 1.00 0.00 C ATOM 312 CG GLU A 19 -5.095 -1.659 -16.647 1.00 0.00 C ATOM 313 CD GLU A 19 -5.970 -2.771 -17.187 1.00 0.00 C ATOM 314 OE1 GLU A 19 -5.887 -3.068 -18.397 1.00 0.00 O ATOM 315 OE2 GLU A 19 -6.740 -3.365 -16.403 1.00 0.00 O ATOM 0 H GLU A 19 -4.267 -1.925 -13.848 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.464 -4.099 -15.706 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.179 -1.349 -15.741 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.155 -2.432 -17.119 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.587 -1.195 -15.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.982 -0.886 -17.407 1.00 0.00 H new ATOM 322 N ARG A 20 -1.702 -3.680 -14.093 1.00 0.00 N ATOM 323 CA ARG A 20 -0.423 -4.311 -13.797 1.00 0.00 C ATOM 324 C ARG A 20 -0.620 -5.762 -13.381 1.00 0.00 C ATOM 325 O ARG A 20 -0.177 -6.682 -14.063 1.00 0.00 O ATOM 326 CB ARG A 20 0.306 -3.558 -12.686 1.00 0.00 C ATOM 327 CG ARG A 20 0.983 -2.281 -13.143 1.00 0.00 C ATOM 328 CD ARG A 20 2.129 -2.574 -14.092 1.00 0.00 C ATOM 329 NE ARG A 20 3.028 -1.432 -14.228 1.00 0.00 N ATOM 330 CZ ARG A 20 4.345 -1.510 -14.076 1.00 0.00 C ATOM 331 NH1 ARG A 20 4.916 -2.682 -13.835 1.00 0.00 N ATOM 332 NH2 ARG A 20 5.092 -0.415 -14.173 1.00 0.00 N ATOM 0 H ARG A 20 -1.988 -2.971 -13.417 1.00 0.00 H new ATOM 0 HA ARG A 20 0.180 -4.280 -14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.407 -3.316 -11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.055 -4.217 -12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.255 -1.637 -13.637 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.356 -1.735 -12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.689 -3.436 -13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.731 -2.841 -15.071 1.00 0.00 H new ATOM 0 HE ARG A 20 2.622 -0.524 -14.452 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.344 -3.524 -13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.928 -2.742 -13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.654 0.486 -14.364 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.103 -0.476 -14.056 1.00 0.00 H new ATOM 346 N TRP A 21 -1.308 -5.961 -12.267 1.00 0.00 N ATOM 347 CA TRP A 21 -1.482 -7.293 -11.716 1.00 0.00 C ATOM 348 C TRP A 21 -2.770 -7.933 -12.204 1.00 0.00 C ATOM 349 O TRP A 21 -2.743 -8.908 -12.954 1.00 0.00 O ATOM 350 CB TRP A 21 -1.420 -7.243 -10.189 1.00 0.00 C ATOM 351 CG TRP A 21 -0.034 -6.973 -9.687 1.00 0.00 C ATOM 352 CD1 TRP A 21 0.982 -7.875 -9.594 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.496 -5.724 -9.223 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.111 -7.269 -9.104 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.840 -5.950 -8.865 1.00 0.00 C ATOM 356 CE3 TRP A 21 -0.030 -4.441 -9.073 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.661 -4.941 -8.370 1.00 0.00 C ATOM 358 CZ3 TRP A 21 0.787 -3.440 -8.581 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.119 -3.695 -8.234 1.00 0.00 C ATOM 0 H TRP A 21 -1.753 -5.218 -11.729 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.665 -7.921 -12.070 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.094 -6.467 -9.825 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.774 -8.190 -9.782 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.909 -8.917 -9.867 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.008 -7.728 -8.944 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.057 -4.233 -9.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.689 -5.136 -8.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.390 -2.443 -8.462 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.730 -2.891 -7.851 1.00 0.00 H new ATOM 370 N GLY A 22 -3.883 -7.369 -11.795 1.00 0.00 N ATOM 371 CA GLY A 22 -5.176 -7.863 -12.235 1.00 0.00 C ATOM 372 C GLY A 22 -6.053 -8.321 -11.089 1.00 0.00 C ATOM 373 O GLY A 22 -7.232 -7.976 -11.026 1.00 0.00 O ATOM 0 H GLY A 22 -3.924 -6.571 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.691 -7.077 -12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.026 -8.693 -12.926 1.00 0.00 H new ATOM 377 N ASP A 23 -5.472 -9.089 -10.177 1.00 0.00 N ATOM 378 CA ASP A 23 -6.215 -9.632 -9.039 1.00 0.00 C ATOM 379 C ASP A 23 -6.593 -8.540 -8.048 1.00 0.00 C ATOM 380 O ASP A 23 -7.561 -8.673 -7.301 1.00 0.00 O ATOM 381 CB ASP A 23 -5.394 -10.701 -8.317 1.00 0.00 C ATOM 382 CG ASP A 23 -5.271 -11.990 -9.100 1.00 0.00 C ATOM 383 OD1 ASP A 23 -4.516 -12.020 -10.097 1.00 0.00 O ATOM 384 OD2 ASP A 23 -5.902 -12.990 -8.704 1.00 0.00 O ATOM 0 H ASP A 23 -4.487 -9.352 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.127 -10.078 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.397 -10.309 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.854 -10.913 -7.352 1.00 0.00 H new ATOM 389 N LEU A 24 -5.818 -7.468 -8.032 1.00 0.00 N ATOM 390 CA LEU A 24 -6.095 -6.350 -7.147 1.00 0.00 C ATOM 391 C LEU A 24 -7.220 -5.496 -7.709 1.00 0.00 C ATOM 392 O LEU A 24 -7.032 -4.760 -8.680 1.00 0.00 O ATOM 393 CB LEU A 24 -4.839 -5.497 -6.939 1.00 0.00 C ATOM 394 CG LEU A 24 -3.680 -6.205 -6.231 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.479 -5.282 -6.123 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.108 -6.683 -4.852 1.00 0.00 C ATOM 0 H LEU A 24 -4.994 -7.349 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.405 -6.749 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.491 -5.148 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.111 -4.613 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.396 -7.074 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.665 -5.802 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.156 -4.987 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.752 -4.394 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.271 -7.183 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.420 -5.829 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.940 -7.380 -4.951 1.00 0.00 H new ATOM 408 N THR A 25 -8.396 -5.621 -7.115 1.00 0.00 N ATOM 409 CA THR A 25 -9.546 -4.844 -7.540 1.00 0.00 C ATOM 410 C THR A 25 -9.378 -3.391 -7.113 1.00 0.00 C ATOM 411 O THR A 25 -8.610 -3.097 -6.198 1.00 0.00 O ATOM 412 CB THR A 25 -10.852 -5.404 -6.939 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.833 -5.283 -5.508 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.045 -6.865 -7.323 1.00 0.00 C ATOM 0 H THR A 25 -8.578 -6.254 -6.336 1.00 0.00 H new ATOM 0 HA THR A 25 -9.609 -4.906 -8.626 1.00 0.00 H new ATOM 0 HB THR A 25 -11.683 -4.824 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.088 -5.806 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.972 -7.236 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.094 -6.953 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.207 -7.453 -6.949 1.00 0.00 H new ATOM 422 N ASP A 26 -10.100 -2.484 -7.755 1.00 0.00 N ATOM 423 CA ASP A 26 -10.013 -1.068 -7.404 1.00 0.00 C ATOM 424 C ASP A 26 -10.715 -0.807 -6.077 1.00 0.00 C ATOM 425 O ASP A 26 -10.611 0.278 -5.510 1.00 0.00 O ATOM 426 CB ASP A 26 -10.589 -0.181 -8.515 1.00 0.00 C ATOM 427 CG ASP A 26 -12.028 -0.503 -8.856 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.277 -1.595 -9.405 1.00 0.00 O ATOM 429 OD2 ASP A 26 -12.910 0.345 -8.613 1.00 0.00 O ATOM 0 H ASP A 26 -10.747 -2.697 -8.514 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.960 -0.810 -7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.521 0.863 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.978 -0.291 -9.411 1.00 0.00 H new ATOM 434 N ASP A 27 -11.418 -1.820 -5.582 1.00 0.00 N ATOM 435 CA ASP A 27 -11.993 -1.771 -4.243 1.00 0.00 C ATOM 436 C ASP A 27 -10.924 -2.100 -3.207 1.00 0.00 C ATOM 437 O ASP A 27 -10.950 -1.588 -2.086 1.00 0.00 O ATOM 438 CB ASP A 27 -13.177 -2.735 -4.112 1.00 0.00 C ATOM 439 CG ASP A 27 -14.428 -2.206 -4.783 1.00 0.00 C ATOM 440 OD1 ASP A 27 -15.163 -1.430 -4.140 1.00 0.00 O ATOM 441 OD2 ASP A 27 -14.680 -2.557 -5.955 1.00 0.00 O ATOM 0 H ASP A 27 -11.603 -2.686 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.364 -0.761 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.910 -3.696 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.382 -2.914 -3.056 1.00 0.00 H new ATOM 446 N ASP A 28 -9.979 -2.959 -3.588 1.00 0.00 N ATOM 447 CA ASP A 28 -8.807 -3.235 -2.753 1.00 0.00 C ATOM 448 C ASP A 28 -7.892 -2.025 -2.751 1.00 0.00 C ATOM 449 O ASP A 28 -7.137 -1.796 -1.808 1.00 0.00 O ATOM 450 CB ASP A 28 -8.011 -4.445 -3.265 1.00 0.00 C ATOM 451 CG ASP A 28 -8.681 -5.774 -2.996 1.00 0.00 C ATOM 452 OD1 ASP A 28 -8.787 -6.164 -1.812 1.00 0.00 O ATOM 453 OD2 ASP A 28 -9.078 -6.448 -3.969 1.00 0.00 O ATOM 0 H ASP A 28 -10.000 -3.476 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.165 -3.456 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.855 -4.338 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.026 -4.444 -2.798 1.00 0.00 H new ATOM 458 N LEU A 29 -7.976 -1.256 -3.826 1.00 0.00 N ATOM 459 CA LEU A 29 -7.117 -0.103 -4.027 1.00 0.00 C ATOM 460 C LEU A 29 -7.805 1.171 -3.553 1.00 0.00 C ATOM 461 O LEU A 29 -7.417 2.274 -3.921 1.00 0.00 O ATOM 462 CB LEU A 29 -6.754 0.010 -5.507 1.00 0.00 C ATOM 463 CG LEU A 29 -6.154 -1.258 -6.119 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.924 -1.073 -7.606 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.858 -1.633 -5.414 1.00 0.00 C ATOM 0 H LEU A 29 -8.642 -1.415 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.207 -0.234 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.650 0.278 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.044 0.828 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.863 -2.075 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.497 -1.984 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.873 -0.858 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.236 -0.243 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.447 -2.537 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.140 -0.819 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.057 -1.812 -4.357 1.00 0.00 H new ATOM 477 N GLN A 30 -8.826 1.016 -2.730 1.00 0.00 N ATOM 478 CA GLN A 30 -9.506 2.158 -2.147 1.00 0.00 C ATOM 479 C GLN A 30 -9.370 2.100 -0.631 1.00 0.00 C ATOM 480 O GLN A 30 -10.166 1.447 0.048 1.00 0.00 O ATOM 481 CB GLN A 30 -10.978 2.178 -2.563 1.00 0.00 C ATOM 482 CG GLN A 30 -11.698 3.467 -2.209 1.00 0.00 C ATOM 483 CD GLN A 30 -13.147 3.461 -2.650 1.00 0.00 C ATOM 484 OE1 GLN A 30 -13.511 2.812 -3.629 1.00 0.00 O ATOM 485 NE2 GLN A 30 -13.984 4.186 -1.931 1.00 0.00 N ATOM 0 H GLN A 30 -9.203 0.110 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.048 3.078 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.044 2.020 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.492 1.343 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.650 3.622 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.183 4.307 -2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.642 4.710 -1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.972 4.222 -2.181 1.00 0.00 H new ATOM 494 N ALA A 31 -8.343 2.762 -0.114 1.00 0.00 N ATOM 495 CA ALA A 31 -8.004 2.670 1.299 1.00 0.00 C ATOM 496 C ALA A 31 -7.119 3.842 1.724 1.00 0.00 C ATOM 497 O ALA A 31 -7.202 4.928 1.151 1.00 0.00 O ATOM 498 CB ALA A 31 -7.304 1.346 1.570 1.00 0.00 C ATOM 0 H ALA A 31 -7.729 3.371 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.922 2.716 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.051 1.278 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.966 0.523 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.393 1.287 0.974 1.00 0.00 H new ATOM 504 N ALA A 32 -6.282 3.611 2.734 1.00 0.00 N ATOM 505 CA ALA A 32 -5.398 4.643 3.276 1.00 0.00 C ATOM 506 C ALA A 32 -4.258 4.986 2.311 1.00 0.00 C ATOM 507 O ALA A 32 -4.375 4.786 1.100 1.00 0.00 O ATOM 508 CB ALA A 32 -4.843 4.179 4.614 1.00 0.00 C ATOM 0 H ALA A 32 -6.197 2.707 3.199 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.982 5.553 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.184 4.946 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.665 4.003 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.282 3.255 4.474 1.00 0.00 H new ATOM 514 N ASP A 33 -3.153 5.500 2.856 1.00 0.00 N ATOM 515 CA ASP A 33 -2.030 5.955 2.040 1.00 0.00 C ATOM 516 C ASP A 33 -1.427 4.808 1.254 1.00 0.00 C ATOM 517 O ASP A 33 -0.975 3.815 1.827 1.00 0.00 O ATOM 518 CB ASP A 33 -0.941 6.607 2.897 1.00 0.00 C ATOM 519 CG ASP A 33 -1.387 7.910 3.526 1.00 0.00 C ATOM 520 OD1 ASP A 33 -1.558 8.905 2.791 1.00 0.00 O ATOM 521 OD2 ASP A 33 -1.557 7.949 4.762 1.00 0.00 O ATOM 0 H ASP A 33 -3.014 5.611 3.860 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.423 6.698 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.641 5.914 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.061 6.790 2.280 1.00 0.00 H new ATOM 526 N GLY A 34 -1.413 4.955 -0.059 1.00 0.00 N ATOM 527 CA GLY A 34 -0.891 3.917 -0.917 1.00 0.00 C ATOM 528 C GLY A 34 0.618 3.942 -1.023 1.00 0.00 C ATOM 529 O GLY A 34 1.173 4.247 -2.076 1.00 0.00 O ATOM 0 H GLY A 34 -1.757 5.781 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.207 2.946 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.322 4.025 -1.912 1.00 0.00 H new ATOM 533 N HIS A 35 1.286 3.626 0.069 1.00 0.00 N ATOM 534 CA HIS A 35 2.737 3.539 0.064 1.00 0.00 C ATOM 535 C HIS A 35 3.167 2.104 -0.240 1.00 0.00 C ATOM 536 O HIS A 35 2.347 1.188 -0.185 1.00 0.00 O ATOM 537 CB HIS A 35 3.325 4.039 1.394 1.00 0.00 C ATOM 538 CG HIS A 35 2.917 3.254 2.606 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.815 2.571 3.391 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.707 3.074 3.184 1.00 0.00 C ATOM 541 CE1 HIS A 35 3.177 2.005 4.399 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.897 2.293 4.293 1.00 0.00 N ATOM 0 H HIS A 35 0.851 3.425 0.969 1.00 0.00 H new ATOM 0 HA HIS A 35 3.129 4.187 -0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.412 4.025 1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.028 5.078 1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.766 3.472 2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.628 1.408 5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.165 1.985 4.933 1.00 0.00 H new ATOM 551 N ALA A 36 4.445 1.910 -0.551 1.00 0.00 N ATOM 552 CA ALA A 36 4.949 0.615 -1.013 1.00 0.00 C ATOM 553 C ALA A 36 4.657 -0.511 -0.025 1.00 0.00 C ATOM 554 O ALA A 36 4.233 -1.595 -0.427 1.00 0.00 O ATOM 555 CB ALA A 36 6.440 0.699 -1.290 1.00 0.00 C ATOM 0 H ALA A 36 5.158 2.637 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 36 4.421 0.376 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.802 -0.270 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.625 1.448 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.965 0.980 -0.377 1.00 0.00 H new ATOM 561 N GLU A 37 4.868 -0.253 1.264 1.00 0.00 N ATOM 562 CA GLU A 37 4.610 -1.259 2.296 1.00 0.00 C ATOM 563 C GLU A 37 3.143 -1.691 2.301 1.00 0.00 C ATOM 564 O GLU A 37 2.818 -2.801 2.718 1.00 0.00 O ATOM 565 CB GLU A 37 4.993 -0.735 3.680 1.00 0.00 C ATOM 566 CG GLU A 37 6.486 -0.529 3.875 1.00 0.00 C ATOM 567 CD GLU A 37 7.274 -1.815 3.747 1.00 0.00 C ATOM 568 OE1 GLU A 37 6.973 -2.782 4.476 1.00 0.00 O ATOM 569 OE2 GLU A 37 8.211 -1.863 2.928 1.00 0.00 O ATOM 0 H GLU A 37 5.215 0.638 1.619 1.00 0.00 H new ATOM 0 HA GLU A 37 5.227 -2.126 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.481 0.212 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.632 -1.435 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.849 0.189 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.663 -0.095 4.859 1.00 0.00 H new ATOM 576 N TYR A 38 2.261 -0.819 1.825 1.00 0.00 N ATOM 577 CA TYR A 38 0.840 -1.135 1.780 1.00 0.00 C ATOM 578 C TYR A 38 0.565 -2.090 0.624 1.00 0.00 C ATOM 579 O TYR A 38 -0.237 -3.018 0.748 1.00 0.00 O ATOM 580 CB TYR A 38 -0.003 0.137 1.628 1.00 0.00 C ATOM 581 CG TYR A 38 -1.447 -0.047 2.045 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.367 -0.671 1.209 1.00 0.00 C ATOM 583 CD2 TYR A 38 -1.883 0.390 3.288 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.679 -0.850 1.602 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.190 0.211 3.690 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.083 -0.409 2.844 1.00 0.00 C ATOM 587 OH TYR A 38 -5.383 -0.594 3.247 1.00 0.00 O ATOM 0 H TYR A 38 2.503 0.105 1.468 1.00 0.00 H new ATOM 0 HA TYR A 38 0.561 -1.612 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.442 0.933 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.029 0.463 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.051 -1.021 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.186 0.879 3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.384 -1.332 0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.511 0.555 4.662 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.502 -0.227 4.148 1.00 0.00 H new ATOM 597 N LEU A 39 1.253 -1.867 -0.494 1.00 0.00 N ATOM 598 CA LEU A 39 1.154 -2.757 -1.643 1.00 0.00 C ATOM 599 C LEU A 39 1.639 -4.148 -1.277 1.00 0.00 C ATOM 600 O LEU A 39 1.012 -5.138 -1.637 1.00 0.00 O ATOM 601 CB LEU A 39 1.956 -2.213 -2.828 1.00 0.00 C ATOM 602 CG LEU A 39 1.199 -1.239 -3.727 1.00 0.00 C ATOM 603 CD1 LEU A 39 2.125 -0.647 -4.777 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.030 -1.942 -4.394 1.00 0.00 C ATOM 0 H LEU A 39 1.884 -1.077 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 39 0.106 -2.814 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.847 -1.714 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.296 -3.053 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 39 0.816 -0.427 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.566 0.044 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.938 -0.113 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.536 -1.447 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.502 -1.237 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.400 -2.771 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.648 -2.324 -3.631 1.00 0.00 H new ATOM 616 N VAL A 40 2.743 -4.210 -0.538 1.00 0.00 N ATOM 617 CA VAL A 40 3.276 -5.482 -0.066 1.00 0.00 C ATOM 618 C VAL A 40 2.206 -6.250 0.708 1.00 0.00 C ATOM 619 O VAL A 40 2.071 -7.463 0.562 1.00 0.00 O ATOM 620 CB VAL A 40 4.517 -5.281 0.834 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.066 -6.618 1.316 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.594 -4.496 0.099 1.00 0.00 C ATOM 0 H VAL A 40 3.285 -3.394 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 40 3.578 -6.055 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 40 4.207 -4.707 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.938 -6.447 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.300 -7.140 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.353 -7.225 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.458 -4.366 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.893 -5.040 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.203 -3.519 -0.184 1.00 0.00 H new ATOM 632 N GLY A 41 1.430 -5.523 1.505 1.00 0.00 N ATOM 633 CA GLY A 41 0.351 -6.135 2.259 1.00 0.00 C ATOM 634 C GLY A 41 -0.723 -6.722 1.361 1.00 0.00 C ATOM 635 O GLY A 41 -1.109 -7.877 1.523 1.00 0.00 O ATOM 0 H GLY A 41 1.530 -4.517 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.757 -6.921 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.097 -5.390 2.917 1.00 0.00 H new ATOM 639 N LYS A 42 -1.196 -5.935 0.402 1.00 0.00 N ATOM 640 CA LYS A 42 -2.230 -6.391 -0.523 1.00 0.00 C ATOM 641 C LYS A 42 -1.716 -7.500 -1.439 1.00 0.00 C ATOM 642 O LYS A 42 -2.458 -8.417 -1.792 1.00 0.00 O ATOM 643 CB LYS A 42 -2.770 -5.226 -1.354 1.00 0.00 C ATOM 644 CG LYS A 42 -3.881 -4.448 -0.661 1.00 0.00 C ATOM 645 CD LYS A 42 -5.116 -5.318 -0.459 1.00 0.00 C ATOM 646 CE LYS A 42 -6.230 -4.567 0.257 1.00 0.00 C ATOM 647 NZ LYS A 42 -7.433 -5.422 0.462 1.00 0.00 N ATOM 0 H LYS A 42 -0.881 -4.978 0.243 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.043 -6.800 0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.951 -4.545 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.144 -5.610 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.527 -4.084 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.142 -3.573 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.477 -5.666 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.846 -6.203 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.867 -4.213 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.505 -3.686 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.122 -4.916 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.864 -5.642 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.154 -6.306 0.934 1.00 0.00 H new ATOM 661 N LEU A 43 -0.448 -7.422 -1.814 1.00 0.00 N ATOM 662 CA LEU A 43 0.161 -8.447 -2.651 1.00 0.00 C ATOM 663 C LEU A 43 0.369 -9.733 -1.854 1.00 0.00 C ATOM 664 O LEU A 43 0.320 -10.830 -2.403 1.00 0.00 O ATOM 665 CB LEU A 43 1.485 -7.944 -3.234 1.00 0.00 C ATOM 666 CG LEU A 43 1.349 -6.739 -4.172 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.713 -6.161 -4.515 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.606 -7.137 -5.438 1.00 0.00 C ATOM 0 H LEU A 43 0.179 -6.661 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.513 -8.667 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.151 -7.676 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.961 -8.760 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 43 0.775 -5.969 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.589 -5.307 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.212 -5.838 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.317 -6.922 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.517 -6.272 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.157 -7.926 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.389 -7.499 -5.178 1.00 0.00 H new ATOM 680 N GLN A 44 0.586 -9.593 -0.553 1.00 0.00 N ATOM 681 CA GLN A 44 0.692 -10.743 0.339 1.00 0.00 C ATOM 682 C GLN A 44 -0.690 -11.333 0.601 1.00 0.00 C ATOM 683 O GLN A 44 -0.842 -12.532 0.819 1.00 0.00 O ATOM 684 CB GLN A 44 1.347 -10.323 1.659 1.00 0.00 C ATOM 685 CG GLN A 44 2.649 -11.046 1.954 1.00 0.00 C ATOM 686 CD GLN A 44 2.440 -12.477 2.411 1.00 0.00 C ATOM 687 OE1 GLN A 44 1.446 -12.798 3.064 1.00 0.00 O ATOM 688 NE2 GLN A 44 3.366 -13.349 2.056 1.00 0.00 N ATOM 0 H GLN A 44 0.693 -8.691 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 44 1.312 -11.503 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.536 -9.250 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.648 -10.506 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.271 -11.043 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.195 -10.500 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.175 -13.042 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.273 -14.329 2.323 1.00 0.00 H new ATOM 697 N GLU A 45 -1.693 -10.472 0.558 1.00 0.00 N ATOM 698 CA GLU A 45 -3.069 -10.868 0.808 1.00 0.00 C ATOM 699 C GLU A 45 -3.682 -11.566 -0.409 1.00 0.00 C ATOM 700 O GLU A 45 -4.190 -12.685 -0.308 1.00 0.00 O ATOM 701 CB GLU A 45 -3.883 -9.625 1.175 1.00 0.00 C ATOM 702 CG GLU A 45 -5.348 -9.896 1.457 1.00 0.00 C ATOM 703 CD GLU A 45 -6.094 -8.638 1.843 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.033 -8.249 3.027 1.00 0.00 O ATOM 705 OE2 GLU A 45 -6.739 -8.025 0.962 1.00 0.00 O ATOM 0 H GLU A 45 -1.577 -9.480 0.349 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.085 -11.581 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.436 -9.160 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.810 -8.904 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.812 -10.336 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.433 -10.628 2.260 1.00 0.00 H new ATOM 712 N ARG A 46 -3.628 -10.904 -1.557 1.00 0.00 N ATOM 713 CA ARG A 46 -4.280 -11.405 -2.762 1.00 0.00 C ATOM 714 C ARG A 46 -3.425 -12.458 -3.474 1.00 0.00 C ATOM 715 O ARG A 46 -3.955 -13.363 -4.121 1.00 0.00 O ATOM 716 CB ARG A 46 -4.592 -10.239 -3.708 1.00 0.00 C ATOM 717 CG ARG A 46 -5.372 -10.641 -4.950 1.00 0.00 C ATOM 718 CD ARG A 46 -6.790 -11.091 -4.621 1.00 0.00 C ATOM 719 NE ARG A 46 -7.685 -9.966 -4.345 1.00 0.00 N ATOM 720 CZ ARG A 46 -8.997 -10.094 -4.129 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.556 -11.296 -4.112 1.00 0.00 N ATOM 722 NH2 ARG A 46 -9.751 -9.020 -3.931 1.00 0.00 N ATOM 0 H ARG A 46 -3.139 -10.017 -1.680 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.211 -11.888 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.160 -9.485 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.656 -9.773 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.411 -9.798 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.847 -11.448 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.186 -11.671 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.766 -11.753 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.283 -9.029 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.984 -12.127 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.558 -11.390 -3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.329 -8.091 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.752 -9.123 -3.767 1.00 0.00 H new ATOM 736 N TYR A 47 -2.107 -12.346 -3.361 1.00 0.00 N ATOM 737 CA TYR A 47 -1.207 -13.295 -4.014 1.00 0.00 C ATOM 738 C TYR A 47 -0.483 -14.168 -2.996 1.00 0.00 C ATOM 739 O TYR A 47 -0.530 -15.392 -3.072 1.00 0.00 O ATOM 740 CB TYR A 47 -0.190 -12.564 -4.893 1.00 0.00 C ATOM 741 CG TYR A 47 -0.783 -11.975 -6.150 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.857 -12.729 -7.312 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.265 -10.673 -6.179 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.398 -12.207 -8.468 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.808 -10.140 -7.333 1.00 0.00 C ATOM 746 CZ TYR A 47 -1.872 -10.912 -8.474 1.00 0.00 C ATOM 747 OH TYR A 47 -2.423 -10.391 -9.625 1.00 0.00 O ATOM 0 H TYR A 47 -1.638 -11.614 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.818 -13.941 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.271 -11.766 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.604 -13.258 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.484 -13.743 -7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.215 -10.067 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.450 -12.809 -9.363 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.180 -9.126 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.111 -11.001 -9.964 1.00 0.00 H new ATOM 757 N GLY A 48 0.190 -13.532 -2.051 1.00 0.00 N ATOM 758 CA GLY A 48 0.926 -14.272 -1.045 1.00 0.00 C ATOM 759 C GLY A 48 2.399 -14.365 -1.378 1.00 0.00 C ATOM 760 O GLY A 48 3.037 -15.391 -1.136 1.00 0.00 O ATOM 0 H GLY A 48 0.241 -12.517 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.803 -13.788 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.510 -15.275 -0.956 1.00 0.00 H new ATOM 764 N TRP A 49 2.945 -13.291 -1.925 1.00 0.00 N ATOM 765 CA TRP A 49 4.341 -13.268 -2.335 1.00 0.00 C ATOM 766 C TRP A 49 5.253 -12.963 -1.163 1.00 0.00 C ATOM 767 O TRP A 49 4.805 -12.471 -0.126 1.00 0.00 O ATOM 768 CB TRP A 49 4.574 -12.221 -3.418 1.00 0.00 C ATOM 769 CG TRP A 49 3.940 -12.539 -4.731 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.678 -13.776 -5.246 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.515 -11.595 -5.713 1.00 0.00 C ATOM 772 NE1 TRP A 49 3.105 -13.654 -6.487 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.994 -12.323 -6.796 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.519 -10.199 -5.777 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.484 -11.704 -7.931 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.014 -9.586 -6.904 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.501 -10.337 -7.967 1.00 0.00 C ATOM 0 H TRP A 49 2.441 -12.421 -2.096 1.00 0.00 H new ATOM 0 HA TRP A 49 4.574 -14.258 -2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.192 -11.262 -3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.647 -12.102 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.890 -14.712 -4.750 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.810 -14.428 -7.083 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.910 -9.612 -4.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.089 -12.281 -8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.014 -8.508 -6.967 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.110 -9.826 -8.835 1.00 0.00 H new ATOM 788 N SER A 50 6.532 -13.246 -1.337 1.00 0.00 N ATOM 789 CA SER A 50 7.535 -12.881 -0.358 1.00 0.00 C ATOM 790 C SER A 50 7.645 -11.362 -0.280 1.00 0.00 C ATOM 791 O SER A 50 7.296 -10.659 -1.234 1.00 0.00 O ATOM 792 CB SER A 50 8.879 -13.504 -0.737 1.00 0.00 C ATOM 793 OG SER A 50 8.786 -14.919 -0.764 1.00 0.00 O ATOM 0 H SER A 50 6.900 -13.732 -2.155 1.00 0.00 H new ATOM 0 HA SER A 50 7.245 -13.259 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.193 -13.137 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.642 -13.198 -0.021 1.00 0.00 H new ATOM 0 HG SER A 50 9.655 -15.299 -1.010 1.00 0.00 H new ATOM 799 N LYS A 51 8.134 -10.863 0.846 1.00 0.00 N ATOM 800 CA LYS A 51 8.208 -9.429 1.082 1.00 0.00 C ATOM 801 C LYS A 51 9.095 -8.770 0.028 1.00 0.00 C ATOM 802 O LYS A 51 8.724 -7.761 -0.567 1.00 0.00 O ATOM 803 CB LYS A 51 8.739 -9.167 2.497 1.00 0.00 C ATOM 804 CG LYS A 51 8.260 -7.860 3.116 1.00 0.00 C ATOM 805 CD LYS A 51 9.061 -6.662 2.635 1.00 0.00 C ATOM 806 CE LYS A 51 8.529 -5.373 3.239 1.00 0.00 C ATOM 807 NZ LYS A 51 9.425 -4.220 2.982 1.00 0.00 N ATOM 0 H LYS A 51 8.487 -11.434 1.614 1.00 0.00 H new ATOM 0 HA LYS A 51 7.212 -8.993 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.440 -9.992 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.829 -9.164 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.208 -7.711 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.330 -7.928 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.109 -6.789 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.017 -6.604 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.542 -5.162 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.406 -5.502 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.864 -3.345 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.129 -4.150 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.912 -4.355 2.073 1.00 0.00 H new ATOM 821 N GLU A 52 10.249 -9.376 -0.219 1.00 0.00 N ATOM 822 CA GLU A 52 11.193 -8.880 -1.218 1.00 0.00 C ATOM 823 C GLU A 52 10.599 -8.976 -2.628 1.00 0.00 C ATOM 824 O GLU A 52 10.787 -8.082 -3.455 1.00 0.00 O ATOM 825 CB GLU A 52 12.496 -9.680 -1.127 1.00 0.00 C ATOM 826 CG GLU A 52 13.567 -9.245 -2.114 1.00 0.00 C ATOM 827 CD GLU A 52 14.843 -10.045 -1.959 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.827 -11.256 -2.256 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.859 -9.471 -1.512 1.00 0.00 O ATOM 0 H GLU A 52 10.558 -10.220 0.263 1.00 0.00 H new ATOM 0 HA GLU A 52 11.401 -7.829 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.893 -9.592 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.274 -10.734 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.190 -9.358 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.784 -8.186 -1.970 1.00 0.00 H new ATOM 836 N ARG A 53 9.879 -10.065 -2.884 1.00 0.00 N ATOM 837 CA ARG A 53 9.198 -10.275 -4.161 1.00 0.00 C ATOM 838 C ARG A 53 8.235 -9.127 -4.449 1.00 0.00 C ATOM 839 O ARG A 53 8.251 -8.540 -5.535 1.00 0.00 O ATOM 840 CB ARG A 53 8.435 -11.602 -4.123 1.00 0.00 C ATOM 841 CG ARG A 53 7.554 -11.877 -5.337 1.00 0.00 C ATOM 842 CD ARG A 53 8.361 -12.250 -6.568 1.00 0.00 C ATOM 843 NE ARG A 53 8.734 -11.088 -7.378 1.00 0.00 N ATOM 844 CZ ARG A 53 9.812 -11.045 -8.159 1.00 0.00 C ATOM 845 NH1 ARG A 53 10.718 -12.017 -8.095 1.00 0.00 N ATOM 846 NH2 ARG A 53 9.999 -10.019 -8.979 1.00 0.00 N ATOM 0 H ARG A 53 9.751 -10.825 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 53 9.942 -10.308 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.155 -12.414 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.811 -11.619 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.860 -12.684 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.954 -10.993 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.264 -12.776 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.782 -12.942 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 53 8.134 -10.264 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.587 -12.795 -7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.544 -11.985 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.317 -9.262 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.825 -9.988 -9.576 1.00 0.00 H new ATOM 860 N ALA A 54 7.407 -8.809 -3.462 1.00 0.00 N ATOM 861 CA ALA A 54 6.449 -7.721 -3.585 1.00 0.00 C ATOM 862 C ALA A 54 7.165 -6.390 -3.786 1.00 0.00 C ATOM 863 O ALA A 54 6.744 -5.571 -4.603 1.00 0.00 O ATOM 864 CB ALA A 54 5.555 -7.666 -2.356 1.00 0.00 C ATOM 0 H ALA A 54 7.381 -9.292 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 54 5.827 -7.907 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.843 -6.848 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.014 -8.607 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.166 -7.504 -1.468 1.00 0.00 H new ATOM 870 N GLU A 55 8.257 -6.195 -3.052 1.00 0.00 N ATOM 871 CA GLU A 55 9.063 -4.980 -3.157 1.00 0.00 C ATOM 872 C GLU A 55 9.487 -4.713 -4.597 1.00 0.00 C ATOM 873 O GLU A 55 9.364 -3.589 -5.088 1.00 0.00 O ATOM 874 CB GLU A 55 10.304 -5.097 -2.271 1.00 0.00 C ATOM 875 CG GLU A 55 9.999 -5.040 -0.787 1.00 0.00 C ATOM 876 CD GLU A 55 9.808 -3.628 -0.280 1.00 0.00 C ATOM 877 OE1 GLU A 55 8.992 -2.882 -0.856 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.492 -3.257 0.696 1.00 0.00 O ATOM 0 H GLU A 55 8.607 -6.869 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 55 8.449 -4.144 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.811 -6.036 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.996 -4.293 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.098 -5.619 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.812 -5.512 -0.236 1.00 0.00 H new ATOM 885 N GLN A 56 9.973 -5.747 -5.274 1.00 0.00 N ATOM 886 CA GLN A 56 10.451 -5.602 -6.642 1.00 0.00 C ATOM 887 C GLN A 56 9.302 -5.344 -7.609 1.00 0.00 C ATOM 888 O GLN A 56 9.477 -4.659 -8.618 1.00 0.00 O ATOM 889 CB GLN A 56 11.251 -6.831 -7.076 1.00 0.00 C ATOM 890 CG GLN A 56 12.553 -7.000 -6.308 1.00 0.00 C ATOM 891 CD GLN A 56 13.409 -5.745 -6.335 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.383 -4.975 -7.298 1.00 0.00 O ATOM 893 NE2 GLN A 56 14.170 -5.530 -5.274 1.00 0.00 N ATOM 0 H GLN A 56 10.046 -6.692 -4.898 1.00 0.00 H new ATOM 0 HA GLN A 56 11.111 -4.735 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.638 -7.722 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.472 -6.755 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.330 -7.262 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.117 -7.830 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.162 -6.192 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.764 -4.702 -5.232 1.00 0.00 H new ATOM 902 N GLU A 57 8.128 -5.880 -7.302 1.00 0.00 N ATOM 903 CA GLU A 57 6.956 -5.633 -8.130 1.00 0.00 C ATOM 904 C GLU A 57 6.473 -4.199 -7.949 1.00 0.00 C ATOM 905 O GLU A 57 6.117 -3.525 -8.917 1.00 0.00 O ATOM 906 CB GLU A 57 5.838 -6.624 -7.804 1.00 0.00 C ATOM 907 CG GLU A 57 6.220 -8.066 -8.085 1.00 0.00 C ATOM 908 CD GLU A 57 6.856 -8.238 -9.448 1.00 0.00 C ATOM 909 OE1 GLU A 57 6.120 -8.325 -10.453 1.00 0.00 O ATOM 910 OE2 GLU A 57 8.102 -8.277 -9.519 1.00 0.00 O ATOM 0 H GLU A 57 7.963 -6.482 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 57 7.238 -5.776 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.567 -6.524 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.953 -6.369 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.912 -8.412 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.332 -8.694 -8.019 1.00 0.00 H new ATOM 917 N VAL A 58 6.484 -3.733 -6.707 1.00 0.00 N ATOM 918 CA VAL A 58 6.142 -2.350 -6.405 1.00 0.00 C ATOM 919 C VAL A 58 7.157 -1.409 -7.046 1.00 0.00 C ATOM 920 O VAL A 58 6.802 -0.346 -7.564 1.00 0.00 O ATOM 921 CB VAL A 58 6.099 -2.097 -4.883 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.790 -0.637 -4.581 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.078 -3.004 -4.219 1.00 0.00 C ATOM 0 H VAL A 58 6.727 -4.294 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 58 5.150 -2.158 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 58 7.084 -2.327 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.766 -0.486 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.562 -0.004 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.821 -0.375 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.063 -2.811 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.091 -2.808 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.347 -4.045 -4.396 1.00 0.00 H new ATOM 933 N ARG A 59 8.423 -1.813 -7.014 1.00 0.00 N ATOM 934 CA ARG A 59 9.488 -1.029 -7.616 1.00 0.00 C ATOM 935 C ARG A 59 9.260 -0.890 -9.115 1.00 0.00 C ATOM 936 O ARG A 59 9.271 0.211 -9.641 1.00 0.00 O ATOM 937 CB ARG A 59 10.858 -1.665 -7.365 1.00 0.00 C ATOM 938 CG ARG A 59 12.012 -0.781 -7.811 1.00 0.00 C ATOM 939 CD ARG A 59 13.337 -1.528 -7.823 1.00 0.00 C ATOM 940 NE ARG A 59 13.349 -2.618 -8.804 1.00 0.00 N ATOM 941 CZ ARG A 59 13.480 -2.438 -10.123 1.00 0.00 C ATOM 942 NH1 ARG A 59 13.605 -1.214 -10.628 1.00 0.00 N ATOM 943 NH2 ARG A 59 13.496 -3.485 -10.938 1.00 0.00 N ATOM 0 H ARG A 59 8.734 -2.680 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 59 9.474 -0.043 -7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.963 -1.882 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.912 -2.618 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.806 -0.394 -8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.087 0.078 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.144 -0.830 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.533 -1.933 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 59 13.251 -3.573 -8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.601 -0.404 -10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.704 -1.085 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.408 -4.428 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.596 -3.347 -11.944 1.00 0.00 H new ATOM 957 N ASP A 60 9.033 -2.017 -9.790 1.00 0.00 N ATOM 958 CA ASP A 60 8.824 -2.020 -11.241 1.00 0.00 C ATOM 959 C ASP A 60 7.630 -1.151 -11.618 1.00 0.00 C ATOM 960 O ASP A 60 7.642 -0.463 -12.643 1.00 0.00 O ATOM 961 CB ASP A 60 8.603 -3.449 -11.745 1.00 0.00 C ATOM 962 CG ASP A 60 8.510 -3.533 -13.259 1.00 0.00 C ATOM 963 OD1 ASP A 60 7.437 -3.232 -13.819 1.00 0.00 O ATOM 964 OD2 ASP A 60 9.512 -3.918 -13.900 1.00 0.00 O ATOM 0 H ASP A 60 8.989 -2.940 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 60 9.717 -1.609 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.421 -4.081 -11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.687 -3.846 -11.307 1.00 0.00 H new ATOM 969 N PHE A 61 6.604 -1.182 -10.779 1.00 0.00 N ATOM 970 CA PHE A 61 5.403 -0.390 -11.000 1.00 0.00 C ATOM 971 C PHE A 61 5.708 1.107 -10.967 1.00 0.00 C ATOM 972 O PHE A 61 5.313 1.845 -11.866 1.00 0.00 O ATOM 973 CB PHE A 61 4.339 -0.738 -9.953 1.00 0.00 C ATOM 974 CG PHE A 61 3.124 0.145 -10.008 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.324 0.173 -11.137 1.00 0.00 C ATOM 976 CD2 PHE A 61 2.784 0.948 -8.932 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.209 0.983 -11.193 1.00 0.00 C ATOM 978 CE2 PHE A 61 1.668 1.761 -8.981 1.00 0.00 C ATOM 979 CZ PHE A 61 0.879 1.779 -10.114 1.00 0.00 C ATOM 0 H PHE A 61 6.580 -1.752 -9.933 1.00 0.00 H new ATOM 0 HA PHE A 61 5.020 -0.631 -11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.031 -1.774 -10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.783 -0.668 -8.960 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.576 -0.447 -11.985 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.399 0.939 -8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.594 0.995 -12.081 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.413 2.381 -8.135 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.006 2.414 -10.156 1.00 0.00 H new ATOM 989 N SER A 62 6.428 1.542 -9.945 1.00 0.00 N ATOM 990 CA SER A 62 6.681 2.963 -9.745 1.00 0.00 C ATOM 991 C SER A 62 7.917 3.434 -10.512 1.00 0.00 C ATOM 992 O SER A 62 8.114 4.633 -10.717 1.00 0.00 O ATOM 993 CB SER A 62 6.826 3.251 -8.249 1.00 0.00 C ATOM 994 OG SER A 62 7.659 2.292 -7.619 1.00 0.00 O ATOM 0 H SER A 62 6.847 0.934 -9.242 1.00 0.00 H new ATOM 0 HA SER A 62 5.832 3.521 -10.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.243 4.248 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.843 3.247 -7.779 1.00 0.00 H new ATOM 0 HG SER A 62 7.179 1.441 -7.542 1.00 0.00 H new ATOM 1000 N ASP A 63 8.748 2.489 -10.928 1.00 0.00 N ATOM 1001 CA ASP A 63 9.926 2.806 -11.722 1.00 0.00 C ATOM 1002 C ASP A 63 9.530 3.014 -13.175 1.00 0.00 C ATOM 1003 O ASP A 63 10.023 3.924 -13.845 1.00 0.00 O ATOM 1004 CB ASP A 63 10.963 1.687 -11.617 1.00 0.00 C ATOM 1005 CG ASP A 63 12.256 2.014 -12.331 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.382 1.689 -13.528 1.00 0.00 O ATOM 1007 OD2 ASP A 63 13.166 2.578 -11.690 1.00 0.00 O ATOM 0 H ASP A 63 8.628 1.496 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 63 10.369 3.724 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.174 1.491 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.545 0.771 -12.034 1.00 0.00 H new ATOM 1012 N ARG A 64 8.617 2.176 -13.649 1.00 0.00 N ATOM 1013 CA ARG A 64 8.118 2.286 -15.007 1.00 0.00 C ATOM 1014 C ARG A 64 6.807 3.063 -15.017 1.00 0.00 C ATOM 1015 O ARG A 64 5.734 2.507 -15.268 1.00 0.00 O ATOM 1016 CB ARG A 64 7.914 0.907 -15.647 1.00 0.00 C ATOM 1017 CG ARG A 64 7.524 0.995 -17.113 1.00 0.00 C ATOM 1018 CD ARG A 64 6.923 -0.298 -17.635 1.00 0.00 C ATOM 1019 NE ARG A 64 6.429 -0.128 -19.001 1.00 0.00 N ATOM 1020 CZ ARG A 64 5.292 -0.643 -19.468 1.00 0.00 C ATOM 1021 NH1 ARG A 64 4.540 -1.425 -18.699 1.00 0.00 N ATOM 1022 NH2 ARG A 64 4.910 -0.370 -20.710 1.00 0.00 N ATOM 0 H ARG A 64 8.209 1.413 -13.110 1.00 0.00 H new ATOM 0 HA ARG A 64 8.864 2.820 -15.595 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.833 0.328 -15.553 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.140 0.368 -15.101 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.807 1.805 -17.247 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.404 1.248 -17.705 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.673 -1.089 -17.611 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.107 -0.613 -16.985 1.00 0.00 H new ATOM 0 HE ARG A 64 6.996 0.425 -19.643 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.832 -1.634 -17.744 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.671 -1.815 -19.064 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.486 0.231 -21.300 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.041 -0.761 -21.074 1.00 0.00 H new ATOM 1036 N LEU A 65 6.896 4.336 -14.690 1.00 0.00 N ATOM 1037 CA LEU A 65 5.751 5.226 -14.777 1.00 0.00 C ATOM 1038 C LEU A 65 5.864 6.077 -16.034 1.00 0.00 C ATOM 1039 O LEU A 65 5.392 5.629 -17.100 1.00 0.00 O ATOM 1040 CB LEU A 65 5.653 6.117 -13.531 1.00 0.00 C ATOM 1041 CG LEU A 65 5.294 5.394 -12.233 1.00 0.00 C ATOM 1042 CD1 LEU A 65 5.288 6.370 -11.066 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.942 4.709 -12.357 1.00 0.00 C ATOM 1044 OXT LEU A 65 6.451 7.174 -15.961 1.00 0.00 O ATOM 0 H LEU A 65 7.752 4.781 -14.360 1.00 0.00 H new ATOM 0 HA LEU A 65 4.842 4.626 -14.829 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.608 6.624 -13.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.906 6.889 -13.715 1.00 0.00 H new ATOM 0 HG LEU A 65 6.050 4.631 -12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.031 5.839 -10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.276 6.818 -10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.553 7.153 -11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.705 4.200 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.175 5.454 -12.569 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.976 3.981 -13.168 1.00 0.00 H new TER 1056 LEU A 65