USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 790 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 41 THR OG1 : rot -6:sc= 1.5! USER MOD Set 1.2: A 43 ASN : amide:sc= -0.291 K(o=1.2,f=-0.47) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0805 (180deg=-0.319) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 33:sc= 0.448 USER MOD Single : A 5 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.9!) USER MOD Single : A 7 GLN : amide:sc= -3.6! C(o=-3.6!,f=-2.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc=-0.00662 (180deg=-0.185) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.188) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -130:sc= -3.93! USER MOD Single : A 25 HIS : no HE2:sc= -8.25! C(o=-8.3!,f=-10!) USER MOD Single : A 33 MET CE :methyl -105:sc= -0.0385 (180deg=-1.47) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0949 USER MOD Single : A 46 GLN : amide:sc= -3.34! C(o=-3.3!,f=-6.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 116:sc= 0.456 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -43:sc= -1.33 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 77 ASN : amide:sc= -4.22! K(o=-4.2!,f=-0.37) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -10.6! C(o=-11!,f=-6.8!) USER MOD Single : A 92 ASN : amide:sc= -5.18! C(o=-5.2!,f=-4.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00148 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.067 20.256 2.961 1.00 0.00 N ATOM 2 CA MET A 1 9.403 19.792 3.294 1.00 0.00 C ATOM 3 C MET A 1 9.358 18.740 4.405 1.00 0.00 C ATOM 4 O MET A 1 10.300 17.966 4.568 1.00 0.00 O ATOM 5 CB MET A 1 10.256 20.978 3.748 1.00 0.00 C ATOM 6 CG MET A 1 11.679 20.872 3.196 1.00 0.00 C ATOM 7 SD MET A 1 12.746 22.035 4.031 1.00 0.00 S ATOM 8 CE MET A 1 14.267 21.100 4.051 1.00 0.00 C ATOM 0 H1 MET A 1 8.098 20.794 2.071 1.00 0.00 H new ATOM 0 H2 MET A 1 7.433 19.439 2.850 1.00 0.00 H new ATOM 0 H3 MET A 1 7.712 20.868 3.723 1.00 0.00 H new ATOM 0 HA MET A 1 9.841 19.336 2.406 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.800 21.909 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.286 21.013 4.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.056 19.858 3.331 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.678 21.071 2.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.046 21.684 4.541 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.114 20.169 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.570 20.876 3.028 1.00 0.00 H new ATOM 18 N SER A 2 8.255 18.747 5.138 1.00 0.00 N ATOM 19 CA SER A 2 8.076 17.803 6.228 1.00 0.00 C ATOM 20 C SER A 2 6.699 17.142 6.127 1.00 0.00 C ATOM 21 O SER A 2 5.679 17.788 6.357 1.00 0.00 O ATOM 22 CB SER A 2 8.235 18.493 7.585 1.00 0.00 C ATOM 23 OG SER A 2 9.604 18.670 7.936 1.00 0.00 O ATOM 0 H SER A 2 7.476 19.391 4.999 1.00 0.00 H new ATOM 0 HA SER A 2 8.847 17.037 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.739 19.463 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.737 17.901 8.353 1.00 0.00 H new ATOM 0 HG SER A 2 9.663 19.115 8.807 1.00 0.00 H new ATOM 29 N ARG A 3 6.717 15.863 5.782 1.00 0.00 N ATOM 30 CA ARG A 3 5.483 15.108 5.646 1.00 0.00 C ATOM 31 C ARG A 3 4.943 14.723 7.024 1.00 0.00 C ATOM 32 O ARG A 3 5.705 14.326 7.906 1.00 0.00 O ATOM 33 CB ARG A 3 5.701 13.840 4.820 1.00 0.00 C ATOM 34 CG ARG A 3 6.760 12.941 5.462 1.00 0.00 C ATOM 35 CD ARG A 3 8.006 12.843 4.580 1.00 0.00 C ATOM 36 NE ARG A 3 8.829 11.685 4.994 1.00 0.00 N ATOM 37 CZ ARG A 3 9.668 11.696 6.040 1.00 0.00 C ATOM 38 NH1 ARG A 3 9.798 12.803 6.783 1.00 0.00 N ATOM 39 NH2 ARG A 3 10.375 10.599 6.342 1.00 0.00 N ATOM 0 H ARG A 3 7.566 15.331 5.593 1.00 0.00 H new ATOM 0 HA ARG A 3 4.761 15.743 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.762 13.294 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.011 14.109 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.033 13.337 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.347 11.946 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.715 12.738 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.589 13.760 4.657 1.00 0.00 H new ATOM 0 HE ARG A 3 8.753 10.825 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.259 13.638 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.436 12.811 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.275 9.756 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.013 10.607 7.137 1.00 0.00 H new ATOM 53 N SER A 4 3.631 14.854 7.169 1.00 0.00 N ATOM 54 CA SER A 4 2.981 14.524 8.427 1.00 0.00 C ATOM 55 C SER A 4 2.147 13.251 8.266 1.00 0.00 C ATOM 56 O SER A 4 1.193 13.224 7.489 1.00 0.00 O ATOM 57 CB SER A 4 2.101 15.679 8.909 1.00 0.00 C ATOM 58 OG SER A 4 1.093 16.016 7.959 1.00 0.00 O ATOM 0 H SER A 4 3.002 15.184 6.437 1.00 0.00 H new ATOM 0 HA SER A 4 3.752 14.352 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.632 15.407 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.723 16.553 9.102 1.00 0.00 H new ATOM 0 HG SER A 4 0.810 15.208 7.482 1.00 0.00 H new ATOM 64 N ASN A 5 2.537 12.229 9.013 1.00 0.00 N ATOM 65 CA ASN A 5 1.838 10.957 8.964 1.00 0.00 C ATOM 66 C ASN A 5 1.033 10.771 10.252 1.00 0.00 C ATOM 67 O ASN A 5 0.989 11.667 11.094 1.00 0.00 O ATOM 68 CB ASN A 5 2.821 9.791 8.850 1.00 0.00 C ATOM 69 CG ASN A 5 3.632 9.630 10.137 1.00 0.00 C ATOM 70 OD1 ASN A 5 4.347 10.519 10.567 1.00 0.00 O ATOM 71 ND2 ASN A 5 3.480 8.447 10.727 1.00 0.00 N ATOM 0 H ASN A 5 3.329 12.256 9.656 1.00 0.00 H new ATOM 0 HA ASN A 5 1.186 10.966 8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.276 8.870 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.495 9.960 8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.978 8.241 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.865 7.746 10.313 1.00 0.00 H new ATOM 78 N ARG A 6 0.415 9.606 10.363 1.00 0.00 N ATOM 79 CA ARG A 6 -0.385 9.292 11.535 1.00 0.00 C ATOM 80 C ARG A 6 0.341 8.275 12.417 1.00 0.00 C ATOM 81 O ARG A 6 1.456 7.862 12.106 1.00 0.00 O ATOM 82 CB ARG A 6 -1.750 8.728 11.135 1.00 0.00 C ATOM 83 CG ARG A 6 -1.618 7.297 10.606 1.00 0.00 C ATOM 84 CD ARG A 6 -1.880 7.243 9.100 1.00 0.00 C ATOM 85 NE ARG A 6 -0.904 6.342 8.450 1.00 0.00 N ATOM 86 CZ ARG A 6 0.140 6.763 7.722 1.00 0.00 C ATOM 87 NH1 ARG A 6 0.349 8.075 7.548 1.00 0.00 N ATOM 88 NH2 ARG A 6 0.975 5.872 7.169 1.00 0.00 N ATOM 0 H ARG A 6 0.451 8.867 9.661 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.536 10.217 12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.419 8.741 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.200 9.362 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.619 6.918 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.323 6.647 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.894 6.891 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.805 8.243 8.673 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.033 5.337 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.286 8.753 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.143 8.396 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.816 4.873 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.769 6.193 6.615 1.00 0.00 H new ATOM 102 N GLN A 7 -0.323 7.899 13.502 1.00 0.00 N ATOM 103 CA GLN A 7 0.246 6.938 14.430 1.00 0.00 C ATOM 104 C GLN A 7 -0.543 5.628 14.388 1.00 0.00 C ATOM 105 O GLN A 7 0.043 4.546 14.395 1.00 0.00 O ATOM 106 CB GLN A 7 0.286 7.507 15.851 1.00 0.00 C ATOM 107 CG GLN A 7 -1.000 8.268 16.174 1.00 0.00 C ATOM 108 CD GLN A 7 -0.991 9.658 15.532 1.00 0.00 C ATOM 109 OE1 GLN A 7 -0.056 10.428 15.674 1.00 0.00 O ATOM 110 NE2 GLN A 7 -2.081 9.932 14.821 1.00 0.00 N ATOM 0 H GLN A 7 -1.249 8.243 13.758 1.00 0.00 H new ATOM 0 HA GLN A 7 1.272 6.732 14.126 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.423 6.697 16.567 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.143 8.173 15.956 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.861 7.703 15.815 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.109 8.363 17.254 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.827 9.240 14.744 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.171 10.834 14.353 1.00 0.00 H new ATOM 119 N LYS A 8 -1.859 5.767 14.344 1.00 0.00 N ATOM 120 CA LYS A 8 -2.735 4.609 14.299 1.00 0.00 C ATOM 121 C LYS A 8 -3.897 4.888 13.346 1.00 0.00 C ATOM 122 O LYS A 8 -4.348 3.995 12.632 1.00 0.00 O ATOM 123 CB LYS A 8 -3.176 4.217 15.710 1.00 0.00 C ATOM 124 CG LYS A 8 -4.073 5.294 16.324 1.00 0.00 C ATOM 125 CD LYS A 8 -3.505 5.788 17.657 1.00 0.00 C ATOM 126 CE LYS A 8 -4.179 5.081 18.834 1.00 0.00 C ATOM 127 NZ LYS A 8 -3.518 5.448 20.106 1.00 0.00 N ATOM 0 H LYS A 8 -2.341 6.666 14.339 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.202 3.744 13.904 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.712 3.268 15.677 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.299 4.066 16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.167 6.131 15.632 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.075 4.893 16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.430 5.609 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.651 6.865 17.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.234 5.353 18.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.133 4.001 18.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.988 4.960 20.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.517 5.167 20.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.584 6.476 20.247 1.00 0.00 H new ATOM 141 N GLU A 9 -4.350 6.134 13.366 1.00 0.00 N ATOM 142 CA GLU A 9 -5.451 6.544 12.511 1.00 0.00 C ATOM 143 C GLU A 9 -5.055 6.421 11.040 1.00 0.00 C ATOM 144 O GLU A 9 -4.322 7.262 10.519 1.00 0.00 O ATOM 145 CB GLU A 9 -5.902 7.968 12.843 1.00 0.00 C ATOM 146 CG GLU A 9 -4.734 8.950 12.738 1.00 0.00 C ATOM 147 CD GLU A 9 -5.124 10.326 13.282 1.00 0.00 C ATOM 148 OE1 GLU A 9 -5.348 10.409 14.508 1.00 0.00 O ATOM 149 OE2 GLU A 9 -5.191 11.264 12.458 1.00 0.00 O ATOM 0 H GLU A 9 -3.974 6.872 13.961 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.295 5.880 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.698 8.270 12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.317 7.997 13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.879 8.564 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.423 9.041 11.697 1.00 0.00 H new ATOM 156 N TYR A 10 -5.557 5.371 10.408 1.00 0.00 N ATOM 157 CA TYR A 10 -5.264 5.129 9.006 1.00 0.00 C ATOM 158 C TYR A 10 -6.537 5.201 8.160 1.00 0.00 C ATOM 159 O TYR A 10 -7.501 4.482 8.419 1.00 0.00 O ATOM 160 CB TYR A 10 -4.697 3.709 8.933 1.00 0.00 C ATOM 161 CG TYR A 10 -5.765 2.615 8.892 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.430 2.255 10.049 1.00 0.00 C ATOM 163 CD2 TYR A 10 -6.065 1.986 7.701 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.434 1.225 10.011 1.00 0.00 C ATOM 165 CE2 TYR A 10 -7.070 0.955 7.664 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.704 0.625 8.821 1.00 0.00 C ATOM 167 OH TYR A 10 -8.654 -0.348 8.787 1.00 0.00 O ATOM 0 H TYR A 10 -6.166 4.677 10.842 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.569 5.877 8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.070 3.624 8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.052 3.541 9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.196 2.747 10.982 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.546 2.267 6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.961 0.935 10.908 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.315 0.455 6.738 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.742 -0.687 7.872 1.00 0.00 H new ATOM 177 N LYS A 11 -6.500 6.077 7.166 1.00 0.00 N ATOM 178 CA LYS A 11 -7.638 6.253 6.280 1.00 0.00 C ATOM 179 C LYS A 11 -7.140 6.420 4.843 1.00 0.00 C ATOM 180 O LYS A 11 -5.936 6.391 4.593 1.00 0.00 O ATOM 181 CB LYS A 11 -8.519 7.406 6.764 1.00 0.00 C ATOM 182 CG LYS A 11 -9.746 6.882 7.512 1.00 0.00 C ATOM 183 CD LYS A 11 -10.736 6.223 6.550 1.00 0.00 C ATOM 184 CE LYS A 11 -11.463 7.274 5.708 1.00 0.00 C ATOM 185 NZ LYS A 11 -12.433 8.022 6.537 1.00 0.00 N ATOM 0 H LYS A 11 -5.699 6.673 6.955 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.274 5.368 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.942 8.060 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.837 8.007 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.435 6.162 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.235 7.703 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.207 5.530 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.462 5.638 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.740 7.964 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.981 6.790 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.099 8.529 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.958 7.358 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.925 8.706 7.134 1.00 0.00 H new ATOM 199 N CYS A 12 -8.090 6.591 3.937 1.00 0.00 N ATOM 200 CA CYS A 12 -7.763 6.763 2.532 1.00 0.00 C ATOM 201 C CYS A 12 -6.545 7.683 2.432 1.00 0.00 C ATOM 202 O CYS A 12 -6.380 8.591 3.245 1.00 0.00 O ATOM 203 CB CYS A 12 -8.954 7.303 1.736 1.00 0.00 C ATOM 204 SG CYS A 12 -8.741 6.924 -0.042 1.00 0.00 S ATOM 0 H CYS A 12 -9.088 6.614 4.148 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.524 5.796 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.879 6.858 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.039 8.380 1.879 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.758 7.384 -0.709 1.00 0.00 H new ATOM 210 N GLY A 13 -5.724 7.416 1.426 1.00 0.00 N ATOM 211 CA GLY A 13 -4.525 8.209 1.209 1.00 0.00 C ATOM 212 C GLY A 13 -3.361 7.686 2.052 1.00 0.00 C ATOM 213 O GLY A 13 -2.255 8.219 1.989 1.00 0.00 O ATOM 0 H GLY A 13 -5.865 6.663 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.254 8.184 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.723 9.251 1.462 1.00 0.00 H new ATOM 217 N ASP A 14 -3.651 6.648 2.824 1.00 0.00 N ATOM 218 CA ASP A 14 -2.641 6.048 3.680 1.00 0.00 C ATOM 219 C ASP A 14 -1.886 4.974 2.894 1.00 0.00 C ATOM 220 O ASP A 14 -2.501 4.121 2.254 1.00 0.00 O ATOM 221 CB ASP A 14 -3.280 5.379 4.898 1.00 0.00 C ATOM 222 CG ASP A 14 -2.429 4.295 5.562 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.188 4.431 5.500 1.00 0.00 O ATOM 224 OD2 ASP A 14 -3.036 3.354 6.117 1.00 0.00 O ATOM 0 H ASP A 14 -4.570 6.208 2.874 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.968 6.838 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.506 6.147 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.230 4.939 4.595 1.00 0.00 H new ATOM 229 N LEU A 15 -0.566 5.051 2.967 1.00 0.00 N ATOM 230 CA LEU A 15 0.280 4.096 2.270 1.00 0.00 C ATOM 231 C LEU A 15 0.782 3.046 3.262 1.00 0.00 C ATOM 232 O LEU A 15 1.196 3.383 4.371 1.00 0.00 O ATOM 233 CB LEU A 15 1.401 4.820 1.520 1.00 0.00 C ATOM 234 CG LEU A 15 2.576 3.952 1.071 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.595 3.781 2.199 1.00 0.00 C ATOM 236 CD2 LEU A 15 2.089 2.605 0.530 1.00 0.00 C ATOM 0 H LEU A 15 -0.061 5.760 3.498 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.292 3.567 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.972 5.299 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.785 5.614 2.160 1.00 0.00 H new ATOM 0 HG LEU A 15 3.084 4.463 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.420 3.159 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.976 4.758 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.115 3.304 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.945 2.007 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.542 2.076 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.432 2.772 -0.324 1.00 0.00 H new ATOM 248 N VAL A 16 0.728 1.796 2.829 1.00 0.00 N ATOM 249 CA VAL A 16 1.173 0.694 3.666 1.00 0.00 C ATOM 250 C VAL A 16 1.541 -0.498 2.780 1.00 0.00 C ATOM 251 O VAL A 16 1.413 -0.431 1.559 1.00 0.00 O ATOM 252 CB VAL A 16 0.100 0.360 4.704 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.464 0.931 6.075 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.275 0.855 4.250 1.00 0.00 C ATOM 0 H VAL A 16 0.383 1.521 1.909 1.00 0.00 H new ATOM 0 HA VAL A 16 2.068 0.973 4.222 1.00 0.00 H new ATOM 0 HB VAL A 16 0.052 -0.725 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.316 0.678 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.412 0.507 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.556 2.015 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.020 0.605 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.246 1.936 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.541 0.377 3.307 1.00 0.00 H new ATOM 264 N PHE A 17 1.993 -1.561 3.430 1.00 0.00 N ATOM 265 CA PHE A 17 2.380 -2.766 2.717 1.00 0.00 C ATOM 266 C PHE A 17 1.202 -3.736 2.600 1.00 0.00 C ATOM 267 O PHE A 17 0.682 -4.211 3.607 1.00 0.00 O ATOM 268 CB PHE A 17 3.492 -3.429 3.530 1.00 0.00 C ATOM 269 CG PHE A 17 4.885 -2.853 3.267 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.645 -3.348 2.254 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.363 -1.844 4.045 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.938 -2.812 2.009 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.655 -1.309 3.800 1.00 0.00 C ATOM 274 CZ PHE A 17 7.415 -1.804 2.787 1.00 0.00 C ATOM 0 H PHE A 17 2.100 -1.612 4.443 1.00 0.00 H new ATOM 0 HA PHE A 17 2.709 -2.513 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.262 -3.327 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.504 -4.496 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.266 -4.148 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.759 -1.450 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.542 -3.205 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.034 -0.509 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.398 -1.397 2.600 1.00 0.00 H new ATOM 284 N ALA A 18 0.818 -4.001 1.359 1.00 0.00 N ATOM 285 CA ALA A 18 -0.289 -4.906 1.097 1.00 0.00 C ATOM 286 C ALA A 18 0.246 -6.335 0.977 1.00 0.00 C ATOM 287 O ALA A 18 1.293 -6.561 0.372 1.00 0.00 O ATOM 288 CB ALA A 18 -1.031 -4.453 -0.161 1.00 0.00 C ATOM 0 H ALA A 18 1.253 -3.606 0.525 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.004 -4.889 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.861 -5.131 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.414 -3.443 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.347 -4.461 -1.010 1.00 0.00 H new ATOM 294 N LYS A 19 -0.500 -7.262 1.562 1.00 0.00 N ATOM 295 CA LYS A 19 -0.115 -8.662 1.527 1.00 0.00 C ATOM 296 C LYS A 19 -1.323 -9.510 1.124 1.00 0.00 C ATOM 297 O LYS A 19 -2.343 -9.509 1.810 1.00 0.00 O ATOM 298 CB LYS A 19 0.511 -9.080 2.860 1.00 0.00 C ATOM 299 CG LYS A 19 1.084 -10.495 2.777 1.00 0.00 C ATOM 300 CD LYS A 19 2.614 -10.465 2.744 1.00 0.00 C ATOM 301 CE LYS A 19 3.179 -11.814 2.294 1.00 0.00 C ATOM 302 NZ LYS A 19 4.591 -11.952 2.715 1.00 0.00 N ATOM 0 H LYS A 19 -1.368 -7.070 2.062 1.00 0.00 H new ATOM 0 HA LYS A 19 0.656 -8.825 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.301 -8.379 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.240 -9.034 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.746 -11.079 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.707 -10.992 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.951 -9.681 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.998 -10.218 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.586 -12.623 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.107 -11.902 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.082 -12.606 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.055 -11.022 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.629 -12.325 3.685 1.00 0.00 H new ATOM 316 N MET A 20 -1.168 -10.211 0.011 1.00 0.00 N ATOM 317 CA MET A 20 -2.235 -11.061 -0.492 1.00 0.00 C ATOM 318 C MET A 20 -1.694 -12.429 -0.910 1.00 0.00 C ATOM 319 O MET A 20 -0.482 -12.621 -1.004 1.00 0.00 O ATOM 320 CB MET A 20 -2.900 -10.387 -1.695 1.00 0.00 C ATOM 321 CG MET A 20 -4.371 -10.795 -1.807 1.00 0.00 C ATOM 322 SD MET A 20 -5.298 -9.514 -2.636 1.00 0.00 S ATOM 323 CE MET A 20 -6.277 -10.511 -3.747 1.00 0.00 C ATOM 0 H MET A 20 -0.321 -10.208 -0.557 1.00 0.00 H new ATOM 0 HA MET A 20 -2.965 -11.207 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.826 -9.304 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.372 -10.661 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.456 -11.732 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.785 -10.970 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.919 -9.865 -4.346 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.617 -11.077 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.893 -11.201 -3.170 1.00 0.00 H new ATOM 333 N LYS A 21 -2.619 -13.348 -1.147 1.00 0.00 N ATOM 334 CA LYS A 21 -2.251 -14.695 -1.553 1.00 0.00 C ATOM 335 C LYS A 21 -1.405 -14.627 -2.826 1.00 0.00 C ATOM 336 O LYS A 21 -1.722 -13.874 -3.747 1.00 0.00 O ATOM 337 CB LYS A 21 -3.496 -15.574 -1.687 1.00 0.00 C ATOM 338 CG LYS A 21 -3.128 -16.977 -2.175 1.00 0.00 C ATOM 339 CD LYS A 21 -4.011 -18.036 -1.514 1.00 0.00 C ATOM 340 CE LYS A 21 -4.994 -18.636 -2.522 1.00 0.00 C ATOM 341 NZ LYS A 21 -6.385 -18.491 -2.039 1.00 0.00 N ATOM 0 H LYS A 21 -3.623 -13.187 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.637 -15.169 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.003 -15.641 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.196 -15.115 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.239 -17.030 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.081 -17.181 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.387 -18.825 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.561 -17.591 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.884 -18.139 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.765 -19.690 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.039 -18.903 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.490 -18.985 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.605 -17.482 -1.912 1.00 0.00 H new ATOM 355 N GLY A 22 -0.344 -15.421 -2.837 1.00 0.00 N ATOM 356 CA GLY A 22 0.549 -15.460 -3.982 1.00 0.00 C ATOM 357 C GLY A 22 1.177 -14.088 -4.234 1.00 0.00 C ATOM 358 O GLY A 22 1.828 -13.878 -5.256 1.00 0.00 O ATOM 0 H GLY A 22 -0.083 -16.042 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.333 -16.197 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.002 -15.780 -4.867 1.00 0.00 H new ATOM 362 N TYR A 23 0.961 -13.190 -3.285 1.00 0.00 N ATOM 363 CA TYR A 23 1.497 -11.844 -3.392 1.00 0.00 C ATOM 364 C TYR A 23 2.265 -11.458 -2.125 1.00 0.00 C ATOM 365 O TYR A 23 1.679 -11.344 -1.050 1.00 0.00 O ATOM 366 CB TYR A 23 0.289 -10.919 -3.542 1.00 0.00 C ATOM 367 CG TYR A 23 0.626 -9.431 -3.425 1.00 0.00 C ATOM 368 CD1 TYR A 23 1.647 -8.893 -4.182 1.00 0.00 C ATOM 369 CD2 TYR A 23 -0.091 -8.627 -2.562 1.00 0.00 C ATOM 370 CE1 TYR A 23 1.963 -7.493 -4.073 1.00 0.00 C ATOM 371 CE2 TYR A 23 0.226 -7.226 -2.453 1.00 0.00 C ATOM 372 CZ TYR A 23 1.238 -6.728 -3.213 1.00 0.00 C ATOM 373 OH TYR A 23 1.538 -5.406 -3.110 1.00 0.00 O ATOM 0 H TYR A 23 0.422 -13.368 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 23 2.186 -11.771 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.176 -11.100 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.448 -11.175 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.209 -9.522 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.889 -9.048 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.758 -7.059 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.328 -6.585 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 23 1.639 -5.166 -2.165 1.00 0.00 H new ATOM 383 N PRO A 24 3.600 -11.264 -2.299 1.00 0.00 N ATOM 384 CA PRO A 24 4.454 -10.894 -1.183 1.00 0.00 C ATOM 385 C PRO A 24 4.255 -9.426 -0.804 1.00 0.00 C ATOM 386 O PRO A 24 3.820 -8.621 -1.626 1.00 0.00 O ATOM 387 CB PRO A 24 5.867 -11.200 -1.650 1.00 0.00 C ATOM 388 CG PRO A 24 5.794 -11.291 -3.166 1.00 0.00 C ATOM 389 CD PRO A 24 4.328 -11.393 -3.558 1.00 0.00 C ATOM 0 HA PRO A 24 4.221 -11.448 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.559 -10.418 -1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.227 -12.134 -1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.251 -10.414 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.346 -12.161 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.050 -10.606 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.113 -12.344 -4.044 1.00 0.00 H new ATOM 397 N HIS A 25 4.583 -9.118 0.443 1.00 0.00 N ATOM 398 CA HIS A 25 4.446 -7.761 0.941 1.00 0.00 C ATOM 399 C HIS A 25 5.025 -6.779 -0.080 1.00 0.00 C ATOM 400 O HIS A 25 6.222 -6.805 -0.362 1.00 0.00 O ATOM 401 CB HIS A 25 5.082 -7.623 2.324 1.00 0.00 C ATOM 402 CG HIS A 25 4.100 -7.294 3.424 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.867 -6.716 3.178 1.00 0.00 N ATOM 404 CD2 HIS A 25 4.182 -7.470 4.773 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.243 -6.556 4.336 1.00 0.00 C ATOM 406 NE2 HIS A 25 3.060 -7.023 5.323 1.00 0.00 N ATOM 0 H HIS A 25 4.944 -9.787 1.123 1.00 0.00 H new ATOM 0 HA HIS A 25 3.390 -7.520 1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.591 -8.554 2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.843 -6.844 2.286 1.00 0.00 H new ATOM 0 HD1 HIS A 25 2.501 -6.457 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.018 -7.900 5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.260 -6.130 4.474 1.00 0.00 H new ATOM 414 N TRP A 26 4.149 -5.936 -0.605 1.00 0.00 N ATOM 415 CA TRP A 26 4.558 -4.948 -1.590 1.00 0.00 C ATOM 416 C TRP A 26 3.972 -3.597 -1.173 1.00 0.00 C ATOM 417 O TRP A 26 3.006 -3.542 -0.414 1.00 0.00 O ATOM 418 CB TRP A 26 4.141 -5.372 -2.998 1.00 0.00 C ATOM 419 CG TRP A 26 5.313 -5.550 -3.968 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.640 -4.784 -5.016 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.305 -6.599 -3.932 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.766 -5.258 -5.657 1.00 0.00 N ATOM 423 CE2 TRP A 26 7.182 -6.397 -4.978 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.453 -7.681 -3.048 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.272 -7.238 -5.236 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.547 -8.511 -3.320 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.441 -8.322 -4.367 1.00 0.00 C ATOM 0 H TRP A 26 3.157 -5.916 -0.367 1.00 0.00 H new ATOM 0 HA TRP A 26 5.644 -4.862 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.589 -6.310 -2.935 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.457 -4.626 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.091 -3.905 -5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.211 -4.848 -6.478 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.777 -7.858 -2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.946 -7.060 -6.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.708 -9.358 -2.670 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.262 -9.008 -4.509 1.00 0.00 H new ATOM 438 N PRO A 27 4.598 -2.512 -1.702 1.00 0.00 N ATOM 439 CA PRO A 27 4.149 -1.164 -1.395 1.00 0.00 C ATOM 440 C PRO A 27 2.859 -0.831 -2.147 1.00 0.00 C ATOM 441 O PRO A 27 2.891 -0.541 -3.342 1.00 0.00 O ATOM 442 CB PRO A 27 5.311 -0.264 -1.781 1.00 0.00 C ATOM 443 CG PRO A 27 6.183 -1.086 -2.718 1.00 0.00 C ATOM 444 CD PRO A 27 5.744 -2.538 -2.606 1.00 0.00 C ATOM 0 HA PRO A 27 3.896 -1.035 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.957 0.642 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.872 0.049 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.079 -0.733 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.235 -0.983 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.471 -2.945 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.545 -3.164 -2.212 1.00 0.00 H new ATOM 452 N ALA A 28 1.755 -0.882 -1.417 1.00 0.00 N ATOM 453 CA ALA A 28 0.457 -0.590 -1.999 1.00 0.00 C ATOM 454 C ALA A 28 -0.196 0.559 -1.229 1.00 0.00 C ATOM 455 O ALA A 28 0.027 0.712 -0.029 1.00 0.00 O ATOM 456 CB ALA A 28 -0.401 -1.856 -1.998 1.00 0.00 C ATOM 0 H ALA A 28 1.733 -1.122 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 28 0.565 -0.272 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.375 -1.636 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.093 -2.631 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.533 -2.205 -0.974 1.00 0.00 H new ATOM 462 N ARG A 29 -0.989 1.338 -1.949 1.00 0.00 N ATOM 463 CA ARG A 29 -1.677 2.468 -1.349 1.00 0.00 C ATOM 464 C ARG A 29 -3.141 2.116 -1.076 1.00 0.00 C ATOM 465 O ARG A 29 -3.795 1.482 -1.903 1.00 0.00 O ATOM 466 CB ARG A 29 -1.616 3.696 -2.257 1.00 0.00 C ATOM 467 CG ARG A 29 -2.020 4.962 -1.497 1.00 0.00 C ATOM 468 CD ARG A 29 -1.708 6.216 -2.317 1.00 0.00 C ATOM 469 NE ARG A 29 -2.721 7.261 -2.046 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.986 8.281 -2.873 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.314 8.401 -4.027 1.00 0.00 N ATOM 472 NH2 ARG A 29 -3.922 9.182 -2.548 1.00 0.00 N ATOM 0 H ARG A 29 -1.171 1.209 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.175 2.700 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.606 3.811 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.278 3.554 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.085 4.929 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.490 5.004 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.714 6.587 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.699 5.973 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.250 7.201 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.601 7.715 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.516 9.178 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.434 9.092 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.123 9.958 -3.178 1.00 0.00 H new ATOM 486 N ILE A 30 -3.612 2.541 0.088 1.00 0.00 N ATOM 487 CA ILE A 30 -4.987 2.279 0.478 1.00 0.00 C ATOM 488 C ILE A 30 -5.933 3.025 -0.465 1.00 0.00 C ATOM 489 O ILE A 30 -5.593 4.092 -0.974 1.00 0.00 O ATOM 490 CB ILE A 30 -5.197 2.617 1.955 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.981 1.513 2.667 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.864 3.986 2.114 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.488 1.707 2.487 1.00 0.00 C ATOM 0 H ILE A 30 -3.066 3.064 0.773 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.215 1.217 0.381 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.219 2.675 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.686 0.541 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.735 1.514 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.002 4.203 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.232 4.753 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.833 3.978 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.022 0.909 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.783 2.670 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.734 1.681 1.425 1.00 0.00 H new ATOM 505 N ASP A 31 -7.101 2.434 -0.667 1.00 0.00 N ATOM 506 CA ASP A 31 -8.099 3.030 -1.541 1.00 0.00 C ATOM 507 C ASP A 31 -9.494 2.617 -1.069 1.00 0.00 C ATOM 508 O ASP A 31 -9.659 1.569 -0.449 1.00 0.00 O ATOM 509 CB ASP A 31 -7.927 2.549 -2.982 1.00 0.00 C ATOM 510 CG ASP A 31 -6.977 3.390 -3.836 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.755 3.292 -3.593 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.495 4.114 -4.715 1.00 0.00 O ATOM 0 H ASP A 31 -7.379 1.550 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.976 4.112 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.563 1.522 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.905 2.533 -3.463 1.00 0.00 H new ATOM 517 N GLU A 32 -10.463 3.467 -1.380 1.00 0.00 N ATOM 518 CA GLU A 32 -11.839 3.203 -0.995 1.00 0.00 C ATOM 519 C GLU A 32 -12.668 2.809 -2.219 1.00 0.00 C ATOM 520 O GLU A 32 -12.220 2.969 -3.354 1.00 0.00 O ATOM 521 CB GLU A 32 -12.451 4.413 -0.286 1.00 0.00 C ATOM 522 CG GLU A 32 -13.663 4.003 0.554 1.00 0.00 C ATOM 523 CD GLU A 32 -13.906 5.000 1.688 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.188 4.889 2.705 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.805 5.852 1.512 1.00 0.00 O ATOM 0 H GLU A 32 -10.322 4.337 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.845 2.369 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.703 4.881 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.751 5.158 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.547 3.946 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.503 3.008 0.968 1.00 0.00 H new ATOM 532 N MET A 33 -13.861 2.300 -1.949 1.00 0.00 N ATOM 533 CA MET A 33 -14.755 1.881 -3.015 1.00 0.00 C ATOM 534 C MET A 33 -15.389 3.091 -3.703 1.00 0.00 C ATOM 535 O MET A 33 -15.805 4.041 -3.042 1.00 0.00 O ATOM 536 CB MET A 33 -15.855 0.987 -2.437 1.00 0.00 C ATOM 537 CG MET A 33 -16.587 1.689 -1.293 1.00 0.00 C ATOM 538 SD MET A 33 -16.425 0.740 0.211 1.00 0.00 S ATOM 539 CE MET A 33 -16.531 2.051 1.418 1.00 0.00 C ATOM 0 H MET A 33 -14.229 2.168 -1.007 1.00 0.00 H new ATOM 0 HA MET A 33 -14.176 1.327 -3.754 1.00 0.00 H new ATOM 0 HB2 MET A 33 -16.565 0.725 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 33 -15.419 0.055 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 33 -16.177 2.689 -1.148 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.641 1.810 -1.545 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.540 2.253 1.824 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.919 2.952 0.943 1.00 0.00 H new ATOM 0 HE3 MET A 33 -17.199 1.750 2.225 1.00 0.00 H new ATOM 549 N PRO A 34 -15.447 3.014 -5.061 1.00 0.00 N ATOM 550 CA PRO A 34 -16.024 4.091 -5.847 1.00 0.00 C ATOM 551 C PRO A 34 -17.550 4.084 -5.748 1.00 0.00 C ATOM 552 O PRO A 34 -18.140 3.119 -5.266 1.00 0.00 O ATOM 553 CB PRO A 34 -15.518 3.860 -7.262 1.00 0.00 C ATOM 554 CG PRO A 34 -15.062 2.411 -7.309 1.00 0.00 C ATOM 555 CD PRO A 34 -14.964 1.905 -5.878 1.00 0.00 C ATOM 0 HA PRO A 34 -15.730 5.078 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.304 4.046 -7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.696 4.536 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.768 1.807 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.097 2.331 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -15.570 1.011 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.938 1.640 -5.621 1.00 0.00 H new ATOM 563 N GLU A 35 -18.147 5.173 -6.215 1.00 0.00 N ATOM 564 CA GLU A 35 -19.594 5.303 -6.186 1.00 0.00 C ATOM 565 C GLU A 35 -20.079 6.090 -7.404 1.00 0.00 C ATOM 566 O GLU A 35 -21.103 6.770 -7.341 1.00 0.00 O ATOM 567 CB GLU A 35 -20.057 5.963 -4.886 1.00 0.00 C ATOM 568 CG GLU A 35 -19.537 7.398 -4.782 1.00 0.00 C ATOM 569 CD GLU A 35 -19.680 7.932 -3.356 1.00 0.00 C ATOM 570 OE1 GLU A 35 -20.744 7.665 -2.754 1.00 0.00 O ATOM 571 OE2 GLU A 35 -18.724 8.594 -2.898 1.00 0.00 O ATOM 0 H GLU A 35 -17.655 5.972 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.032 4.306 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.146 5.963 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.704 5.382 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.490 7.432 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.088 8.039 -5.471 1.00 0.00 H new ATOM 578 N ALA A 36 -19.323 5.974 -8.485 1.00 0.00 N ATOM 579 CA ALA A 36 -19.664 6.667 -9.715 1.00 0.00 C ATOM 580 C ALA A 36 -20.162 5.651 -10.746 1.00 0.00 C ATOM 581 O ALA A 36 -21.278 5.768 -11.249 1.00 0.00 O ATOM 582 CB ALA A 36 -18.449 7.453 -10.213 1.00 0.00 C ATOM 0 H ALA A 36 -18.475 5.410 -8.535 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.467 7.383 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.705 7.973 -11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.152 8.180 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.623 6.766 -10.401 1.00 0.00 H new ATOM 588 N ALA A 37 -19.309 4.676 -11.030 1.00 0.00 N ATOM 589 CA ALA A 37 -19.650 3.642 -11.992 1.00 0.00 C ATOM 590 C ALA A 37 -20.792 2.791 -11.435 1.00 0.00 C ATOM 591 O ALA A 37 -21.852 2.687 -12.050 1.00 0.00 O ATOM 592 CB ALA A 37 -18.405 2.812 -12.309 1.00 0.00 C ATOM 0 H ALA A 37 -18.384 4.581 -10.611 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.995 4.084 -12.927 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.659 2.036 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.634 3.458 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.033 2.350 -11.395 1.00 0.00 H new ATOM 598 N VAL A 38 -20.538 2.201 -10.276 1.00 0.00 N ATOM 599 CA VAL A 38 -21.532 1.363 -9.629 1.00 0.00 C ATOM 600 C VAL A 38 -21.575 1.689 -8.134 1.00 0.00 C ATOM 601 O VAL A 38 -20.798 2.512 -7.653 1.00 0.00 O ATOM 602 CB VAL A 38 -21.236 -0.113 -9.910 1.00 0.00 C ATOM 603 CG1 VAL A 38 -21.411 -0.432 -11.397 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.834 -0.491 -9.430 1.00 0.00 C ATOM 0 H VAL A 38 -19.657 2.287 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 38 -22.523 1.566 -10.035 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.954 -0.713 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.195 -1.486 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.437 -0.217 -11.697 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.726 0.180 -11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -19.649 -1.544 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -19.095 0.119 -9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.758 -0.317 -8.357 1.00 0.00 H new ATOM 614 N LYS A 39 -22.491 1.026 -7.442 1.00 0.00 N ATOM 615 CA LYS A 39 -22.644 1.235 -6.013 1.00 0.00 C ATOM 616 C LYS A 39 -22.088 0.024 -5.262 1.00 0.00 C ATOM 617 O LYS A 39 -22.848 -0.812 -4.776 1.00 0.00 O ATOM 618 CB LYS A 39 -24.102 1.553 -5.672 1.00 0.00 C ATOM 619 CG LYS A 39 -24.544 2.864 -6.327 1.00 0.00 C ATOM 620 CD LYS A 39 -25.839 2.672 -7.119 1.00 0.00 C ATOM 621 CE LYS A 39 -25.591 2.837 -8.620 1.00 0.00 C ATOM 622 NZ LYS A 39 -25.887 4.225 -9.044 1.00 0.00 N ATOM 0 H LYS A 39 -23.134 0.344 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.068 2.102 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.744 0.739 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.219 1.625 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.691 3.626 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.758 3.226 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -26.248 1.681 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.583 3.396 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.555 2.592 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -26.216 2.139 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -25.714 4.321 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -26.883 4.446 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.273 4.885 -8.525 1.00 0.00 H new ATOM 636 N SER A 40 -20.767 -0.032 -5.191 1.00 0.00 N ATOM 637 CA SER A 40 -20.100 -1.127 -4.507 1.00 0.00 C ATOM 638 C SER A 40 -20.650 -1.269 -3.085 1.00 0.00 C ATOM 639 O SER A 40 -21.329 -0.374 -2.587 1.00 0.00 O ATOM 640 CB SER A 40 -18.585 -0.913 -4.469 1.00 0.00 C ATOM 641 OG SER A 40 -17.872 -2.075 -4.882 1.00 0.00 O ATOM 0 H SER A 40 -20.140 0.663 -5.596 1.00 0.00 H new ATOM 0 HA SER A 40 -20.297 -2.045 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.321 -0.076 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.282 -0.642 -3.458 1.00 0.00 H new ATOM 0 HG SER A 40 -16.909 -1.898 -4.846 1.00 0.00 H new ATOM 647 N THR A 41 -20.336 -2.402 -2.474 1.00 0.00 N ATOM 648 CA THR A 41 -20.789 -2.673 -1.122 1.00 0.00 C ATOM 649 C THR A 41 -19.745 -2.210 -0.106 1.00 0.00 C ATOM 650 O THR A 41 -18.584 -2.610 -0.178 1.00 0.00 O ATOM 651 CB THR A 41 -21.115 -4.165 -1.022 1.00 0.00 C ATOM 652 OG1 THR A 41 -19.841 -4.790 -0.892 1.00 0.00 O ATOM 653 CG2 THR A 41 -21.676 -4.731 -2.328 1.00 0.00 C ATOM 0 H THR A 41 -19.773 -3.143 -2.892 1.00 0.00 H new ATOM 0 HA THR A 41 -21.694 -2.112 -0.889 1.00 0.00 H new ATOM 0 HB THR A 41 -21.834 -4.326 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.135 -4.119 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 41 -21.890 -5.792 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 41 -22.594 -4.204 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 41 -20.944 -4.600 -3.125 1.00 0.00 H new ATOM 661 N ALA A 42 -20.195 -1.373 0.818 1.00 0.00 N ATOM 662 CA ALA A 42 -19.312 -0.851 1.848 1.00 0.00 C ATOM 663 C ALA A 42 -19.171 -1.886 2.967 1.00 0.00 C ATOM 664 O ALA A 42 -20.167 -2.322 3.542 1.00 0.00 O ATOM 665 CB ALA A 42 -19.855 0.487 2.356 1.00 0.00 C ATOM 0 H ALA A 42 -21.159 -1.044 0.875 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.317 -0.667 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.193 0.879 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.908 1.196 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.852 0.341 2.772 1.00 0.00 H new ATOM 671 N ASN A 43 -17.926 -2.249 3.240 1.00 0.00 N ATOM 672 CA ASN A 43 -17.643 -3.225 4.279 1.00 0.00 C ATOM 673 C ASN A 43 -16.171 -3.634 4.199 1.00 0.00 C ATOM 674 O ASN A 43 -15.548 -3.922 5.221 1.00 0.00 O ATOM 675 CB ASN A 43 -18.494 -4.483 4.099 1.00 0.00 C ATOM 676 CG ASN A 43 -18.406 -5.004 2.665 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.462 -5.673 2.276 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.440 -4.665 1.899 1.00 0.00 N ATOM 0 H ASN A 43 -17.103 -1.885 2.760 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.873 -2.770 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -18.159 -5.255 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.532 -4.262 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.474 -4.967 0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -20.198 -4.103 2.286 1.00 0.00 H new ATOM 685 N LYS A 44 -15.658 -3.645 2.979 1.00 0.00 N ATOM 686 CA LYS A 44 -14.270 -4.015 2.754 1.00 0.00 C ATOM 687 C LYS A 44 -13.472 -2.769 2.364 1.00 0.00 C ATOM 688 O LYS A 44 -14.035 -1.682 2.232 1.00 0.00 O ATOM 689 CB LYS A 44 -14.177 -5.149 1.731 1.00 0.00 C ATOM 690 CG LYS A 44 -14.070 -4.598 0.307 1.00 0.00 C ATOM 691 CD LYS A 44 -14.901 -5.433 -0.668 1.00 0.00 C ATOM 692 CE LYS A 44 -15.359 -4.590 -1.860 1.00 0.00 C ATOM 693 NZ LYS A 44 -16.378 -5.318 -2.648 1.00 0.00 N ATOM 0 H LYS A 44 -16.177 -3.404 2.135 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.826 -4.405 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.309 -5.770 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.056 -5.789 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.411 -3.563 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.027 -4.596 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.312 -6.279 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.770 -5.843 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.771 -3.644 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.505 -4.350 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.678 -4.732 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.973 -6.209 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.200 -5.525 -2.045 1.00 0.00 H new ATOM 707 N TYR A 45 -12.173 -2.967 2.191 1.00 0.00 N ATOM 708 CA TYR A 45 -11.292 -1.873 1.819 1.00 0.00 C ATOM 709 C TYR A 45 -10.653 -2.125 0.453 1.00 0.00 C ATOM 710 O TYR A 45 -10.471 -3.273 0.050 1.00 0.00 O ATOM 711 CB TYR A 45 -10.194 -1.835 2.883 1.00 0.00 C ATOM 712 CG TYR A 45 -10.098 -0.502 3.630 1.00 0.00 C ATOM 713 CD1 TYR A 45 -10.367 0.679 2.970 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.743 -0.483 4.963 1.00 0.00 C ATOM 715 CE1 TYR A 45 -10.276 1.933 3.673 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.652 0.770 5.666 1.00 0.00 C ATOM 717 CZ TYR A 45 -9.922 1.916 4.986 1.00 0.00 C ATOM 718 OH TYR A 45 -9.837 3.101 5.650 1.00 0.00 O ATOM 0 H TYR A 45 -11.710 -3.869 2.302 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.847 -0.937 1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.373 -2.632 3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.235 -2.044 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.646 0.663 1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.533 -1.408 5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.484 2.865 3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.376 0.799 6.710 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.575 2.937 6.580 1.00 0.00 H new ATOM 728 N GLN A 46 -10.327 -1.033 -0.224 1.00 0.00 N ATOM 729 CA GLN A 46 -9.711 -1.120 -1.537 1.00 0.00 C ATOM 730 C GLN A 46 -8.189 -1.040 -1.416 1.00 0.00 C ATOM 731 O GLN A 46 -7.666 -0.209 -0.675 1.00 0.00 O ATOM 732 CB GLN A 46 -10.247 -0.030 -2.468 1.00 0.00 C ATOM 733 CG GLN A 46 -10.545 -0.593 -3.859 1.00 0.00 C ATOM 734 CD GLN A 46 -11.661 0.198 -4.544 1.00 0.00 C ATOM 735 OE1 GLN A 46 -12.799 -0.231 -4.630 1.00 0.00 O ATOM 736 NE2 GLN A 46 -11.271 1.377 -5.024 1.00 0.00 N ATOM 0 H GLN A 46 -10.478 -0.082 0.113 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.970 -2.084 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.154 0.401 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.518 0.776 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.643 -0.559 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.835 -1.641 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.301 1.675 -4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.942 1.982 -5.498 1.00 0.00 H new ATOM 745 N VAL A 47 -7.521 -1.913 -2.153 1.00 0.00 N ATOM 746 CA VAL A 47 -6.070 -1.952 -2.138 1.00 0.00 C ATOM 747 C VAL A 47 -5.540 -1.683 -3.549 1.00 0.00 C ATOM 748 O VAL A 47 -6.098 -2.177 -4.528 1.00 0.00 O ATOM 749 CB VAL A 47 -5.587 -3.284 -1.562 1.00 0.00 C ATOM 750 CG1 VAL A 47 -5.383 -4.318 -2.671 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.305 -3.097 -0.746 1.00 0.00 C ATOM 0 H VAL A 47 -7.959 -2.601 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.675 -1.171 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.360 -3.658 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.039 -5.256 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.326 -4.484 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.638 -3.952 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.983 -4.059 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.523 -2.689 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.495 -2.409 0.078 1.00 0.00 H new ATOM 761 N PHE A 48 -4.472 -0.903 -3.609 1.00 0.00 N ATOM 762 CA PHE A 48 -3.863 -0.563 -4.882 1.00 0.00 C ATOM 763 C PHE A 48 -2.346 -0.760 -4.835 1.00 0.00 C ATOM 764 O PHE A 48 -1.627 0.062 -4.270 1.00 0.00 O ATOM 765 CB PHE A 48 -4.164 0.915 -5.143 1.00 0.00 C ATOM 766 CG PHE A 48 -4.752 1.194 -6.528 1.00 0.00 C ATOM 767 CD1 PHE A 48 -4.042 0.875 -7.644 1.00 0.00 C ATOM 768 CD2 PHE A 48 -5.982 1.763 -6.643 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.587 1.134 -8.930 1.00 0.00 C ATOM 770 CE2 PHE A 48 -6.526 2.023 -7.929 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.818 1.703 -9.045 1.00 0.00 C ATOM 0 H PHE A 48 -4.012 -0.496 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.262 -1.205 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.860 1.273 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.244 1.489 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.064 0.425 -7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.545 2.017 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.025 0.879 -9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.503 2.475 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.233 1.900 -10.023 1.00 0.00 H new ATOM 781 N PHE A 49 -1.905 -1.856 -5.436 1.00 0.00 N ATOM 782 CA PHE A 49 -0.487 -2.172 -5.469 1.00 0.00 C ATOM 783 C PHE A 49 0.242 -1.314 -6.505 1.00 0.00 C ATOM 784 O PHE A 49 -0.099 -1.338 -7.687 1.00 0.00 O ATOM 785 CB PHE A 49 -0.366 -3.644 -5.867 1.00 0.00 C ATOM 786 CG PHE A 49 -1.462 -4.538 -5.286 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.366 -4.984 -4.004 1.00 0.00 C ATOM 788 CD2 PHE A 49 -2.532 -4.888 -6.049 1.00 0.00 C ATOM 789 CE1 PHE A 49 -2.384 -5.814 -3.464 1.00 0.00 C ATOM 790 CE2 PHE A 49 -3.550 -5.718 -5.508 1.00 0.00 C ATOM 791 CZ PHE A 49 -3.454 -6.164 -4.227 1.00 0.00 C ATOM 0 H PHE A 49 -2.505 -2.536 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.039 -1.976 -4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.389 -3.719 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.605 -4.019 -5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.516 -4.707 -3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.608 -4.535 -7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.308 -6.168 -2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.400 -5.995 -6.114 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.227 -6.796 -3.816 1.00 0.00 H new ATOM 801 N PHE A 50 1.230 -0.574 -6.025 1.00 0.00 N ATOM 802 CA PHE A 50 2.010 0.290 -6.895 1.00 0.00 C ATOM 803 C PHE A 50 3.025 -0.519 -7.704 1.00 0.00 C ATOM 804 O PHE A 50 2.994 -0.507 -8.935 1.00 0.00 O ATOM 805 CB PHE A 50 2.761 1.271 -5.993 1.00 0.00 C ATOM 806 CG PHE A 50 1.976 2.543 -5.668 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.304 3.199 -6.653 1.00 0.00 C ATOM 808 CD2 PHE A 50 1.949 3.020 -4.394 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.575 4.378 -6.352 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.220 4.202 -4.094 1.00 0.00 C ATOM 811 CZ PHE A 50 0.549 4.855 -5.079 1.00 0.00 C ATOM 0 H PHE A 50 1.509 -0.555 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 50 1.352 0.803 -7.597 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.019 0.767 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.698 1.548 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.326 2.822 -7.665 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.481 2.500 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.041 4.897 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.199 4.582 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.005 5.753 -4.851 1.00 0.00 H new ATOM 821 N GLY A 51 3.900 -1.203 -6.982 1.00 0.00 N ATOM 822 CA GLY A 51 4.923 -2.016 -7.619 1.00 0.00 C ATOM 823 C GLY A 51 4.363 -2.738 -8.846 1.00 0.00 C ATOM 824 O GLY A 51 4.888 -2.591 -9.950 1.00 0.00 O ATOM 0 H GLY A 51 3.922 -1.211 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.762 -1.386 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.308 -2.746 -6.907 1.00 0.00 H new ATOM 828 N THR A 52 3.308 -3.503 -8.613 1.00 0.00 N ATOM 829 CA THR A 52 2.673 -4.249 -9.687 1.00 0.00 C ATOM 830 C THR A 52 1.741 -3.339 -10.490 1.00 0.00 C ATOM 831 O THR A 52 1.535 -3.553 -11.682 1.00 0.00 O ATOM 832 CB THR A 52 1.960 -5.453 -9.068 1.00 0.00 C ATOM 833 OG1 THR A 52 0.938 -4.876 -8.261 1.00 0.00 O ATOM 834 CG2 THR A 52 2.841 -6.207 -8.070 1.00 0.00 C ATOM 0 H THR A 52 2.876 -3.623 -7.697 1.00 0.00 H new ATOM 0 HA THR A 52 3.409 -4.619 -10.401 1.00 0.00 H new ATOM 0 HB THR A 52 1.645 -6.133 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.426 -5.588 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.287 -7.052 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.735 -6.571 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.130 -5.536 -7.261 1.00 0.00 H new ATOM 842 N HIS A 53 1.203 -2.342 -9.802 1.00 0.00 N ATOM 843 CA HIS A 53 0.299 -1.397 -10.435 1.00 0.00 C ATOM 844 C HIS A 53 -1.060 -2.063 -10.663 1.00 0.00 C ATOM 845 O HIS A 53 -1.704 -1.835 -11.686 1.00 0.00 O ATOM 846 CB HIS A 53 0.909 -0.841 -11.723 1.00 0.00 C ATOM 847 CG HIS A 53 1.129 0.653 -11.703 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.372 1.225 -11.496 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.252 1.685 -11.867 1.00 0.00 C ATOM 850 CE1 HIS A 53 2.237 2.543 -11.534 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.922 2.826 -11.764 1.00 0.00 N ATOM 0 H HIS A 53 1.376 -2.168 -8.812 1.00 0.00 H new ATOM 0 HA HIS A 53 0.142 -0.542 -9.778 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.863 -1.336 -11.904 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.256 -1.091 -12.559 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.808 1.590 -12.050 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.029 3.266 -11.405 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.520 3.760 -11.844 1.00 0.00 H new ATOM 859 N GLU A 54 -1.457 -2.873 -9.692 1.00 0.00 N ATOM 860 CA GLU A 54 -2.727 -3.573 -9.774 1.00 0.00 C ATOM 861 C GLU A 54 -3.663 -3.106 -8.657 1.00 0.00 C ATOM 862 O GLU A 54 -3.290 -2.265 -7.841 1.00 0.00 O ATOM 863 CB GLU A 54 -2.522 -5.088 -9.720 1.00 0.00 C ATOM 864 CG GLU A 54 -2.122 -5.636 -11.091 1.00 0.00 C ATOM 865 CD GLU A 54 -3.099 -6.718 -11.557 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.223 -6.337 -11.953 1.00 0.00 O ATOM 867 OE2 GLU A 54 -2.702 -7.902 -11.505 1.00 0.00 O ATOM 0 H GLU A 54 -0.921 -3.060 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.190 -3.336 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.750 -5.328 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.440 -5.571 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.099 -4.824 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.114 -6.048 -11.042 1.00 0.00 H new ATOM 874 N THR A 55 -4.861 -3.674 -8.656 1.00 0.00 N ATOM 875 CA THR A 55 -5.852 -3.326 -7.652 1.00 0.00 C ATOM 876 C THR A 55 -6.584 -4.580 -7.170 1.00 0.00 C ATOM 877 O THR A 55 -6.558 -5.614 -7.837 1.00 0.00 O ATOM 878 CB THR A 55 -6.783 -2.271 -8.253 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.180 -1.032 -7.895 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.148 -2.235 -7.564 1.00 0.00 C ATOM 0 H THR A 55 -5.167 -4.372 -9.334 1.00 0.00 H new ATOM 0 HA THR A 55 -5.385 -2.899 -6.765 1.00 0.00 H new ATOM 0 HB THR A 55 -6.919 -2.469 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.893 -0.562 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.770 -1.470 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.632 -3.206 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.016 -2.003 -6.507 1.00 0.00 H new ATOM 888 N ALA A 56 -7.222 -4.447 -6.017 1.00 0.00 N ATOM 889 CA ALA A 56 -7.961 -5.556 -5.438 1.00 0.00 C ATOM 890 C ALA A 56 -8.706 -5.072 -4.192 1.00 0.00 C ATOM 891 O ALA A 56 -8.613 -3.902 -3.824 1.00 0.00 O ATOM 892 CB ALA A 56 -6.999 -6.707 -5.132 1.00 0.00 C ATOM 0 H ALA A 56 -7.243 -3.588 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.704 -5.931 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.553 -7.539 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.518 -7.034 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.240 -6.369 -4.426 1.00 0.00 H new ATOM 898 N PHE A 57 -9.429 -5.997 -3.577 1.00 0.00 N ATOM 899 CA PHE A 57 -10.189 -5.680 -2.380 1.00 0.00 C ATOM 900 C PHE A 57 -9.604 -6.384 -1.155 1.00 0.00 C ATOM 901 O PHE A 57 -9.771 -7.591 -0.990 1.00 0.00 O ATOM 902 CB PHE A 57 -11.615 -6.183 -2.610 1.00 0.00 C ATOM 903 CG PHE A 57 -11.726 -7.703 -2.739 1.00 0.00 C ATOM 904 CD1 PHE A 57 -11.462 -8.305 -3.930 1.00 0.00 C ATOM 905 CD2 PHE A 57 -12.086 -8.452 -1.663 1.00 0.00 C ATOM 906 CE1 PHE A 57 -11.564 -9.718 -4.049 1.00 0.00 C ATOM 907 CE2 PHE A 57 -12.189 -9.864 -1.783 1.00 0.00 C ATOM 908 CZ PHE A 57 -11.925 -10.467 -2.974 1.00 0.00 C ATOM 0 H PHE A 57 -9.504 -6.966 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.161 -4.606 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.244 -5.852 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.010 -5.722 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.175 -7.710 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.294 -7.974 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.354 -10.196 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.477 -10.459 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.002 -11.540 -3.065 1.00 0.00 H new ATOM 918 N LEU A 58 -8.928 -5.600 -0.328 1.00 0.00 N ATOM 919 CA LEU A 58 -8.317 -6.134 0.877 1.00 0.00 C ATOM 920 C LEU A 58 -8.848 -5.375 2.094 1.00 0.00 C ATOM 921 O LEU A 58 -9.630 -4.435 1.951 1.00 0.00 O ATOM 922 CB LEU A 58 -6.791 -6.115 0.758 1.00 0.00 C ATOM 923 CG LEU A 58 -6.184 -7.108 -0.235 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.660 -6.969 -0.285 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.619 -8.538 0.085 1.00 0.00 C ATOM 0 H LEU A 58 -8.790 -4.599 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.591 -7.181 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.481 -5.110 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.367 -6.311 1.743 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.562 -6.872 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.252 -7.686 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.397 -5.958 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.244 -7.164 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.174 -9.224 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.289 -8.803 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.705 -8.609 0.030 1.00 0.00 H new ATOM 937 N GLY A 59 -8.403 -5.807 3.264 1.00 0.00 N ATOM 938 CA GLY A 59 -8.824 -5.179 4.504 1.00 0.00 C ATOM 939 C GLY A 59 -7.630 -4.576 5.248 1.00 0.00 C ATOM 940 O GLY A 59 -6.599 -4.288 4.642 1.00 0.00 O ATOM 0 H GLY A 59 -7.754 -6.585 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.555 -4.399 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.318 -5.915 5.139 1.00 0.00 H new ATOM 944 N PRO A 60 -7.813 -4.401 6.584 1.00 0.00 N ATOM 945 CA PRO A 60 -6.763 -3.838 7.415 1.00 0.00 C ATOM 946 C PRO A 60 -5.654 -4.862 7.667 1.00 0.00 C ATOM 947 O PRO A 60 -4.472 -4.531 7.601 1.00 0.00 O ATOM 948 CB PRO A 60 -7.465 -3.398 8.689 1.00 0.00 C ATOM 949 CG PRO A 60 -8.788 -4.146 8.718 1.00 0.00 C ATOM 950 CD PRO A 60 -9.020 -4.733 7.334 1.00 0.00 C ATOM 0 HA PRO A 60 -6.258 -2.996 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.864 -3.634 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.626 -2.320 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.764 -4.936 9.469 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.602 -3.473 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.173 -5.811 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.907 -4.306 6.866 1.00 0.00 H new ATOM 958 N LYS A 61 -6.076 -6.087 7.949 1.00 0.00 N ATOM 959 CA LYS A 61 -5.134 -7.161 8.211 1.00 0.00 C ATOM 960 C LYS A 61 -4.209 -7.329 7.004 1.00 0.00 C ATOM 961 O LYS A 61 -3.001 -7.493 7.161 1.00 0.00 O ATOM 962 CB LYS A 61 -5.876 -8.441 8.600 1.00 0.00 C ATOM 963 CG LYS A 61 -6.817 -8.892 7.480 1.00 0.00 C ATOM 964 CD LYS A 61 -7.835 -9.912 7.995 1.00 0.00 C ATOM 965 CE LYS A 61 -8.930 -9.226 8.814 1.00 0.00 C ATOM 966 NZ LYS A 61 -10.252 -9.422 8.176 1.00 0.00 N ATOM 0 H LYS A 61 -7.058 -6.359 8.002 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.503 -6.914 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.157 -9.231 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.447 -8.271 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.339 -8.028 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.237 -9.330 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.282 -10.441 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.330 -10.658 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.944 -9.631 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.715 -8.161 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.985 -8.951 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.240 -9.014 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.461 -10.439 8.116 1.00 0.00 H new ATOM 980 N ASP A 62 -4.814 -7.279 5.825 1.00 0.00 N ATOM 981 CA ASP A 62 -4.060 -7.424 4.592 1.00 0.00 C ATOM 982 C ASP A 62 -3.095 -6.245 4.447 1.00 0.00 C ATOM 983 O ASP A 62 -2.205 -6.267 3.599 1.00 0.00 O ATOM 984 CB ASP A 62 -4.988 -7.427 3.375 1.00 0.00 C ATOM 985 CG ASP A 62 -5.491 -8.807 2.949 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.687 -9.537 2.328 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.667 -9.102 3.252 1.00 0.00 O ATOM 0 H ASP A 62 -5.817 -7.140 5.699 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.521 -8.370 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.849 -6.794 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.462 -6.973 2.535 1.00 0.00 H new ATOM 992 N LEU A 63 -3.305 -5.244 5.289 1.00 0.00 N ATOM 993 CA LEU A 63 -2.465 -4.058 5.267 1.00 0.00 C ATOM 994 C LEU A 63 -1.646 -3.994 6.557 1.00 0.00 C ATOM 995 O LEU A 63 -2.206 -3.874 7.646 1.00 0.00 O ATOM 996 CB LEU A 63 -3.309 -2.808 5.011 1.00 0.00 C ATOM 997 CG LEU A 63 -2.933 -1.985 3.776 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.566 -2.894 2.602 1.00 0.00 C ATOM 999 CD2 LEU A 63 -4.046 -1.000 3.414 1.00 0.00 C ATOM 0 H LEU A 63 -4.045 -5.230 5.991 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.755 -4.109 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.352 -3.111 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.242 -2.163 5.887 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.048 -1.396 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.303 -2.284 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.716 -3.519 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.417 -3.528 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.753 -0.428 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.963 -1.549 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.216 -0.320 4.249 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.334 -4.076 6.393 1.00 0.00 N ATOM 1012 CA PHE A 64 0.568 -4.028 7.532 1.00 0.00 C ATOM 1013 C PHE A 64 1.375 -2.729 7.537 1.00 0.00 C ATOM 1014 O PHE A 64 1.840 -2.278 6.492 1.00 0.00 O ATOM 1015 CB PHE A 64 1.527 -5.210 7.391 1.00 0.00 C ATOM 1016 CG PHE A 64 1.341 -6.293 8.458 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.354 -7.218 8.320 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.162 -6.330 9.540 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.180 -8.222 9.309 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.988 -7.334 10.530 1.00 0.00 C ATOM 1021 CZ PHE A 64 1.001 -8.259 10.392 1.00 0.00 C ATOM 0 H PHE A 64 0.127 -4.175 5.488 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.001 -4.074 8.461 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.393 -5.658 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.552 -4.841 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.297 -7.189 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.947 -5.596 9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.605 -8.956 9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.639 -7.362 11.391 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.869 -9.024 11.143 1.00 0.00 H new ATOM 1031 N PRO A 65 1.520 -2.148 8.758 1.00 0.00 N ATOM 1032 CA PRO A 65 2.264 -0.909 8.915 1.00 0.00 C ATOM 1033 C PRO A 65 3.771 -1.158 8.813 1.00 0.00 C ATOM 1034 O PRO A 65 4.215 -2.305 8.808 1.00 0.00 O ATOM 1035 CB PRO A 65 1.841 -0.364 10.268 1.00 0.00 C ATOM 1036 CG PRO A 65 1.238 -1.539 11.021 1.00 0.00 C ATOM 1037 CD PRO A 65 0.984 -2.653 10.018 1.00 0.00 C ATOM 0 HA PRO A 65 2.050 -0.187 8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.694 0.049 10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.115 0.441 10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.915 -1.878 11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.308 -1.244 11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.480 -3.576 10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.080 -2.876 9.935 1.00 0.00 H new ATOM 1045 N TYR A 66 4.514 -0.064 8.738 1.00 0.00 N ATOM 1046 CA TYR A 66 5.961 -0.148 8.639 1.00 0.00 C ATOM 1047 C TYR A 66 6.596 -0.344 10.017 1.00 0.00 C ATOM 1048 O TYR A 66 7.544 -1.113 10.164 1.00 0.00 O ATOM 1049 CB TYR A 66 6.424 1.191 8.063 1.00 0.00 C ATOM 1050 CG TYR A 66 7.896 1.510 8.334 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.880 0.945 7.550 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.238 2.364 9.364 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.265 1.246 7.805 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.623 2.664 9.620 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.568 2.091 8.827 1.00 0.00 C ATOM 1056 OH TYR A 66 11.877 2.374 9.068 1.00 0.00 O ATOM 0 H TYR A 66 4.141 0.885 8.744 1.00 0.00 H new ATOM 0 HA TYR A 66 6.253 -0.994 8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.256 1.189 6.986 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.808 1.987 8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.612 0.277 6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.467 2.807 9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.045 0.811 7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.905 3.329 10.423 1.00 0.00 H new ATOM 0 HH TYR A 66 11.944 2.991 9.826 1.00 0.00 H new ATOM 1066 N GLU A 67 6.046 0.366 10.992 1.00 0.00 N ATOM 1067 CA GLU A 67 6.547 0.280 12.354 1.00 0.00 C ATOM 1068 C GLU A 67 6.623 -1.181 12.799 1.00 0.00 C ATOM 1069 O GLU A 67 7.663 -1.636 13.275 1.00 0.00 O ATOM 1070 CB GLU A 67 5.678 1.101 13.309 1.00 0.00 C ATOM 1071 CG GLU A 67 6.454 2.296 13.865 1.00 0.00 C ATOM 1072 CD GLU A 67 5.717 2.925 15.050 1.00 0.00 C ATOM 1073 OE1 GLU A 67 4.491 3.123 14.915 1.00 0.00 O ATOM 1074 OE2 GLU A 67 6.397 3.195 16.062 1.00 0.00 O ATOM 0 H GLU A 67 5.259 1.003 10.866 1.00 0.00 H new ATOM 0 HA GLU A 67 7.553 0.699 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.788 1.452 12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.337 0.470 14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.447 1.975 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.592 3.041 13.081 1.00 0.00 H new ATOM 1081 N GLU A 68 5.508 -1.877 12.631 1.00 0.00 N ATOM 1082 CA GLU A 68 5.435 -3.278 13.010 1.00 0.00 C ATOM 1083 C GLU A 68 6.318 -4.123 12.091 1.00 0.00 C ATOM 1084 O GLU A 68 7.083 -4.965 12.560 1.00 0.00 O ATOM 1085 CB GLU A 68 3.989 -3.776 12.994 1.00 0.00 C ATOM 1086 CG GLU A 68 3.459 -3.972 14.414 1.00 0.00 C ATOM 1087 CD GLU A 68 1.928 -3.970 14.434 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.349 -4.511 13.469 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.375 -3.427 15.414 1.00 0.00 O ATOM 0 H GLU A 68 4.647 -1.497 12.237 1.00 0.00 H new ATOM 0 HA GLU A 68 5.807 -3.378 14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.361 -3.061 12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.931 -4.717 12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.830 -4.914 14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.836 -3.178 15.059 1.00 0.00 H new ATOM 1096 N SER A 69 6.183 -3.871 10.797 1.00 0.00 N ATOM 1097 CA SER A 69 6.959 -4.598 9.808 1.00 0.00 C ATOM 1098 C SER A 69 8.452 -4.482 10.123 1.00 0.00 C ATOM 1099 O SER A 69 9.160 -5.487 10.173 1.00 0.00 O ATOM 1100 CB SER A 69 6.674 -4.082 8.395 1.00 0.00 C ATOM 1101 OG SER A 69 7.402 -2.892 8.106 1.00 0.00 O ATOM 0 H SER A 69 5.547 -3.173 10.411 1.00 0.00 H new ATOM 0 HA SER A 69 6.666 -5.647 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.934 -4.852 7.668 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.607 -3.889 8.287 1.00 0.00 H new ATOM 0 HG SER A 69 7.363 -2.289 8.878 1.00 0.00 H new ATOM 1107 N LYS A 70 8.886 -3.246 10.329 1.00 0.00 N ATOM 1108 CA LYS A 70 10.282 -2.986 10.639 1.00 0.00 C ATOM 1109 C LYS A 70 10.599 -3.529 12.034 1.00 0.00 C ATOM 1110 O LYS A 70 11.766 -3.687 12.389 1.00 0.00 O ATOM 1111 CB LYS A 70 10.598 -1.499 10.471 1.00 0.00 C ATOM 1112 CG LYS A 70 10.557 -0.773 11.818 1.00 0.00 C ATOM 1113 CD LYS A 70 10.086 0.672 11.650 1.00 0.00 C ATOM 1114 CE LYS A 70 9.935 1.361 13.007 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.143 2.160 13.320 1.00 0.00 N ATOM 0 H LYS A 70 8.296 -2.415 10.287 1.00 0.00 H new ATOM 0 HA LYS A 70 10.933 -3.508 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.584 -1.382 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.880 -1.046 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.888 -1.300 12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.548 -0.785 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.800 1.222 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.133 0.688 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.057 2.007 12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.774 0.614 13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.024 2.621 14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.974 1.536 13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.280 2.885 12.587 1.00 0.00 H new ATOM 1129 N GLU A 71 9.542 -3.800 12.784 1.00 0.00 N ATOM 1130 CA GLU A 71 9.695 -4.322 14.131 1.00 0.00 C ATOM 1131 C GLU A 71 10.248 -5.748 14.088 1.00 0.00 C ATOM 1132 O GLU A 71 11.148 -6.092 14.855 1.00 0.00 O ATOM 1133 CB GLU A 71 8.369 -4.272 14.892 1.00 0.00 C ATOM 1134 CG GLU A 71 8.606 -4.195 16.402 1.00 0.00 C ATOM 1135 CD GLU A 71 7.705 -5.182 17.148 1.00 0.00 C ATOM 1136 OE1 GLU A 71 6.471 -5.018 17.040 1.00 0.00 O ATOM 1137 OE2 GLU A 71 8.272 -6.078 17.810 1.00 0.00 O ATOM 0 H GLU A 71 8.576 -3.668 12.485 1.00 0.00 H new ATOM 0 HA GLU A 71 10.407 -3.693 14.665 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.791 -3.407 14.566 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.778 -5.157 14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.651 -4.413 16.622 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.411 -3.182 16.753 1.00 0.00 H new ATOM 1144 N LYS A 72 9.689 -6.538 13.184 1.00 0.00 N ATOM 1145 CA LYS A 72 10.115 -7.919 13.032 1.00 0.00 C ATOM 1146 C LYS A 72 10.938 -8.055 11.750 1.00 0.00 C ATOM 1147 O LYS A 72 12.142 -8.299 11.803 1.00 0.00 O ATOM 1148 CB LYS A 72 8.912 -8.862 13.094 1.00 0.00 C ATOM 1149 CG LYS A 72 7.655 -8.183 12.546 1.00 0.00 C ATOM 1150 CD LYS A 72 6.667 -9.217 12.002 1.00 0.00 C ATOM 1151 CE LYS A 72 7.116 -9.738 10.635 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.022 -10.490 9.981 1.00 0.00 N ATOM 0 H LYS A 72 8.945 -6.249 12.549 1.00 0.00 H new ATOM 0 HA LYS A 72 10.761 -8.211 13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.122 -9.764 12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.742 -9.173 14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.179 -7.600 13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.930 -7.485 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.583 -10.048 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.677 -8.770 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.420 -8.903 10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.988 -10.382 10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.344 -10.836 9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.751 -11.298 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.201 -9.865 9.851 1.00 0.00 H new ATOM 1166 N PHE A 73 10.255 -7.892 10.627 1.00 0.00 N ATOM 1167 CA PHE A 73 10.907 -7.993 9.332 1.00 0.00 C ATOM 1168 C PHE A 73 10.509 -6.828 8.424 1.00 0.00 C ATOM 1169 O PHE A 73 11.209 -5.818 8.361 1.00 0.00 O ATOM 1170 CB PHE A 73 10.437 -9.303 8.695 1.00 0.00 C ATOM 1171 CG PHE A 73 11.344 -10.500 8.989 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.430 -10.737 8.206 1.00 0.00 C ATOM 1173 CD2 PHE A 73 11.065 -11.325 10.033 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.273 -11.847 8.478 1.00 0.00 C ATOM 1175 CE2 PHE A 73 11.909 -12.434 10.307 1.00 0.00 C ATOM 1176 CZ PHE A 73 12.995 -12.672 9.523 1.00 0.00 C ATOM 0 H PHE A 73 9.256 -7.691 10.587 1.00 0.00 H new ATOM 0 HA PHE A 73 11.989 -7.967 9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.431 -9.527 9.050 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.371 -9.167 7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.652 -10.081 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.202 -11.137 10.654 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.135 -12.036 7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.689 -13.088 11.138 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.636 -13.516 9.730 1.00 0.00 H new ATOM 1186 N GLY A 74 9.386 -7.006 7.744 1.00 0.00 N ATOM 1187 CA GLY A 74 8.887 -5.982 6.842 1.00 0.00 C ATOM 1188 C GLY A 74 9.747 -5.894 5.580 1.00 0.00 C ATOM 1189 O GLY A 74 9.713 -4.890 4.870 1.00 0.00 O ATOM 0 H GLY A 74 8.807 -7.844 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.856 -6.205 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.881 -5.017 7.350 1.00 0.00 H new ATOM 1193 N LYS A 75 10.499 -6.959 5.341 1.00 0.00 N ATOM 1194 CA LYS A 75 11.367 -7.015 4.177 1.00 0.00 C ATOM 1195 C LYS A 75 10.953 -8.193 3.294 1.00 0.00 C ATOM 1196 O LYS A 75 11.399 -9.320 3.504 1.00 0.00 O ATOM 1197 CB LYS A 75 12.835 -7.054 4.607 1.00 0.00 C ATOM 1198 CG LYS A 75 13.094 -6.096 5.770 1.00 0.00 C ATOM 1199 CD LYS A 75 12.943 -4.640 5.325 1.00 0.00 C ATOM 1200 CE LYS A 75 13.932 -4.303 4.208 1.00 0.00 C ATOM 1201 NZ LYS A 75 13.221 -4.112 2.926 1.00 0.00 N ATOM 0 H LYS A 75 10.525 -7.789 5.933 1.00 0.00 H new ATOM 0 HA LYS A 75 11.258 -6.113 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.104 -8.069 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.471 -6.787 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.397 -6.306 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.098 -6.258 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.924 -4.466 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.109 -3.977 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.483 -3.398 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.664 -5.104 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.877 -3.721 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.857 -5.027 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.428 -3.454 3.064 1.00 0.00 H new ATOM 1215 N PRO A 76 10.080 -7.884 2.296 1.00 0.00 N ATOM 1216 CA PRO A 76 9.600 -8.903 1.379 1.00 0.00 C ATOM 1217 C PRO A 76 10.681 -9.281 0.364 1.00 0.00 C ATOM 1218 O PRO A 76 11.743 -8.664 0.326 1.00 0.00 O ATOM 1219 CB PRO A 76 8.364 -8.301 0.734 1.00 0.00 C ATOM 1220 CG PRO A 76 8.461 -6.802 0.964 1.00 0.00 C ATOM 1221 CD PRO A 76 9.530 -6.561 2.017 1.00 0.00 C ATOM 0 HA PRO A 76 9.355 -9.839 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.328 -8.531 -0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.455 -8.706 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.716 -6.289 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.502 -6.404 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.300 -5.881 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.107 -6.111 2.915 1.00 0.00 H new ATOM 1229 N ASN A 77 10.371 -10.294 -0.432 1.00 0.00 N ATOM 1230 CA ASN A 77 11.303 -10.761 -1.444 1.00 0.00 C ATOM 1231 C ASN A 77 11.814 -9.565 -2.252 1.00 0.00 C ATOM 1232 O ASN A 77 11.025 -8.793 -2.791 1.00 0.00 O ATOM 1233 CB ASN A 77 10.622 -11.730 -2.414 1.00 0.00 C ATOM 1234 CG ASN A 77 9.784 -12.763 -1.659 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.221 -13.865 -1.371 1.00 0.00 O ATOM 1236 ND2 ASN A 77 8.558 -12.346 -1.355 1.00 0.00 N ATOM 0 H ASN A 77 9.488 -10.804 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 77 12.122 -11.272 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.986 -11.174 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.376 -12.238 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.920 -12.962 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.256 -11.410 -1.626 1.00 0.00 H new ATOM 1243 N LYS A 78 13.133 -9.451 -2.308 1.00 0.00 N ATOM 1244 CA LYS A 78 13.759 -8.365 -3.040 1.00 0.00 C ATOM 1245 C LYS A 78 13.800 -8.713 -4.530 1.00 0.00 C ATOM 1246 O LYS A 78 14.793 -9.255 -5.016 1.00 0.00 O ATOM 1247 CB LYS A 78 15.131 -8.039 -2.446 1.00 0.00 C ATOM 1248 CG LYS A 78 15.154 -6.627 -1.859 1.00 0.00 C ATOM 1249 CD LYS A 78 15.612 -5.606 -2.902 1.00 0.00 C ATOM 1250 CE LYS A 78 16.776 -4.765 -2.373 1.00 0.00 C ATOM 1251 NZ LYS A 78 17.632 -4.305 -3.487 1.00 0.00 N ATOM 0 H LYS A 78 13.785 -10.094 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 78 13.170 -7.453 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.376 -8.763 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.896 -8.128 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.160 -6.363 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.823 -6.598 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.916 -6.122 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.780 -4.955 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.391 -3.906 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.367 -5.353 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.417 -3.736 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.014 -5.129 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.068 -3.726 -4.142 1.00 0.00 H new ATOM 1265 N ARG A 79 12.711 -8.390 -5.211 1.00 0.00 N ATOM 1266 CA ARG A 79 12.610 -8.663 -6.635 1.00 0.00 C ATOM 1267 C ARG A 79 12.899 -7.396 -7.439 1.00 0.00 C ATOM 1268 O ARG A 79 13.263 -6.365 -6.874 1.00 0.00 O ATOM 1269 CB ARG A 79 11.218 -9.185 -6.997 1.00 0.00 C ATOM 1270 CG ARG A 79 11.093 -10.678 -6.689 1.00 0.00 C ATOM 1271 CD ARG A 79 11.886 -11.514 -7.695 1.00 0.00 C ATOM 1272 NE ARG A 79 12.022 -12.903 -7.203 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.865 -13.805 -7.725 1.00 0.00 C ATOM 1274 NH1 ARG A 79 13.650 -13.470 -8.757 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.921 -15.042 -7.214 1.00 0.00 N ATOM 0 H ARG A 79 11.890 -7.942 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 79 13.347 -9.428 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.462 -8.631 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.025 -9.011 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.455 -10.876 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.044 -10.971 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.382 -11.510 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.872 -11.075 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 79 11.438 -13.192 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.607 -12.528 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.291 -14.157 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.322 -15.297 -6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.562 -15.729 -7.611 1.00 0.00 H new ATOM 1289 N LYS A 80 12.726 -7.512 -8.749 1.00 0.00 N ATOM 1290 CA LYS A 80 12.964 -6.387 -9.637 1.00 0.00 C ATOM 1291 C LYS A 80 11.901 -5.314 -9.391 1.00 0.00 C ATOM 1292 O LYS A 80 12.224 -4.136 -9.252 1.00 0.00 O ATOM 1293 CB LYS A 80 13.036 -6.860 -11.091 1.00 0.00 C ATOM 1294 CG LYS A 80 14.036 -6.023 -11.891 1.00 0.00 C ATOM 1295 CD LYS A 80 14.135 -6.518 -13.335 1.00 0.00 C ATOM 1296 CE LYS A 80 15.068 -7.726 -13.437 1.00 0.00 C ATOM 1297 NZ LYS A 80 16.288 -7.377 -14.198 1.00 0.00 N ATOM 0 H LYS A 80 12.424 -8.367 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 80 13.931 -5.931 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.328 -7.910 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.049 -6.790 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.729 -4.977 -11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.017 -6.072 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.144 -6.788 -13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.502 -5.715 -13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.341 -8.067 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.551 -8.552 -13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.910 -8.208 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.024 -7.073 -15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.789 -6.604 -13.715 1.00 0.00 H new ATOM 1311 N GLY A 81 10.654 -5.761 -9.346 1.00 0.00 N ATOM 1312 CA GLY A 81 9.542 -4.853 -9.119 1.00 0.00 C ATOM 1313 C GLY A 81 9.512 -4.376 -7.667 1.00 0.00 C ATOM 1314 O GLY A 81 8.726 -3.497 -7.315 1.00 0.00 O ATOM 0 H GLY A 81 10.389 -6.739 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.627 -3.995 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.604 -5.353 -9.361 1.00 0.00 H new ATOM 1318 N PHE A 82 10.378 -4.974 -6.861 1.00 0.00 N ATOM 1319 CA PHE A 82 10.460 -4.621 -5.455 1.00 0.00 C ATOM 1320 C PHE A 82 11.320 -3.371 -5.254 1.00 0.00 C ATOM 1321 O PHE A 82 10.925 -2.449 -4.541 1.00 0.00 O ATOM 1322 CB PHE A 82 11.120 -5.799 -4.735 1.00 0.00 C ATOM 1323 CG PHE A 82 11.453 -5.523 -3.268 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.399 -4.599 -2.948 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.806 -6.203 -2.283 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.710 -4.344 -1.586 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.117 -5.948 -0.922 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.063 -5.023 -0.602 1.00 0.00 C ATOM 0 H PHE A 82 11.029 -5.701 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 82 9.464 -4.412 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.458 -6.663 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.037 -6.066 -5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.913 -4.060 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.056 -6.937 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.461 -3.610 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.603 -6.488 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.300 -4.829 0.434 1.00 0.00 H new ATOM 1338 N SER A 83 12.479 -3.379 -5.894 1.00 0.00 N ATOM 1339 CA SER A 83 13.398 -2.258 -5.795 1.00 0.00 C ATOM 1340 C SER A 83 12.794 -1.025 -6.468 1.00 0.00 C ATOM 1341 O SER A 83 12.704 0.039 -5.857 1.00 0.00 O ATOM 1342 CB SER A 83 14.751 -2.597 -6.422 1.00 0.00 C ATOM 1343 OG SER A 83 15.662 -1.504 -6.352 1.00 0.00 O ATOM 0 H SER A 83 12.804 -4.145 -6.484 1.00 0.00 H new ATOM 0 HA SER A 83 13.562 -2.043 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.180 -3.460 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.606 -2.882 -7.464 1.00 0.00 H new ATOM 0 HG SER A 83 16.514 -1.762 -6.762 1.00 0.00 H new ATOM 1349 N GLU A 84 12.394 -1.210 -7.719 1.00 0.00 N ATOM 1350 CA GLU A 84 11.801 -0.124 -8.482 1.00 0.00 C ATOM 1351 C GLU A 84 10.422 0.227 -7.920 1.00 0.00 C ATOM 1352 O GLU A 84 9.998 1.380 -7.981 1.00 0.00 O ATOM 1353 CB GLU A 84 11.714 -0.483 -9.966 1.00 0.00 C ATOM 1354 CG GLU A 84 10.399 -1.198 -10.281 1.00 0.00 C ATOM 1355 CD GLU A 84 10.363 -1.663 -11.739 1.00 0.00 C ATOM 1356 OE1 GLU A 84 11.413 -2.155 -12.204 1.00 0.00 O ATOM 1357 OE2 GLU A 84 9.286 -1.515 -12.355 1.00 0.00 O ATOM 0 H GLU A 84 12.469 -2.094 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 84 12.442 0.753 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.793 0.422 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.554 -1.122 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.280 -2.056 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.561 -0.528 -10.089 1.00 0.00 H new ATOM 1364 N GLY A 85 9.758 -0.789 -7.388 1.00 0.00 N ATOM 1365 CA GLY A 85 8.436 -0.602 -6.816 1.00 0.00 C ATOM 1366 C GLY A 85 8.496 0.282 -5.569 1.00 0.00 C ATOM 1367 O GLY A 85 7.805 1.296 -5.486 1.00 0.00 O ATOM 0 H GLY A 85 10.111 -1.745 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.777 -0.148 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.007 -1.571 -6.559 1.00 0.00 H new ATOM 1371 N LEU A 86 9.331 -0.135 -4.627 1.00 0.00 N ATOM 1372 CA LEU A 86 9.493 0.605 -3.388 1.00 0.00 C ATOM 1373 C LEU A 86 9.979 2.021 -3.703 1.00 0.00 C ATOM 1374 O LEU A 86 9.707 2.957 -2.954 1.00 0.00 O ATOM 1375 CB LEU A 86 10.403 -0.156 -2.422 1.00 0.00 C ATOM 1376 CG LEU A 86 11.287 0.701 -1.516 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.320 1.478 -2.334 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.440 1.624 -0.637 1.00 0.00 C ATOM 0 H LEU A 86 9.903 -0.977 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 86 8.535 0.702 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.780 -0.791 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.046 -0.816 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 86 11.837 0.037 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.936 2.080 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.953 0.778 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.808 2.131 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.093 2.222 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.845 2.283 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.777 1.025 -0.013 1.00 0.00 H new ATOM 1390 N TRP A 87 10.691 2.133 -4.816 1.00 0.00 N ATOM 1391 CA TRP A 87 11.218 3.418 -5.241 1.00 0.00 C ATOM 1392 C TRP A 87 10.135 4.127 -6.055 1.00 0.00 C ATOM 1393 O TRP A 87 10.160 5.349 -6.197 1.00 0.00 O ATOM 1394 CB TRP A 87 12.529 3.245 -6.010 1.00 0.00 C ATOM 1395 CG TRP A 87 13.725 3.953 -5.371 1.00 0.00 C ATOM 1396 CD1 TRP A 87 14.109 5.228 -5.526 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.683 3.371 -4.463 1.00 0.00 C ATOM 1398 NE1 TRP A 87 15.240 5.508 -4.787 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.601 4.344 -4.121 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.772 2.066 -3.947 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.672 4.114 -3.249 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.849 1.852 -3.079 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.780 2.819 -2.724 1.00 0.00 C ATOM 0 H TRP A 87 10.915 1.354 -5.436 1.00 0.00 H new ATOM 0 HA TRP A 87 11.466 4.038 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.752 2.181 -6.093 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.396 3.623 -7.024 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.598 5.945 -6.151 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.723 6.405 -4.739 1.00 0.00 H new ATOM 0 HE3 TRP A 87 14.065 1.290 -4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.377 4.892 -2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.964 0.865 -2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.584 2.574 -2.046 1.00 0.00 H new ATOM 1414 N GLU A 88 9.209 3.331 -6.568 1.00 0.00 N ATOM 1415 CA GLU A 88 8.118 3.869 -7.364 1.00 0.00 C ATOM 1416 C GLU A 88 7.128 4.618 -6.471 1.00 0.00 C ATOM 1417 O GLU A 88 6.406 5.498 -6.940 1.00 0.00 O ATOM 1418 CB GLU A 88 7.416 2.760 -8.152 1.00 0.00 C ATOM 1419 CG GLU A 88 8.020 2.613 -9.551 1.00 0.00 C ATOM 1420 CD GLU A 88 6.963 2.851 -10.631 1.00 0.00 C ATOM 1421 OE1 GLU A 88 6.420 3.977 -10.656 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.724 1.902 -11.408 1.00 0.00 O ATOM 0 H GLU A 88 9.191 2.318 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 88 8.533 4.575 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.503 1.816 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.352 2.984 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.838 3.323 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.444 1.615 -9.665 1.00 0.00 H new ATOM 1429 N ILE A 89 7.125 4.242 -5.201 1.00 0.00 N ATOM 1430 CA ILE A 89 6.234 4.868 -4.238 1.00 0.00 C ATOM 1431 C ILE A 89 7.010 5.914 -3.437 1.00 0.00 C ATOM 1432 O ILE A 89 6.516 7.018 -3.209 1.00 0.00 O ATOM 1433 CB ILE A 89 5.556 3.807 -3.368 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.977 4.430 -2.095 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.514 2.656 -3.059 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.085 4.754 -1.092 1.00 0.00 C ATOM 0 H ILE A 89 7.725 3.512 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 89 5.427 5.392 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 89 4.721 3.388 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.431 5.340 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.261 3.744 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.006 1.917 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.835 2.190 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.384 3.040 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.648 5.195 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.613 3.839 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.786 5.459 -1.539 1.00 0.00 H new ATOM 1448 N GLU A 90 8.213 5.532 -3.033 1.00 0.00 N ATOM 1449 CA GLU A 90 9.062 6.424 -2.262 1.00 0.00 C ATOM 1450 C GLU A 90 9.646 7.513 -3.165 1.00 0.00 C ATOM 1451 O GLU A 90 9.908 8.626 -2.713 1.00 0.00 O ATOM 1452 CB GLU A 90 10.172 5.647 -1.552 1.00 0.00 C ATOM 1453 CG GLU A 90 9.662 5.035 -0.245 1.00 0.00 C ATOM 1454 CD GLU A 90 9.263 6.126 0.752 1.00 0.00 C ATOM 1455 OE1 GLU A 90 8.088 6.547 0.690 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.141 6.513 1.552 1.00 0.00 O ATOM 0 H GLU A 90 8.620 4.617 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 90 8.452 6.903 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.545 4.859 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.010 6.312 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.805 4.393 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.436 4.404 0.192 1.00 0.00 H new ATOM 1463 N ASN A 91 9.835 7.152 -4.426 1.00 0.00 N ATOM 1464 CA ASN A 91 10.383 8.083 -5.398 1.00 0.00 C ATOM 1465 C ASN A 91 9.537 8.039 -6.672 1.00 0.00 C ATOM 1466 O ASN A 91 9.994 7.554 -7.707 1.00 0.00 O ATOM 1467 CB ASN A 91 11.820 7.709 -5.768 1.00 0.00 C ATOM 1468 CG ASN A 91 12.653 7.430 -4.518 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.641 8.088 -4.239 1.00 0.00 O ATOM 1470 ND2 ASN A 91 12.202 6.417 -3.782 1.00 0.00 N ATOM 0 H ASN A 91 9.618 6.227 -4.797 1.00 0.00 H new ATOM 0 HA ASN A 91 10.373 9.079 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.816 6.829 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.275 8.519 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.690 6.151 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.368 5.907 -4.073 1.00 0.00 H new ATOM 1477 N ASN A 92 8.323 8.555 -6.557 1.00 0.00 N ATOM 1478 CA ASN A 92 7.411 8.581 -7.688 1.00 0.00 C ATOM 1479 C ASN A 92 7.863 9.657 -8.677 1.00 0.00 C ATOM 1480 O ASN A 92 8.352 10.711 -8.272 1.00 0.00 O ATOM 1481 CB ASN A 92 5.987 8.917 -7.240 1.00 0.00 C ATOM 1482 CG ASN A 92 5.983 10.101 -6.270 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.813 10.994 -6.336 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.005 10.060 -5.370 1.00 0.00 N ATOM 0 H ASN A 92 7.949 8.959 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 92 7.419 7.594 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.374 9.153 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.538 8.047 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.916 10.805 -4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.344 9.283 -5.370 1.00 0.00 H new ATOM 1491 N PRO A 93 7.674 9.349 -9.988 1.00 0.00 N ATOM 1492 CA PRO A 93 8.057 10.278 -11.037 1.00 0.00 C ATOM 1493 C PRO A 93 7.062 11.438 -11.133 1.00 0.00 C ATOM 1494 O PRO A 93 7.451 12.573 -11.403 1.00 0.00 O ATOM 1495 CB PRO A 93 8.113 9.440 -12.304 1.00 0.00 C ATOM 1496 CG PRO A 93 7.315 8.182 -12.007 1.00 0.00 C ATOM 1497 CD PRO A 93 7.096 8.112 -10.504 1.00 0.00 C ATOM 0 HA PRO A 93 9.019 10.754 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 93 7.688 9.981 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.143 9.197 -12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.360 8.203 -12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.850 7.299 -12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.036 8.039 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.583 7.237 -10.073 1.00 0.00 H new ATOM 1505 N THR A 94 5.798 11.111 -10.904 1.00 0.00 N ATOM 1506 CA THR A 94 4.745 12.111 -10.960 1.00 0.00 C ATOM 1507 C THR A 94 3.723 11.872 -9.848 1.00 0.00 C ATOM 1508 O THR A 94 2.667 11.287 -10.085 1.00 0.00 O ATOM 1509 CB THR A 94 4.137 12.077 -12.364 1.00 0.00 C ATOM 1510 OG1 THR A 94 5.126 12.688 -13.187 1.00 0.00 O ATOM 1511 CG2 THR A 94 2.922 12.998 -12.497 1.00 0.00 C ATOM 0 H THR A 94 5.480 10.168 -10.679 1.00 0.00 H new ATOM 0 HA THR A 94 5.139 13.112 -10.785 1.00 0.00 H new ATOM 0 HB THR A 94 3.848 11.055 -12.609 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.813 12.706 -14.116 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.528 12.937 -13.512 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.152 12.689 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.219 14.025 -12.284 1.00 0.00 H new ATOM 1519 N VAL A 95 4.073 12.335 -8.657 1.00 0.00 N ATOM 1520 CA VAL A 95 3.199 12.179 -7.507 1.00 0.00 C ATOM 1521 C VAL A 95 1.851 12.843 -7.802 1.00 0.00 C ATOM 1522 O VAL A 95 1.718 14.061 -7.689 1.00 0.00 O ATOM 1523 CB VAL A 95 3.877 12.734 -6.254 1.00 0.00 C ATOM 1524 CG1 VAL A 95 4.116 14.241 -6.382 1.00 0.00 C ATOM 1525 CG2 VAL A 95 3.062 12.413 -5.000 1.00 0.00 C ATOM 0 H VAL A 95 4.950 12.818 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 95 3.007 11.123 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 95 4.847 12.247 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.599 14.611 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.757 14.436 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.162 14.750 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.567 12.819 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.071 12.858 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.966 11.332 -4.895 1.00 0.00 H new ATOM 1535 N LYS A 96 0.888 12.014 -8.174 1.00 0.00 N ATOM 1536 CA LYS A 96 -0.444 12.506 -8.485 1.00 0.00 C ATOM 1537 C LYS A 96 -1.096 13.041 -7.209 1.00 0.00 C ATOM 1538 O LYS A 96 -1.877 13.991 -7.258 1.00 0.00 O ATOM 1539 CB LYS A 96 -1.264 11.423 -9.188 1.00 0.00 C ATOM 1540 CG LYS A 96 -1.367 10.165 -8.322 1.00 0.00 C ATOM 1541 CD LYS A 96 -2.758 9.537 -8.434 1.00 0.00 C ATOM 1542 CE LYS A 96 -2.671 8.010 -8.441 1.00 0.00 C ATOM 1543 NZ LYS A 96 -3.239 7.464 -9.694 1.00 0.00 N ATOM 0 H LYS A 96 1.003 11.005 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.389 13.338 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.263 11.802 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.802 11.174 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.612 9.443 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.160 10.417 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.378 9.866 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.244 9.881 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.631 7.699 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.209 7.605 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.172 6.426 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.237 7.746 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.708 7.836 -10.507 1.00 0.00 H new ATOM 1557 N ALA A 97 -0.754 12.407 -6.097 1.00 0.00 N ATOM 1558 CA ALA A 97 -1.297 12.807 -4.809 1.00 0.00 C ATOM 1559 C ALA A 97 -0.303 12.440 -3.706 1.00 0.00 C ATOM 1560 O ALA A 97 0.633 11.677 -3.937 1.00 0.00 O ATOM 1561 CB ALA A 97 -2.664 12.152 -4.606 1.00 0.00 C ATOM 0 H ALA A 97 -0.107 11.619 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.445 13.886 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.071 12.452 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.341 12.469 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.556 11.068 -4.633 1.00 0.00 H new ATOM 1567 N SER A 98 -0.541 13.001 -2.530 1.00 0.00 N ATOM 1568 CA SER A 98 0.321 12.742 -1.388 1.00 0.00 C ATOM 1569 C SER A 98 -0.433 13.027 -0.087 1.00 0.00 C ATOM 1570 O SER A 98 -0.621 12.131 0.734 1.00 0.00 O ATOM 1571 CB SER A 98 1.596 13.585 -1.459 1.00 0.00 C ATOM 1572 OG SER A 98 2.769 12.777 -1.511 1.00 0.00 O ATOM 0 H SER A 98 -1.318 13.634 -2.342 1.00 0.00 H new ATOM 0 HA SER A 98 0.611 11.691 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.558 14.226 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.646 14.241 -0.590 1.00 0.00 H new ATOM 0 HG SER A 98 3.561 13.353 -1.557 1.00 0.00 H new ATOM 1578 N GLY A 99 -0.843 14.279 0.059 1.00 0.00 N ATOM 1579 CA GLY A 99 -1.572 14.694 1.245 1.00 0.00 C ATOM 1580 C GLY A 99 -3.077 14.493 1.063 1.00 0.00 C ATOM 1581 O GLY A 99 -3.504 13.614 0.314 1.00 0.00 O ATOM 0 H GLY A 99 -0.684 15.019 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.227 14.122 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.365 15.743 1.455 1.00 0.00 H new ATOM 1585 N TYR A 100 -3.842 15.320 1.760 1.00 0.00 N ATOM 1586 CA TYR A 100 -5.290 15.243 1.685 1.00 0.00 C ATOM 1587 C TYR A 100 -5.839 16.233 0.654 1.00 0.00 C ATOM 1588 O TYR A 100 -5.678 16.035 -0.548 1.00 0.00 O ATOM 1589 CB TYR A 100 -5.807 15.632 3.072 1.00 0.00 C ATOM 1590 CG TYR A 100 -6.749 16.836 3.070 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -7.917 16.798 2.335 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -6.432 17.961 3.804 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -8.805 17.931 2.333 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -7.320 19.095 3.802 1.00 0.00 C ATOM 1595 CZ TYR A 100 -8.463 19.024 3.068 1.00 0.00 C ATOM 1596 OH TYR A 100 -9.301 20.095 3.066 1.00 0.00 O ATOM 0 H TYR A 100 -3.485 16.047 2.380 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.605 14.243 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.326 14.778 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.956 15.851 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.165 15.917 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.519 17.991 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.721 17.914 1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.084 19.982 4.371 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.930 20.802 3.635 1.00 0.00 H new TER 1606 TYR A 100