USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= 0.705 K(o=0.061,f=-1.7) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.643 K(o=0.061,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.000353 (180deg=-0.118) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0568) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.023) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0517 (180deg=-0.281) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.05 F(o=-1.2,f=-0.05) USER MOD Single : A 15 ASN : amide:sc= -3.68! C(o=-3.7!,f=-9.5!) USER MOD Single : A 17 HIS : no HE2:sc= -0.868 X(o=-0.87,f=-0.63) USER MOD Single : A 19 ASN : amide:sc= -1.78 K(o=-1.8,f=-7.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.813 F(o=-2.5!,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0247) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0122 (180deg=-0.172) USER MOD Single : A 37 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -127:sc= -0.261 (180deg=-2.22) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.501) USER MOD Single : A 47 TYR OH : rot 10:sc= 1.19 USER MOD Single : A 48 CYS SG : rot 155:sc= -5.82! USER MOD Single : A 51 GLN : amide:sc= -2.6 K(o=-2.6,f=-6.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -104:sc= -2.57! (180deg=-5.1!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.76 F(o=-2.7!,f=-1.8) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.75! C(o=-5.3!,f=-2.7!) USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.717 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 78 MET CE :methyl -146:sc= -1.05 (180deg=-2.14) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.29 K(o=-2.3,f=-7.1!) USER MOD Single : A 90 GLN : amide:sc= 0.766 K(o=0.77,f=-0.025) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00432 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.562 -10.321 31.467 1.00 0.00 N ATOM 2 CA MET A 1 -0.375 -9.890 32.225 1.00 0.00 C ATOM 3 C MET A 1 0.764 -9.566 31.295 1.00 0.00 C ATOM 4 O MET A 1 1.544 -10.430 30.919 1.00 0.00 O ATOM 5 CB MET A 1 0.057 -10.959 33.221 1.00 0.00 C ATOM 6 CG MET A 1 -0.898 -11.135 34.376 1.00 0.00 C ATOM 7 SD MET A 1 -0.472 -12.546 35.419 1.00 0.00 S ATOM 8 CE MET A 1 -1.761 -12.458 36.655 1.00 0.00 C ATOM 0 H1 MET A 1 -2.391 -10.327 32.095 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.729 -9.663 30.679 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.405 -11.278 31.091 1.00 0.00 H new ATOM 0 HA MET A 1 -0.645 -8.990 32.778 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.159 -11.910 32.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.042 -10.702 33.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.902 -10.228 34.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.909 -11.265 33.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.632 -13.268 37.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.703 -11.501 37.173 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.734 -12.552 36.173 1.00 0.00 H new ATOM 18 N ALA A 2 0.829 -8.328 30.887 1.00 0.00 N ATOM 19 CA ALA A 2 1.895 -7.847 30.028 1.00 0.00 C ATOM 20 C ALA A 2 2.934 -7.122 30.853 1.00 0.00 C ATOM 21 O ALA A 2 3.195 -5.933 30.658 1.00 0.00 O ATOM 22 CB ALA A 2 1.336 -6.930 28.948 1.00 0.00 C ATOM 0 H ALA A 2 0.144 -7.615 31.138 1.00 0.00 H new ATOM 0 HA ALA A 2 2.366 -8.700 29.540 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.149 -6.578 28.313 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.614 -7.478 28.343 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.845 -6.076 29.414 1.00 0.00 H new ATOM 28 N ASP A 3 3.514 -7.830 31.796 1.00 0.00 N ATOM 29 CA ASP A 3 4.517 -7.254 32.680 1.00 0.00 C ATOM 30 C ASP A 3 5.897 -7.314 32.041 1.00 0.00 C ATOM 31 O ASP A 3 6.766 -6.477 32.311 1.00 0.00 O ATOM 32 CB ASP A 3 4.517 -7.971 34.030 1.00 0.00 C ATOM 33 CG ASP A 3 5.443 -7.318 35.034 1.00 0.00 C ATOM 34 OD1 ASP A 3 5.135 -6.189 35.488 1.00 0.00 O ATOM 35 OD2 ASP A 3 6.479 -7.926 35.380 1.00 0.00 O ATOM 0 H ASP A 3 3.310 -8.813 31.976 1.00 0.00 H new ATOM 0 HA ASP A 3 4.265 -6.207 32.847 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.503 -7.984 34.431 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.816 -9.009 33.886 1.00 0.00 H new ATOM 40 N GLU A 4 6.105 -8.308 31.189 1.00 0.00 N ATOM 41 CA GLU A 4 7.353 -8.451 30.474 1.00 0.00 C ATOM 42 C GLU A 4 7.362 -7.544 29.272 1.00 0.00 C ATOM 43 O GLU A 4 6.974 -7.940 28.163 1.00 0.00 O ATOM 44 CB GLU A 4 7.585 -9.900 30.053 1.00 0.00 C ATOM 45 CG GLU A 4 7.774 -10.849 31.218 1.00 0.00 C ATOM 46 CD GLU A 4 8.983 -10.501 32.056 1.00 0.00 C ATOM 47 OE1 GLU A 4 8.916 -9.530 32.839 1.00 0.00 O ATOM 48 OE2 GLU A 4 10.004 -11.204 31.951 1.00 0.00 O ATOM 0 H GLU A 4 5.416 -9.030 30.979 1.00 0.00 H new ATOM 0 HA GLU A 4 8.166 -8.165 31.142 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.737 -10.236 29.456 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.465 -9.946 29.411 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.883 -10.831 31.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.878 -11.866 30.841 1.00 0.00 H new ATOM 55 N LYS A 5 7.766 -6.309 29.507 1.00 0.00 N ATOM 56 CA LYS A 5 7.830 -5.276 28.484 1.00 0.00 C ATOM 57 C LYS A 5 6.442 -4.955 27.942 1.00 0.00 C ATOM 58 O LYS A 5 6.052 -5.428 26.872 1.00 0.00 O ATOM 59 CB LYS A 5 8.789 -5.659 27.350 1.00 0.00 C ATOM 60 CG LYS A 5 10.192 -5.987 27.828 1.00 0.00 C ATOM 61 CD LYS A 5 10.748 -4.883 28.706 1.00 0.00 C ATOM 62 CE LYS A 5 12.203 -5.131 29.069 1.00 0.00 C ATOM 63 NZ LYS A 5 12.386 -6.380 29.849 1.00 0.00 N ATOM 0 H LYS A 5 8.064 -5.988 30.428 1.00 0.00 H new ATOM 0 HA LYS A 5 8.226 -4.376 28.955 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.384 -6.520 26.818 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.840 -4.838 26.635 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.179 -6.925 28.384 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.846 -6.135 26.969 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.660 -3.928 28.189 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.154 -4.808 29.617 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.798 -5.185 28.157 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.580 -4.287 29.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.376 -6.454 30.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.763 -6.364 30.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.148 -7.199 29.254 1.00 0.00 H new ATOM 77 N PRO A 6 5.660 -4.173 28.703 1.00 0.00 N ATOM 78 CA PRO A 6 4.326 -3.778 28.292 1.00 0.00 C ATOM 79 C PRO A 6 4.374 -2.950 27.025 1.00 0.00 C ATOM 80 O PRO A 6 5.307 -2.169 26.811 1.00 0.00 O ATOM 81 CB PRO A 6 3.779 -2.945 29.456 1.00 0.00 C ATOM 82 CG PRO A 6 4.922 -2.702 30.390 1.00 0.00 C ATOM 83 CD PRO A 6 6.042 -3.633 30.012 1.00 0.00 C ATOM 0 HA PRO A 6 3.698 -4.642 28.074 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.367 -2.002 29.096 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.971 -3.473 29.963 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.251 -1.665 30.326 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.614 -2.876 31.421 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.994 -3.104 29.959 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.160 -4.428 30.748 1.00 0.00 H new ATOM 91 N LYS A 7 3.370 -3.086 26.186 1.00 0.00 N ATOM 92 CA LYS A 7 3.369 -2.407 24.909 1.00 0.00 C ATOM 93 C LYS A 7 2.535 -1.148 24.978 1.00 0.00 C ATOM 94 O LYS A 7 1.662 -0.902 24.141 1.00 0.00 O ATOM 95 CB LYS A 7 2.858 -3.342 23.814 1.00 0.00 C ATOM 96 CG LYS A 7 3.615 -4.662 23.743 1.00 0.00 C ATOM 97 CD LYS A 7 5.119 -4.441 23.626 1.00 0.00 C ATOM 98 CE LYS A 7 5.495 -3.715 22.344 1.00 0.00 C ATOM 99 NZ LYS A 7 5.289 -4.557 21.145 1.00 0.00 N ATOM 0 H LYS A 7 2.546 -3.659 26.365 1.00 0.00 H new ATOM 0 HA LYS A 7 4.392 -2.120 24.664 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.801 -3.547 23.985 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.933 -2.837 22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.402 -5.253 24.634 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.264 -5.238 22.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.468 -3.865 24.483 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.630 -5.403 23.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.899 -2.806 22.255 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.540 -3.408 22.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.637 -4.054 20.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.810 -5.450 21.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.275 -4.759 21.033 1.00 0.00 H new ATOM 113 N GLU A 8 2.813 -0.342 25.977 1.00 0.00 N ATOM 114 CA GLU A 8 2.105 0.902 26.166 1.00 0.00 C ATOM 115 C GLU A 8 2.629 1.962 25.209 1.00 0.00 C ATOM 116 O GLU A 8 3.720 1.826 24.645 1.00 0.00 O ATOM 117 CB GLU A 8 2.227 1.381 27.612 1.00 0.00 C ATOM 118 CG GLU A 8 1.676 0.397 28.628 1.00 0.00 C ATOM 119 CD GLU A 8 0.275 -0.058 28.292 1.00 0.00 C ATOM 120 OE1 GLU A 8 -0.649 0.782 28.309 1.00 0.00 O ATOM 121 OE2 GLU A 8 0.091 -1.259 28.008 1.00 0.00 O ATOM 0 H GLU A 8 3.531 -0.529 26.677 1.00 0.00 H new ATOM 0 HA GLU A 8 1.050 0.731 25.951 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.277 1.571 27.835 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.702 2.330 27.717 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.333 -0.471 28.682 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.677 0.860 29.615 1.00 0.00 H new ATOM 128 N GLY A 9 1.861 3.014 25.019 1.00 0.00 N ATOM 129 CA GLY A 9 2.263 4.062 24.118 1.00 0.00 C ATOM 130 C GLY A 9 1.084 4.820 23.565 1.00 0.00 C ATOM 131 O GLY A 9 0.284 4.273 22.803 1.00 0.00 O ATOM 0 H GLY A 9 0.961 3.162 25.475 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.925 4.753 24.640 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.835 3.632 23.296 1.00 0.00 H new ATOM 135 N VAL A 10 0.953 6.074 23.954 1.00 0.00 N ATOM 136 CA VAL A 10 -0.122 6.916 23.460 1.00 0.00 C ATOM 137 C VAL A 10 0.282 7.538 22.130 1.00 0.00 C ATOM 138 O VAL A 10 1.269 8.266 22.047 1.00 0.00 O ATOM 139 CB VAL A 10 -0.474 8.040 24.464 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.643 8.874 23.951 1.00 0.00 C ATOM 141 CG2 VAL A 10 -0.792 7.458 25.834 1.00 0.00 C ATOM 0 H VAL A 10 1.580 6.534 24.614 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.003 6.288 23.329 1.00 0.00 H new ATOM 0 HB VAL A 10 0.394 8.692 24.563 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.874 9.658 24.672 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.376 9.326 22.996 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.516 8.234 23.818 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.037 8.265 26.524 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.641 6.780 25.753 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.074 6.912 26.207 1.00 0.00 H new ATOM 151 N LYS A 11 -0.464 7.241 21.085 1.00 0.00 N ATOM 152 CA LYS A 11 -0.152 7.764 19.771 1.00 0.00 C ATOM 153 C LYS A 11 -1.273 8.663 19.247 1.00 0.00 C ATOM 154 O LYS A 11 -2.317 8.193 18.794 1.00 0.00 O ATOM 155 CB LYS A 11 0.187 6.628 18.766 1.00 0.00 C ATOM 156 CG LYS A 11 -0.938 5.617 18.498 1.00 0.00 C ATOM 157 CD LYS A 11 -1.060 4.557 19.596 1.00 0.00 C ATOM 158 CE LYS A 11 0.140 3.616 19.620 1.00 0.00 C ATOM 159 NZ LYS A 11 0.284 2.857 18.350 1.00 0.00 N ATOM 0 H LYS A 11 -1.289 6.642 21.120 1.00 0.00 H new ATOM 0 HA LYS A 11 0.741 8.381 19.871 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.476 7.081 17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.056 6.086 19.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.885 6.150 18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.757 5.124 17.543 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.155 5.048 20.565 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.971 3.979 19.441 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.047 4.192 19.802 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.035 2.917 20.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.938 2.061 18.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.645 2.493 18.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.659 3.485 17.611 1.00 0.00 H new ATOM 173 N THR A 12 -1.067 9.961 19.342 1.00 0.00 N ATOM 174 CA THR A 12 -2.039 10.918 18.864 1.00 0.00 C ATOM 175 C THR A 12 -1.627 11.440 17.490 1.00 0.00 C ATOM 176 O THR A 12 -0.545 12.009 17.327 1.00 0.00 O ATOM 177 CB THR A 12 -2.177 12.101 19.835 1.00 0.00 C ATOM 178 OG1 THR A 12 -2.234 11.614 21.186 1.00 0.00 O ATOM 179 CG2 THR A 12 -3.440 12.892 19.535 1.00 0.00 C ATOM 0 H THR A 12 -0.229 10.377 19.749 1.00 0.00 H new ATOM 0 HA THR A 12 -3.001 10.411 18.794 1.00 0.00 H new ATOM 0 HB THR A 12 -1.312 12.753 19.712 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.320 12.370 21.803 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.521 13.726 20.232 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.396 13.275 18.515 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.310 12.243 19.642 1.00 0.00 H new ATOM 187 N GLU A 13 -2.473 11.210 16.503 1.00 0.00 N ATOM 188 CA GLU A 13 -2.206 11.640 15.133 1.00 0.00 C ATOM 189 C GLU A 13 -2.032 13.156 15.016 1.00 0.00 C ATOM 190 O GLU A 13 -0.921 13.640 14.794 1.00 0.00 O ATOM 191 CB GLU A 13 -3.303 11.158 14.193 1.00 0.00 C ATOM 192 CG GLU A 13 -3.315 9.657 13.991 1.00 0.00 C ATOM 193 CD GLU A 13 -1.976 9.134 13.524 1.00 0.00 C ATOM 194 OE1 GLU A 13 -1.474 9.614 12.485 1.00 0.00 O ATOM 195 OE2 GLU A 13 -1.419 8.246 14.199 1.00 0.00 O ATOM 0 H GLU A 13 -3.361 10.723 16.622 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.260 11.185 14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.270 11.471 14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.180 11.645 13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.588 9.168 14.926 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.080 9.396 13.260 1.00 0.00 H new ATOM 202 N ASN A 14 -3.136 13.902 15.148 1.00 0.00 N ATOM 203 CA ASN A 14 -3.116 15.380 15.044 1.00 0.00 C ATOM 204 C ASN A 14 -2.426 15.848 13.765 1.00 0.00 C ATOM 205 O ASN A 14 -1.765 16.885 13.747 1.00 0.00 O ATOM 206 CB ASN A 14 -2.420 16.009 16.266 1.00 0.00 C ATOM 207 CG ASN A 14 -3.348 16.221 17.446 1.00 0.00 C ATOM 208 OD1 ASN A 14 -4.349 15.380 17.577 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 -3.158 17.148 18.237 1.00 0.00 N flip ATOM 0 H ASN A 14 -4.061 13.511 15.328 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.155 15.710 15.014 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.594 15.368 16.574 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.989 16.967 15.976 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.369 17.780 18.102 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.790 17.282 19.027 1.00 0.00 H new ATOM 216 N ASN A 15 -2.592 15.102 12.693 1.00 0.00 N ATOM 217 CA ASN A 15 -1.947 15.441 11.437 1.00 0.00 C ATOM 218 C ASN A 15 -2.852 15.124 10.262 1.00 0.00 C ATOM 219 O ASN A 15 -3.929 14.534 10.424 1.00 0.00 O ATOM 220 CB ASN A 15 -0.614 14.681 11.293 1.00 0.00 C ATOM 221 CG ASN A 15 -0.790 13.200 10.988 1.00 0.00 C ATOM 222 OD1 ASN A 15 -0.855 12.803 9.833 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.858 12.385 12.021 1.00 0.00 N ATOM 0 H ASN A 15 -3.166 14.259 12.663 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.745 16.512 11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.027 15.140 10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.042 14.789 12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.969 11.382 11.873 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.800 12.757 12.969 1.00 0.00 H new ATOM 230 N ASP A 16 -2.410 15.482 9.073 1.00 0.00 N ATOM 231 CA ASP A 16 -3.175 15.218 7.871 1.00 0.00 C ATOM 232 C ASP A 16 -2.810 13.855 7.332 1.00 0.00 C ATOM 233 O ASP A 16 -1.951 13.704 6.456 1.00 0.00 O ATOM 234 CB ASP A 16 -2.960 16.299 6.817 1.00 0.00 C ATOM 235 CG ASP A 16 -3.777 16.064 5.554 1.00 0.00 C ATOM 236 OD1 ASP A 16 -4.958 15.673 5.655 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.250 16.297 4.455 1.00 0.00 O ATOM 0 H ASP A 16 -1.522 15.958 8.913 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.235 15.231 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.223 17.269 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.902 16.341 6.557 1.00 0.00 H new ATOM 242 N HIS A 17 -3.419 12.858 7.905 1.00 0.00 N ATOM 243 CA HIS A 17 -3.181 11.483 7.533 1.00 0.00 C ATOM 244 C HIS A 17 -4.470 10.878 7.007 1.00 0.00 C ATOM 245 O HIS A 17 -5.560 11.240 7.455 1.00 0.00 O ATOM 246 CB HIS A 17 -2.679 10.671 8.755 1.00 0.00 C ATOM 247 CG HIS A 17 -3.761 10.301 9.739 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.322 11.196 10.628 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.410 9.130 9.932 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.267 10.587 11.318 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.340 9.339 10.914 1.00 0.00 N ATOM 0 H HIS A 17 -4.103 12.972 8.653 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.416 11.450 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.200 9.759 8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.915 11.251 9.273 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.049 12.173 10.734 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.228 8.203 9.409 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.878 11.038 12.086 1.00 0.00 H new ATOM 260 N ILE A 18 -4.370 9.984 6.064 1.00 0.00 N ATOM 261 CA ILE A 18 -5.542 9.322 5.548 1.00 0.00 C ATOM 262 C ILE A 18 -5.362 7.814 5.595 1.00 0.00 C ATOM 263 O ILE A 18 -4.235 7.307 5.663 1.00 0.00 O ATOM 264 CB ILE A 18 -5.883 9.769 4.104 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.678 9.582 3.183 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.355 11.220 4.087 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.982 9.837 1.722 1.00 0.00 C ATOM 0 H ILE A 18 -3.491 9.695 5.635 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.378 9.610 6.186 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.695 9.142 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.881 10.254 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.301 8.565 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.589 11.514 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.246 11.320 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.567 11.864 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.079 9.685 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.757 9.148 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.330 10.862 1.596 1.00 0.00 H new ATOM 279 N ASN A 19 -6.460 7.095 5.586 1.00 0.00 N ATOM 280 CA ASN A 19 -6.416 5.646 5.641 1.00 0.00 C ATOM 281 C ASN A 19 -6.503 5.077 4.244 1.00 0.00 C ATOM 282 O ASN A 19 -7.473 5.305 3.537 1.00 0.00 O ATOM 283 CB ASN A 19 -7.576 5.086 6.486 1.00 0.00 C ATOM 284 CG ASN A 19 -8.103 6.070 7.517 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.612 6.153 8.629 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.122 6.803 7.147 1.00 0.00 N ATOM 0 H ASN A 19 -7.400 7.488 5.541 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.473 5.356 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.391 4.795 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.241 4.182 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.532 7.472 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.506 6.705 6.207 1.00 0.00 H new ATOM 293 N LEU A 20 -5.495 4.353 3.830 1.00 0.00 N ATOM 294 CA LEU A 20 -5.506 3.732 2.524 1.00 0.00 C ATOM 295 C LEU A 20 -5.618 2.237 2.678 1.00 0.00 C ATOM 296 O LEU A 20 -4.824 1.610 3.380 1.00 0.00 O ATOM 297 CB LEU A 20 -4.246 4.078 1.714 1.00 0.00 C ATOM 298 CG LEU A 20 -4.085 5.542 1.279 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.392 6.103 0.753 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.541 6.388 2.406 1.00 0.00 C ATOM 0 H LEU A 20 -4.653 4.177 4.378 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.366 4.118 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.374 3.802 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.234 3.454 0.820 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.361 5.570 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.248 7.141 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.719 5.518 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.150 6.054 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.437 7.420 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.226 6.350 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.566 6.006 2.710 1.00 0.00 H new ATOM 312 N LYS A 21 -6.601 1.657 2.047 1.00 0.00 N ATOM 313 CA LYS A 21 -6.790 0.234 2.120 1.00 0.00 C ATOM 314 C LYS A 21 -6.346 -0.425 0.845 1.00 0.00 C ATOM 315 O LYS A 21 -6.598 0.068 -0.236 1.00 0.00 O ATOM 316 CB LYS A 21 -8.240 -0.102 2.419 1.00 0.00 C ATOM 317 CG LYS A 21 -8.563 -1.579 2.290 1.00 0.00 C ATOM 318 CD LYS A 21 -9.869 -1.908 2.953 1.00 0.00 C ATOM 319 CE LYS A 21 -11.008 -1.098 2.358 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.302 -1.394 3.007 1.00 0.00 N ATOM 0 H LYS A 21 -7.286 2.150 1.474 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.177 -0.149 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.479 0.226 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.881 0.462 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.608 -1.854 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.765 -2.169 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.079 -2.972 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.797 -1.708 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.787 -0.035 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.082 -1.308 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.050 -0.819 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.527 -2.402 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.241 -1.169 4.021 1.00 0.00 H new ATOM 334 N VAL A 22 -5.704 -1.551 0.970 1.00 0.00 N ATOM 335 CA VAL A 22 -5.192 -2.255 -0.177 1.00 0.00 C ATOM 336 C VAL A 22 -5.951 -3.551 -0.366 1.00 0.00 C ATOM 337 O VAL A 22 -6.037 -4.369 0.546 1.00 0.00 O ATOM 338 CB VAL A 22 -3.687 -2.554 -0.035 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.152 -3.177 -1.304 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.916 -1.290 0.308 1.00 0.00 C ATOM 0 H VAL A 22 -5.520 -2.007 1.863 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.329 -1.615 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.554 -3.264 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.088 -3.382 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.682 -4.109 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.300 -2.490 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.856 -1.525 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.055 -0.553 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.284 -0.884 1.250 1.00 0.00 H new ATOM 350 N ALA A 23 -6.491 -3.746 -1.549 1.00 0.00 N ATOM 351 CA ALA A 23 -7.277 -4.920 -1.840 1.00 0.00 C ATOM 352 C ALA A 23 -6.825 -5.567 -3.126 1.00 0.00 C ATOM 353 O ALA A 23 -6.840 -4.958 -4.199 1.00 0.00 O ATOM 354 CB ALA A 23 -8.752 -4.582 -1.900 1.00 0.00 C ATOM 0 H ALA A 23 -6.397 -3.098 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.125 -5.634 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.323 -5.484 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.072 -4.176 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.924 -3.843 -2.682 1.00 0.00 H new ATOM 360 N GLY A 24 -6.425 -6.799 -3.024 1.00 0.00 N ATOM 361 CA GLY A 24 -5.965 -7.522 -4.175 1.00 0.00 C ATOM 362 C GLY A 24 -7.049 -8.376 -4.745 1.00 0.00 C ATOM 363 O GLY A 24 -7.879 -8.897 -4.008 1.00 0.00 O ATOM 0 H GLY A 24 -6.407 -7.328 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.615 -6.821 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.114 -8.145 -3.900 1.00 0.00 H new ATOM 367 N GLN A 25 -7.053 -8.541 -6.059 1.00 0.00 N ATOM 368 CA GLN A 25 -8.075 -9.343 -6.729 1.00 0.00 C ATOM 369 C GLN A 25 -8.060 -10.829 -6.306 1.00 0.00 C ATOM 370 O GLN A 25 -8.943 -11.599 -6.680 1.00 0.00 O ATOM 371 CB GLN A 25 -8.013 -9.187 -8.264 1.00 0.00 C ATOM 372 CG GLN A 25 -6.609 -9.120 -8.869 1.00 0.00 C ATOM 373 CD GLN A 25 -5.755 -10.324 -8.552 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.801 -11.330 -9.254 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.933 -10.208 -7.528 1.00 0.00 N ATOM 0 H GLN A 25 -6.361 -8.131 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.033 -8.944 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.544 -10.024 -8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.551 -8.280 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.693 -9.020 -9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.108 -8.223 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.929 -9.353 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.301 -10.973 -7.292 1.00 0.00 H new ATOM 384 N ASP A 26 -7.061 -11.219 -5.520 1.00 0.00 N ATOM 385 CA ASP A 26 -6.965 -12.587 -5.005 1.00 0.00 C ATOM 386 C ASP A 26 -7.750 -12.712 -3.699 1.00 0.00 C ATOM 387 O ASP A 26 -7.892 -13.791 -3.132 1.00 0.00 O ATOM 388 CB ASP A 26 -5.498 -12.966 -4.774 1.00 0.00 C ATOM 389 CG ASP A 26 -5.327 -14.398 -4.286 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.709 -15.333 -5.019 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.805 -14.593 -3.169 1.00 0.00 O ATOM 0 H ASP A 26 -6.302 -10.606 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.391 -13.269 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.943 -12.835 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.062 -12.284 -4.044 1.00 0.00 H new ATOM 396 N GLY A 27 -8.274 -11.598 -3.233 1.00 0.00 N ATOM 397 CA GLY A 27 -9.032 -11.594 -1.995 1.00 0.00 C ATOM 398 C GLY A 27 -8.233 -11.057 -0.826 1.00 0.00 C ATOM 399 O GLY A 27 -8.776 -10.811 0.253 1.00 0.00 O ATOM 0 H GLY A 27 -8.191 -10.688 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.930 -10.990 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.360 -12.609 -1.771 1.00 0.00 H new ATOM 403 N SER A 28 -6.941 -10.872 -1.035 1.00 0.00 N ATOM 404 CA SER A 28 -6.063 -10.352 -0.004 1.00 0.00 C ATOM 405 C SER A 28 -6.299 -8.860 0.188 1.00 0.00 C ATOM 406 O SER A 28 -6.029 -8.064 -0.706 1.00 0.00 O ATOM 407 CB SER A 28 -4.609 -10.600 -0.391 1.00 0.00 C ATOM 408 OG SER A 28 -4.360 -11.983 -0.568 1.00 0.00 O ATOM 0 H SER A 28 -6.474 -11.077 -1.919 1.00 0.00 H new ATOM 0 HA SER A 28 -6.279 -10.865 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.378 -10.064 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.950 -10.204 0.382 1.00 0.00 H new ATOM 0 HG SER A 28 -3.422 -12.117 -0.817 1.00 0.00 H new ATOM 414 N VAL A 29 -6.808 -8.472 1.338 1.00 0.00 N ATOM 415 CA VAL A 29 -7.087 -7.074 1.583 1.00 0.00 C ATOM 416 C VAL A 29 -6.780 -6.665 3.033 1.00 0.00 C ATOM 417 O VAL A 29 -7.099 -7.382 3.986 1.00 0.00 O ATOM 418 CB VAL A 29 -8.550 -6.714 1.190 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.542 -7.663 1.822 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.879 -5.276 1.544 1.00 0.00 C ATOM 0 H VAL A 29 -7.035 -9.098 2.111 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.417 -6.499 0.944 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.629 -6.820 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.553 -7.382 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.336 -8.680 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.454 -7.612 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.907 -5.057 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.763 -5.130 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.203 -4.607 1.012 1.00 0.00 H new ATOM 430 N VAL A 30 -6.157 -5.497 3.183 1.00 0.00 N ATOM 431 CA VAL A 30 -5.747 -4.960 4.486 1.00 0.00 C ATOM 432 C VAL A 30 -5.888 -3.437 4.460 1.00 0.00 C ATOM 433 O VAL A 30 -5.762 -2.821 3.403 1.00 0.00 O ATOM 434 CB VAL A 30 -4.268 -5.324 4.840 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.925 -4.890 6.260 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.005 -6.811 4.670 1.00 0.00 C ATOM 0 H VAL A 30 -5.919 -4.889 2.399 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.390 -5.404 5.246 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.626 -4.784 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.891 -5.155 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.051 -3.811 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.587 -5.393 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.968 -7.028 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.666 -7.375 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.192 -7.098 3.635 1.00 0.00 H new ATOM 446 N GLN A 31 -6.147 -2.822 5.603 1.00 0.00 N ATOM 447 CA GLN A 31 -6.310 -1.379 5.657 1.00 0.00 C ATOM 448 C GLN A 31 -5.163 -0.739 6.431 1.00 0.00 C ATOM 449 O GLN A 31 -4.785 -1.201 7.509 1.00 0.00 O ATOM 450 CB GLN A 31 -7.657 -1.005 6.277 1.00 0.00 C ATOM 451 CG GLN A 31 -8.012 0.467 6.121 1.00 0.00 C ATOM 452 CD GLN A 31 -7.895 1.259 7.412 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.030 0.831 8.299 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -8.598 2.251 7.609 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.248 -3.296 6.500 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.291 -0.996 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.439 -1.609 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.642 -1.256 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.359 0.912 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.032 0.549 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.261 2.556 6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.517 2.768 8.485 1.00 0.00 H new ATOM 463 N PHE A 32 -4.626 0.338 5.894 1.00 0.00 N ATOM 464 CA PHE A 32 -3.476 1.011 6.497 1.00 0.00 C ATOM 465 C PHE A 32 -3.762 2.491 6.715 1.00 0.00 C ATOM 466 O PHE A 32 -4.737 3.034 6.200 1.00 0.00 O ATOM 467 CB PHE A 32 -2.231 0.860 5.603 1.00 0.00 C ATOM 468 CG PHE A 32 -1.934 -0.557 5.201 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.633 -1.148 4.164 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.964 -1.303 5.861 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.381 -2.441 3.791 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.706 -2.603 5.487 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.417 -3.173 4.451 1.00 0.00 C ATOM 0 H PHE A 32 -4.965 0.774 5.036 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.288 0.541 7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.367 1.461 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.367 1.266 6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.389 -0.581 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.408 -0.859 6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.937 -2.887 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.051 -3.175 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.218 -4.193 4.157 1.00 0.00 H new ATOM 483 N LYS A 33 -2.915 3.140 7.488 1.00 0.00 N ATOM 484 CA LYS A 33 -3.028 4.567 7.753 1.00 0.00 C ATOM 485 C LYS A 33 -1.675 5.232 7.607 1.00 0.00 C ATOM 486 O LYS A 33 -0.730 4.891 8.316 1.00 0.00 O ATOM 487 CB LYS A 33 -3.559 4.818 9.163 1.00 0.00 C ATOM 488 CG LYS A 33 -5.070 4.753 9.292 1.00 0.00 C ATOM 489 CD LYS A 33 -5.519 5.094 10.709 1.00 0.00 C ATOM 490 CE LYS A 33 -4.943 4.137 11.743 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.470 2.759 11.587 1.00 0.00 N ATOM 0 H LYS A 33 -2.125 2.694 7.954 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.726 4.989 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.118 4.085 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.221 5.800 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.528 5.446 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.417 3.754 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.213 6.112 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.608 5.068 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.857 4.121 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.176 4.502 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.103 2.158 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.509 2.778 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.168 2.374 10.670 1.00 0.00 H new ATOM 505 N ILE A 34 -1.568 6.174 6.689 1.00 0.00 N ATOM 506 CA ILE A 34 -0.317 6.891 6.488 1.00 0.00 C ATOM 507 C ILE A 34 -0.574 8.378 6.365 1.00 0.00 C ATOM 508 O ILE A 34 -1.722 8.820 6.267 1.00 0.00 O ATOM 509 CB ILE A 34 0.462 6.407 5.238 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.397 6.542 3.983 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.942 4.970 5.417 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.357 6.281 2.699 1.00 0.00 C ATOM 0 H ILE A 34 -2.327 6.462 6.072 1.00 0.00 H new ATOM 0 HA ILE A 34 0.298 6.684 7.364 1.00 0.00 H new ATOM 0 HB ILE A 34 1.341 7.041 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.234 5.847 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.819 7.547 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.486 4.654 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.600 4.912 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.083 4.316 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.318 6.395 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.178 6.992 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.756 5.267 2.711 1.00 0.00 H new ATOM 524 N LYS A 35 0.482 9.154 6.368 1.00 0.00 N ATOM 525 CA LYS A 35 0.371 10.587 6.275 1.00 0.00 C ATOM 526 C LYS A 35 0.223 11.002 4.809 1.00 0.00 C ATOM 527 O LYS A 35 0.677 10.300 3.913 1.00 0.00 O ATOM 528 CB LYS A 35 1.612 11.236 6.904 1.00 0.00 C ATOM 529 CG LYS A 35 1.354 12.573 7.566 1.00 0.00 C ATOM 530 CD LYS A 35 1.402 13.731 6.585 1.00 0.00 C ATOM 531 CE LYS A 35 1.138 15.056 7.282 1.00 0.00 C ATOM 532 NZ LYS A 35 2.211 15.398 8.257 1.00 0.00 N ATOM 0 H LYS A 35 1.440 8.810 6.435 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.513 10.924 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.028 10.553 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.369 11.368 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.377 12.552 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.094 12.735 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.378 13.760 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.662 13.577 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.059 15.848 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.180 15.009 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.104 16.388 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.138 14.774 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.141 15.271 7.809 1.00 0.00 H new ATOM 546 N ARG A 36 -0.419 12.144 4.574 1.00 0.00 N ATOM 547 CA ARG A 36 -0.640 12.678 3.221 1.00 0.00 C ATOM 548 C ARG A 36 0.671 12.809 2.424 1.00 0.00 C ATOM 549 O ARG A 36 0.666 12.776 1.193 1.00 0.00 O ATOM 550 CB ARG A 36 -1.304 14.053 3.312 1.00 0.00 C ATOM 551 CG ARG A 36 -1.712 14.650 1.973 1.00 0.00 C ATOM 552 CD ARG A 36 -3.084 14.168 1.545 1.00 0.00 C ATOM 553 NE ARG A 36 -4.105 14.595 2.495 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.417 14.574 2.276 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.899 14.184 1.098 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.248 14.962 3.237 1.00 0.00 N ATOM 0 H ARG A 36 -0.804 12.731 5.314 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.285 11.973 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.189 13.974 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.619 14.741 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.713 15.738 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.977 14.380 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.318 14.557 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.084 13.081 1.469 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.787 14.938 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.261 13.898 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.906 14.171 0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.879 15.273 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.255 14.949 3.076 1.00 0.00 H new ATOM 570 N HIS A 37 1.795 12.931 3.118 1.00 0.00 N ATOM 571 CA HIS A 37 3.080 13.132 2.465 1.00 0.00 C ATOM 572 C HIS A 37 3.913 11.852 2.539 1.00 0.00 C ATOM 573 O HIS A 37 4.993 11.753 1.961 1.00 0.00 O ATOM 574 CB HIS A 37 3.822 14.301 3.143 1.00 0.00 C ATOM 575 CG HIS A 37 5.148 14.646 2.531 1.00 0.00 C ATOM 576 ND1 HIS A 37 5.278 15.385 1.382 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.408 14.352 2.929 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.557 15.532 1.097 1.00 0.00 C ATOM 579 NE2 HIS A 37 7.265 14.915 2.022 1.00 0.00 N ATOM 0 H HIS A 37 1.842 12.894 4.136 1.00 0.00 H new ATOM 0 HA HIS A 37 2.920 13.375 1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.184 15.184 3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.976 14.054 4.193 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.686 13.779 3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.957 16.068 0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.283 14.865 2.056 1.00 0.00 H new ATOM 588 N THR A 38 3.395 10.870 3.240 1.00 0.00 N ATOM 589 CA THR A 38 4.076 9.617 3.410 1.00 0.00 C ATOM 590 C THR A 38 3.922 8.744 2.160 1.00 0.00 C ATOM 591 O THR A 38 2.820 8.578 1.649 1.00 0.00 O ATOM 592 CB THR A 38 3.541 8.878 4.657 1.00 0.00 C ATOM 593 OG1 THR A 38 3.985 9.550 5.843 1.00 0.00 O ATOM 594 CG2 THR A 38 4.002 7.433 4.675 1.00 0.00 C ATOM 0 H THR A 38 2.489 10.922 3.707 1.00 0.00 H new ATOM 0 HA THR A 38 5.137 9.819 3.556 1.00 0.00 H new ATOM 0 HB THR A 38 2.452 8.884 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.643 9.081 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.611 6.937 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.636 6.923 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.091 7.399 4.691 1.00 0.00 H new ATOM 602 N PRO A 39 5.036 8.188 1.653 1.00 0.00 N ATOM 603 CA PRO A 39 5.029 7.360 0.445 1.00 0.00 C ATOM 604 C PRO A 39 4.249 6.063 0.636 1.00 0.00 C ATOM 605 O PRO A 39 4.241 5.472 1.726 1.00 0.00 O ATOM 606 CB PRO A 39 6.514 7.065 0.197 1.00 0.00 C ATOM 607 CG PRO A 39 7.161 7.240 1.526 1.00 0.00 C ATOM 608 CD PRO A 39 6.388 8.319 2.225 1.00 0.00 C ATOM 0 HA PRO A 39 4.541 7.865 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.659 6.054 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.935 7.747 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.137 6.311 2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.209 7.520 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.384 8.176 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.812 9.305 2.036 1.00 0.00 H new ATOM 616 N LEU A 40 3.601 5.609 -0.428 1.00 0.00 N ATOM 617 CA LEU A 40 2.794 4.400 -0.388 1.00 0.00 C ATOM 618 C LEU A 40 3.643 3.165 -0.134 1.00 0.00 C ATOM 619 O LEU A 40 3.125 2.116 0.246 1.00 0.00 O ATOM 620 CB LEU A 40 2.009 4.227 -1.685 1.00 0.00 C ATOM 621 CG LEU A 40 1.050 5.367 -2.054 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.180 4.966 -3.223 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.191 5.763 -0.866 1.00 0.00 C ATOM 0 H LEU A 40 3.620 6.067 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 40 2.095 4.510 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.720 4.100 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.434 3.304 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 40 1.648 6.232 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.494 5.785 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.809 4.739 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.403 4.084 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.479 6.573 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.396 4.905 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.831 6.096 -0.049 1.00 0.00 H new ATOM 635 N SER A 41 4.952 3.290 -0.339 1.00 0.00 N ATOM 636 CA SER A 41 5.889 2.187 -0.154 1.00 0.00 C ATOM 637 C SER A 41 5.698 1.513 1.196 1.00 0.00 C ATOM 638 O SER A 41 5.771 0.289 1.306 1.00 0.00 O ATOM 639 CB SER A 41 7.323 2.700 -0.279 1.00 0.00 C ATOM 640 OG SER A 41 7.538 3.814 0.576 1.00 0.00 O ATOM 0 H SER A 41 5.392 4.160 -0.638 1.00 0.00 H new ATOM 0 HA SER A 41 5.694 1.446 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.022 1.903 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.523 2.985 -1.312 1.00 0.00 H new ATOM 0 HG SER A 41 8.462 4.125 0.481 1.00 0.00 H new ATOM 646 N LYS A 42 5.434 2.313 2.222 1.00 0.00 N ATOM 647 CA LYS A 42 5.237 1.801 3.571 1.00 0.00 C ATOM 648 C LYS A 42 4.127 0.756 3.600 1.00 0.00 C ATOM 649 O LYS A 42 4.329 -0.367 4.058 1.00 0.00 O ATOM 650 CB LYS A 42 4.889 2.949 4.524 1.00 0.00 C ATOM 651 CG LYS A 42 5.860 4.138 4.500 1.00 0.00 C ATOM 652 CD LYS A 42 7.262 3.778 4.999 1.00 0.00 C ATOM 653 CE LYS A 42 8.160 3.254 3.883 1.00 0.00 C ATOM 654 NZ LYS A 42 9.543 3.004 4.360 1.00 0.00 N ATOM 0 H LYS A 42 5.351 3.327 2.143 1.00 0.00 H new ATOM 0 HA LYS A 42 6.166 1.330 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.890 3.312 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.847 2.556 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.930 4.522 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.457 4.941 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.722 4.658 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.183 3.024 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.741 2.331 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.182 3.975 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.123 2.649 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.952 3.890 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.525 2.297 5.123 1.00 0.00 H new ATOM 668 N LEU A 43 2.960 1.112 3.081 1.00 0.00 N ATOM 669 CA LEU A 43 1.838 0.189 3.067 1.00 0.00 C ATOM 670 C LEU A 43 2.016 -0.884 2.012 1.00 0.00 C ATOM 671 O LEU A 43 1.566 -2.009 2.184 1.00 0.00 O ATOM 672 CB LEU A 43 0.480 0.919 2.923 1.00 0.00 C ATOM 673 CG LEU A 43 0.250 1.793 1.671 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.018 0.945 0.434 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.911 2.727 1.908 1.00 0.00 C ATOM 0 H LEU A 43 2.768 2.025 2.668 1.00 0.00 H new ATOM 0 HA LEU A 43 1.822 -0.307 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.307 0.166 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.348 1.553 3.800 1.00 0.00 H new ATOM 0 HG LEU A 43 1.159 2.368 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.175 1.596 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.837 0.295 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.908 0.337 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.070 3.342 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.810 2.145 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.693 3.369 2.761 1.00 0.00 H new ATOM 687 N MET A 44 2.675 -0.534 0.912 1.00 0.00 N ATOM 688 CA MET A 44 2.898 -1.480 -0.171 1.00 0.00 C ATOM 689 C MET A 44 3.690 -2.679 0.298 1.00 0.00 C ATOM 690 O MET A 44 3.257 -3.818 0.155 1.00 0.00 O ATOM 691 CB MET A 44 3.637 -0.823 -1.323 1.00 0.00 C ATOM 692 CG MET A 44 2.802 0.115 -2.156 1.00 0.00 C ATOM 693 SD MET A 44 3.667 0.635 -3.639 1.00 0.00 S ATOM 694 CE MET A 44 2.460 1.726 -4.366 1.00 0.00 C ATOM 0 H MET A 44 3.062 0.395 0.749 1.00 0.00 H new ATOM 0 HA MET A 44 1.916 -1.812 -0.510 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.488 -0.272 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.038 -1.603 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.869 -0.376 -2.432 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.538 0.991 -1.563 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.273 1.426 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.531 1.671 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.836 2.749 -4.348 1.00 0.00 H new ATOM 704 N LYS A 45 4.847 -2.426 0.878 1.00 0.00 N ATOM 705 CA LYS A 45 5.698 -3.494 1.347 1.00 0.00 C ATOM 706 C LYS A 45 5.039 -4.218 2.522 1.00 0.00 C ATOM 707 O LYS A 45 5.095 -5.441 2.618 1.00 0.00 O ATOM 708 CB LYS A 45 7.069 -2.951 1.758 1.00 0.00 C ATOM 709 CG LYS A 45 7.719 -2.040 0.724 1.00 0.00 C ATOM 710 CD LYS A 45 8.262 -2.821 -0.460 1.00 0.00 C ATOM 711 CE LYS A 45 9.504 -3.619 -0.082 1.00 0.00 C ATOM 712 NZ LYS A 45 10.611 -2.740 0.375 1.00 0.00 N ATOM 0 H LYS A 45 5.217 -1.488 1.034 1.00 0.00 H new ATOM 0 HA LYS A 45 5.841 -4.204 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.964 -2.402 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.735 -3.791 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.989 -1.311 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.529 -1.481 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.494 -3.498 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.503 -2.133 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.254 -4.327 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.835 -4.203 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.512 -3.256 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.655 -1.895 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.442 -2.453 1.360 1.00 0.00 H new ATOM 726 N ALA A 46 4.383 -3.451 3.401 1.00 0.00 N ATOM 727 CA ALA A 46 3.706 -4.007 4.576 1.00 0.00 C ATOM 728 C ALA A 46 2.602 -4.974 4.172 1.00 0.00 C ATOM 729 O ALA A 46 2.509 -6.087 4.695 1.00 0.00 O ATOM 730 CB ALA A 46 3.134 -2.896 5.436 1.00 0.00 C ATOM 0 H ALA A 46 4.307 -2.437 3.319 1.00 0.00 H new ATOM 0 HA ALA A 46 4.447 -4.558 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.635 -3.328 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.940 -2.242 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.415 -2.319 4.854 1.00 0.00 H new ATOM 736 N TYR A 47 1.755 -4.546 3.241 1.00 0.00 N ATOM 737 CA TYR A 47 0.666 -5.368 2.731 1.00 0.00 C ATOM 738 C TYR A 47 1.185 -6.691 2.199 1.00 0.00 C ATOM 739 O TYR A 47 0.704 -7.750 2.573 1.00 0.00 O ATOM 740 CB TYR A 47 -0.089 -4.600 1.628 1.00 0.00 C ATOM 741 CG TYR A 47 -0.998 -5.447 0.759 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.320 -5.683 1.119 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.535 -5.998 -0.433 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.151 -6.444 0.318 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.358 -6.759 -1.233 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.662 -6.980 -0.857 1.00 0.00 C ATOM 747 OH TYR A 47 -3.484 -7.735 -1.659 1.00 0.00 O ATOM 0 H TYR A 47 1.805 -3.619 2.819 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.020 -5.586 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.686 -3.817 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.641 -4.104 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.704 -5.266 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.487 -5.826 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.176 -6.618 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.980 -7.181 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.408 -7.661 -1.342 1.00 0.00 H new ATOM 757 N CYS A 48 2.179 -6.629 1.352 1.00 0.00 N ATOM 758 CA CYS A 48 2.731 -7.817 0.736 1.00 0.00 C ATOM 759 C CYS A 48 3.364 -8.748 1.764 1.00 0.00 C ATOM 760 O CYS A 48 3.304 -9.963 1.631 1.00 0.00 O ATOM 761 CB CYS A 48 3.731 -7.415 -0.315 1.00 0.00 C ATOM 762 SG CYS A 48 3.072 -6.217 -1.468 1.00 0.00 S ATOM 0 H CYS A 48 2.630 -5.760 1.068 1.00 0.00 H new ATOM 0 HA CYS A 48 1.918 -8.372 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.615 -7.000 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.054 -8.301 -0.862 1.00 0.00 H new ATOM 0 HG CYS A 48 4.046 -5.523 -1.977 1.00 0.00 H new ATOM 768 N GLU A 49 3.954 -8.179 2.797 1.00 0.00 N ATOM 769 CA GLU A 49 4.569 -8.965 3.848 1.00 0.00 C ATOM 770 C GLU A 49 3.527 -9.753 4.635 1.00 0.00 C ATOM 771 O GLU A 49 3.742 -10.908 4.983 1.00 0.00 O ATOM 772 CB GLU A 49 5.387 -8.069 4.779 1.00 0.00 C ATOM 773 CG GLU A 49 6.650 -7.540 4.137 1.00 0.00 C ATOM 774 CD GLU A 49 7.581 -6.881 5.126 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.082 -7.581 6.027 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.850 -5.666 4.985 1.00 0.00 O ATOM 0 H GLU A 49 4.020 -7.170 2.931 1.00 0.00 H new ATOM 0 HA GLU A 49 5.241 -9.683 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.770 -7.229 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.650 -8.631 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.172 -8.360 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.384 -6.821 3.362 1.00 0.00 H new ATOM 783 N ARG A 50 2.386 -9.141 4.894 1.00 0.00 N ATOM 784 CA ARG A 50 1.331 -9.799 5.649 1.00 0.00 C ATOM 785 C ARG A 50 0.428 -10.639 4.742 1.00 0.00 C ATOM 786 O ARG A 50 -0.246 -11.554 5.197 1.00 0.00 O ATOM 787 CB ARG A 50 0.515 -8.766 6.437 1.00 0.00 C ATOM 788 CG ARG A 50 -0.037 -7.631 5.589 1.00 0.00 C ATOM 789 CD ARG A 50 -0.429 -6.436 6.442 1.00 0.00 C ATOM 790 NE ARG A 50 0.695 -5.937 7.243 1.00 0.00 N ATOM 791 CZ ARG A 50 0.570 -5.232 8.376 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.636 -4.997 8.894 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.657 -4.789 9.002 1.00 0.00 N ATOM 0 H ARG A 50 2.165 -8.191 4.594 1.00 0.00 H new ATOM 0 HA ARG A 50 1.800 -10.482 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.314 -9.274 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.143 -8.346 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.710 -7.326 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.906 -7.982 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.798 -5.637 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.249 -6.717 7.103 1.00 0.00 H new ATOM 0 HE ARG A 50 1.639 -6.141 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.470 -5.354 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.725 -4.460 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.582 -4.986 8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.566 -4.252 9.864 1.00 0.00 H new ATOM 807 N GLN A 51 0.409 -10.325 3.453 1.00 0.00 N ATOM 808 CA GLN A 51 -0.409 -11.070 2.495 1.00 0.00 C ATOM 809 C GLN A 51 0.404 -12.131 1.773 1.00 0.00 C ATOM 810 O GLN A 51 -0.112 -12.857 0.926 1.00 0.00 O ATOM 811 CB GLN A 51 -1.078 -10.123 1.500 1.00 0.00 C ATOM 812 CG GLN A 51 -2.064 -9.165 2.152 1.00 0.00 C ATOM 813 CD GLN A 51 -3.065 -9.872 3.047 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.139 -10.266 2.612 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.707 -10.044 4.302 1.00 0.00 N ATOM 0 H GLN A 51 0.948 -9.562 3.044 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.190 -11.582 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.310 -9.547 0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.599 -10.710 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.515 -8.429 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.600 -8.618 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.803 -9.701 4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.334 -10.521 4.950 1.00 0.00 H new ATOM 824 N GLY A 52 1.682 -12.221 2.114 1.00 0.00 N ATOM 825 CA GLY A 52 2.552 -13.216 1.507 1.00 0.00 C ATOM 826 C GLY A 52 2.682 -13.018 0.014 1.00 0.00 C ATOM 827 O GLY A 52 2.600 -13.966 -0.765 1.00 0.00 O ATOM 0 H GLY A 52 2.136 -11.621 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.539 -13.164 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.159 -14.213 1.708 1.00 0.00 H new ATOM 831 N LEU A 53 2.883 -11.785 -0.387 1.00 0.00 N ATOM 832 CA LEU A 53 2.990 -11.439 -1.783 1.00 0.00 C ATOM 833 C LEU A 53 4.345 -10.826 -2.078 1.00 0.00 C ATOM 834 O LEU A 53 5.024 -10.318 -1.183 1.00 0.00 O ATOM 835 CB LEU A 53 1.877 -10.464 -2.168 1.00 0.00 C ATOM 836 CG LEU A 53 0.452 -11.017 -2.084 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.568 -9.916 -2.241 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.228 -12.110 -3.113 1.00 0.00 C ATOM 0 H LEU A 53 2.977 -10.992 0.248 1.00 0.00 H new ATOM 0 HA LEU A 53 2.886 -12.349 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.946 -9.589 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.055 -10.122 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 53 0.325 -11.455 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.571 -10.338 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.433 -9.179 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.438 -9.435 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.792 -12.484 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.386 -11.706 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.929 -12.926 -2.936 1.00 0.00 H new ATOM 850 N SER A 54 4.748 -10.887 -3.327 1.00 0.00 N ATOM 851 CA SER A 54 6.003 -10.332 -3.757 1.00 0.00 C ATOM 852 C SER A 54 5.774 -9.054 -4.547 1.00 0.00 C ATOM 853 O SER A 54 4.962 -9.026 -5.464 1.00 0.00 O ATOM 854 CB SER A 54 6.732 -11.353 -4.609 1.00 0.00 C ATOM 855 OG SER A 54 7.234 -12.413 -3.816 1.00 0.00 O ATOM 0 H SER A 54 4.209 -11.326 -4.073 1.00 0.00 H new ATOM 0 HA SER A 54 6.608 -10.088 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.055 -11.750 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.553 -10.870 -5.138 1.00 0.00 H new ATOM 0 HG SER A 54 7.698 -13.059 -4.389 1.00 0.00 H new ATOM 861 N MET A 55 6.515 -7.999 -4.209 1.00 0.00 N ATOM 862 CA MET A 55 6.373 -6.689 -4.872 1.00 0.00 C ATOM 863 C MET A 55 6.633 -6.798 -6.382 1.00 0.00 C ATOM 864 O MET A 55 6.183 -5.969 -7.167 1.00 0.00 O ATOM 865 CB MET A 55 7.344 -5.659 -4.252 1.00 0.00 C ATOM 866 CG MET A 55 7.188 -5.461 -2.754 1.00 0.00 C ATOM 867 SD MET A 55 5.610 -4.721 -2.308 1.00 0.00 S ATOM 868 CE MET A 55 5.710 -3.124 -3.110 1.00 0.00 C ATOM 0 H MET A 55 7.225 -8.020 -3.477 1.00 0.00 H new ATOM 0 HA MET A 55 5.347 -6.353 -4.720 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.367 -5.974 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.200 -4.699 -4.749 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.287 -6.424 -2.253 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.997 -4.828 -2.390 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.918 -2.355 -2.366 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.510 -3.138 -3.850 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.763 -2.905 -3.603 1.00 0.00 H new ATOM 878 N ARG A 56 7.376 -7.824 -6.783 1.00 0.00 N ATOM 879 CA ARG A 56 7.690 -8.038 -8.193 1.00 0.00 C ATOM 880 C ARG A 56 6.567 -8.805 -8.902 1.00 0.00 C ATOM 881 O ARG A 56 6.271 -8.565 -10.071 1.00 0.00 O ATOM 882 CB ARG A 56 9.022 -8.798 -8.365 1.00 0.00 C ATOM 883 CG ARG A 56 10.207 -8.189 -7.624 1.00 0.00 C ATOM 884 CD ARG A 56 10.362 -8.780 -6.227 1.00 0.00 C ATOM 885 NE ARG A 56 10.750 -10.193 -6.267 1.00 0.00 N ATOM 886 CZ ARG A 56 10.688 -11.035 -5.226 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.283 -10.606 -4.033 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.045 -12.303 -5.378 1.00 0.00 N ATOM 0 H ARG A 56 7.772 -8.521 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 56 7.788 -7.053 -8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.886 -9.824 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.262 -8.846 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.120 -8.360 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.074 -7.110 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.112 -8.214 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.422 -8.678 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 56 11.093 -10.563 -7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.017 -9.630 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.239 -11.254 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.367 -12.637 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.998 -12.944 -4.586 1.00 0.00 H new ATOM 902 N GLN A 57 5.924 -9.715 -8.177 1.00 0.00 N ATOM 903 CA GLN A 57 4.884 -10.578 -8.749 1.00 0.00 C ATOM 904 C GLN A 57 3.516 -9.932 -8.668 1.00 0.00 C ATOM 905 O GLN A 57 2.578 -10.352 -9.339 1.00 0.00 O ATOM 906 CB GLN A 57 4.869 -11.939 -8.043 1.00 0.00 C ATOM 907 CG GLN A 57 5.938 -12.896 -8.524 1.00 0.00 C ATOM 908 CD GLN A 57 7.226 -12.741 -7.772 1.00 0.00 C ATOM 909 OE1 GLN A 57 8.038 -11.828 -8.205 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 7.469 -13.425 -6.789 1.00 0.00 N flip ATOM 0 H GLN A 57 6.103 -9.878 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 57 5.122 -10.726 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.993 -11.782 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.892 -12.400 -8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.579 -13.920 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.119 -12.730 -9.586 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.802 -14.133 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.339 -13.288 -6.275 1.00 0.00 H new ATOM 919 N ILE A 58 3.390 -8.927 -7.833 1.00 0.00 N ATOM 920 CA ILE A 58 2.133 -8.223 -7.697 1.00 0.00 C ATOM 921 C ILE A 58 2.309 -6.770 -8.116 1.00 0.00 C ATOM 922 O ILE A 58 3.429 -6.324 -8.375 1.00 0.00 O ATOM 923 CB ILE A 58 1.588 -8.292 -6.249 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.310 -7.300 -5.352 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.752 -9.700 -5.707 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.588 -7.046 -4.062 1.00 0.00 C ATOM 0 H ILE A 58 4.141 -8.578 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 58 1.406 -8.710 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 58 0.530 -8.031 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.310 -7.675 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.432 -6.357 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.367 -9.745 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.198 -10.398 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.808 -9.970 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.152 -6.330 -3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.598 -6.643 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.489 -7.981 -3.510 1.00 0.00 H new ATOM 938 N ARG A 59 1.221 -6.028 -8.194 1.00 0.00 N ATOM 939 CA ARG A 59 1.300 -4.645 -8.594 1.00 0.00 C ATOM 940 C ARG A 59 0.157 -3.854 -8.003 1.00 0.00 C ATOM 941 O ARG A 59 -0.958 -4.358 -7.856 1.00 0.00 O ATOM 942 CB ARG A 59 1.282 -4.535 -10.117 1.00 0.00 C ATOM 943 CG ARG A 59 1.943 -3.281 -10.663 1.00 0.00 C ATOM 944 CD ARG A 59 3.411 -3.202 -10.252 1.00 0.00 C ATOM 945 NE ARG A 59 4.101 -4.491 -10.417 1.00 0.00 N ATOM 946 CZ ARG A 59 5.200 -4.684 -11.153 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.769 -3.670 -11.799 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.740 -5.895 -11.228 1.00 0.00 N ATOM 0 H ARG A 59 0.280 -6.361 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 59 2.237 -4.232 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.782 -5.407 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.247 -4.564 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.867 -3.272 -11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.414 -2.401 -10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.914 -2.442 -10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.479 -2.885 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 59 3.711 -5.299 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.367 -2.735 -11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.607 -3.828 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.316 -6.674 -10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.579 -6.046 -11.789 1.00 0.00 H new ATOM 962 N PHE A 60 0.437 -2.619 -7.659 1.00 0.00 N ATOM 963 CA PHE A 60 -0.546 -1.729 -7.084 1.00 0.00 C ATOM 964 C PHE A 60 -1.108 -0.791 -8.142 1.00 0.00 C ATOM 965 O PHE A 60 -0.370 -0.254 -8.976 1.00 0.00 O ATOM 966 CB PHE A 60 0.090 -0.910 -5.959 1.00 0.00 C ATOM 967 CG PHE A 60 0.208 -1.626 -4.643 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.837 -2.857 -4.548 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.312 -1.057 -3.496 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.941 -3.504 -3.332 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.212 -1.695 -2.282 1.00 0.00 C ATOM 972 CZ PHE A 60 0.415 -2.922 -2.197 1.00 0.00 C ATOM 0 H PHE A 60 1.360 -2.200 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.361 -2.331 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.085 -0.596 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.498 -0.004 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.250 -3.316 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.804 -0.097 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.433 -4.463 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.624 -1.236 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.494 -3.425 -1.245 1.00 0.00 H new ATOM 982 N ARG A 61 -2.407 -0.602 -8.127 1.00 0.00 N ATOM 983 CA ARG A 61 -3.057 0.307 -9.048 1.00 0.00 C ATOM 984 C ARG A 61 -4.110 1.133 -8.323 1.00 0.00 C ATOM 985 O ARG A 61 -4.814 0.634 -7.445 1.00 0.00 O ATOM 986 CB ARG A 61 -3.700 -0.461 -10.204 1.00 0.00 C ATOM 987 CG ARG A 61 -4.419 0.434 -11.206 1.00 0.00 C ATOM 988 CD ARG A 61 -5.157 -0.370 -12.255 1.00 0.00 C ATOM 989 NE ARG A 61 -4.264 -1.225 -13.038 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.676 -2.328 -13.682 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.967 -2.664 -13.672 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.807 -3.081 -14.343 1.00 0.00 N ATOM 0 H ARG A 61 -3.042 -1.070 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.300 0.977 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.929 -1.029 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.410 -1.183 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.124 1.076 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.695 1.088 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.912 -0.988 -11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.683 0.310 -12.925 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.278 -0.970 -13.097 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.641 -2.082 -13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.280 -3.502 -14.162 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.820 -2.823 -14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.125 -3.918 -14.831 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.207 2.396 -8.678 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.186 3.287 -8.091 1.00 0.00 C ATOM 1008 C PHE A 62 -5.551 4.356 -9.099 1.00 0.00 C ATOM 1009 O PHE A 62 -4.696 4.822 -9.838 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.627 3.932 -6.816 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.624 4.784 -6.075 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.456 4.224 -5.124 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.729 6.144 -6.333 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.370 4.999 -4.443 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.643 6.924 -5.655 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.466 6.351 -4.710 1.00 0.00 C ATOM 0 H PHE A 62 -3.611 2.834 -9.380 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.076 2.718 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.269 3.147 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.765 4.545 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.389 3.167 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.087 6.597 -7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.012 4.549 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.713 7.981 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.185 6.958 -4.179 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.832 4.719 -9.156 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.328 5.762 -10.074 1.00 0.00 C ATOM 1028 C ASP A 63 -7.242 5.276 -11.510 1.00 0.00 C ATOM 1029 O ASP A 63 -7.167 6.063 -12.462 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.518 7.051 -9.908 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.217 8.267 -10.478 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.428 8.421 -10.247 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -6.552 9.081 -11.156 1.00 0.00 O ATOM 0 H ASP A 63 -7.558 4.304 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.370 5.971 -9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.321 7.216 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.551 6.932 -10.398 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.259 3.966 -11.676 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.178 3.387 -12.990 1.00 0.00 C ATOM 1040 C GLY A 64 -5.773 3.420 -13.535 1.00 0.00 C ATOM 1041 O GLY A 64 -5.512 2.955 -14.639 1.00 0.00 O ATOM 0 H GLY A 64 -7.328 3.290 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.529 2.356 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.842 3.926 -13.666 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.848 3.969 -12.766 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.470 4.044 -13.193 1.00 0.00 C ATOM 1047 C GLN A 65 -2.574 3.264 -12.240 1.00 0.00 C ATOM 1048 O GLN A 65 -2.742 3.330 -11.022 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.010 5.501 -13.293 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.245 6.297 -12.031 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.627 7.671 -12.073 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.502 8.285 -13.134 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.225 8.156 -10.925 1.00 0.00 N ATOM 0 H GLN A 65 -5.030 4.367 -11.845 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.395 3.596 -14.184 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.947 5.522 -13.533 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.533 5.983 -14.119 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.318 6.393 -11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.838 5.748 -11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.348 7.613 -10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.788 9.077 -10.885 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.635 2.483 -12.775 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.695 1.738 -11.953 1.00 0.00 C ATOM 1064 C PRO A 66 0.208 2.689 -11.169 1.00 0.00 C ATOM 1065 O PRO A 66 0.709 3.688 -11.711 1.00 0.00 O ATOM 1066 CB PRO A 66 0.113 0.918 -12.965 1.00 0.00 C ATOM 1067 CG PRO A 66 -0.064 1.625 -14.265 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.420 2.263 -14.214 1.00 0.00 C ATOM 0 HA PRO A 66 -1.188 1.112 -11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.165 0.869 -12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.250 -0.108 -13.021 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.714 2.375 -14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.007 0.928 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.446 3.199 -14.773 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.186 1.616 -14.641 1.00 0.00 H new ATOM 1076 N ILE A 67 0.422 2.393 -9.907 1.00 0.00 N ATOM 1077 CA ILE A 67 1.210 3.256 -9.049 1.00 0.00 C ATOM 1078 C ILE A 67 2.510 2.596 -8.654 1.00 0.00 C ATOM 1079 O ILE A 67 2.723 1.404 -8.890 1.00 0.00 O ATOM 1080 CB ILE A 67 0.431 3.682 -7.786 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.156 2.457 -7.074 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.660 4.674 -8.158 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.960 2.785 -5.832 1.00 0.00 C ATOM 0 H ILE A 67 0.060 1.557 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 67 1.432 4.153 -9.627 1.00 0.00 H new ATOM 0 HB ILE A 67 1.119 4.170 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.793 1.916 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.658 1.786 -6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.205 4.969 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.210 5.555 -8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.348 4.210 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.339 1.864 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.323 3.298 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.797 3.430 -6.100 1.00 0.00 H new ATOM 1095 N ASN A 68 3.375 3.367 -8.054 1.00 0.00 N ATOM 1096 CA ASN A 68 4.679 2.901 -7.655 1.00 0.00 C ATOM 1097 C ASN A 68 4.957 3.244 -6.223 1.00 0.00 C ATOM 1098 O ASN A 68 4.454 4.223 -5.706 1.00 0.00 O ATOM 1099 CB ASN A 68 5.779 3.485 -8.548 1.00 0.00 C ATOM 1100 CG ASN A 68 5.552 4.937 -8.976 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.935 5.735 -8.125 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 5.948 5.335 -10.067 1.00 0.00 N flip ATOM 0 H ASN A 68 3.195 4.345 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 68 4.681 1.817 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.730 3.421 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.869 2.867 -9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.422 4.693 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.804 6.308 -10.338 1.00 0.00 H new ATOM 1109 N GLU A 69 5.802 2.462 -5.591 1.00 0.00 N ATOM 1110 CA GLU A 69 6.152 2.657 -4.186 1.00 0.00 C ATOM 1111 C GLU A 69 6.768 4.039 -3.928 1.00 0.00 C ATOM 1112 O GLU A 69 6.914 4.464 -2.785 1.00 0.00 O ATOM 1113 CB GLU A 69 7.112 1.560 -3.748 1.00 0.00 C ATOM 1114 CG GLU A 69 8.398 1.530 -4.546 1.00 0.00 C ATOM 1115 CD GLU A 69 9.286 0.377 -4.155 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.054 0.514 -3.186 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.215 -0.681 -4.815 1.00 0.00 O ATOM 0 H GLU A 69 6.271 1.669 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 69 5.234 2.603 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.351 1.697 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.614 0.595 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.163 1.461 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.936 2.466 -4.399 1.00 0.00 H new ATOM 1124 N THR A 70 7.105 4.750 -4.988 1.00 0.00 N ATOM 1125 CA THR A 70 7.714 6.043 -4.849 1.00 0.00 C ATOM 1126 C THR A 70 6.674 7.177 -4.961 1.00 0.00 C ATOM 1127 O THR A 70 7.031 8.361 -4.949 1.00 0.00 O ATOM 1128 CB THR A 70 8.841 6.252 -5.898 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.544 7.477 -5.640 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.272 6.287 -7.305 1.00 0.00 C ATOM 0 H THR A 70 6.964 4.447 -5.952 1.00 0.00 H new ATOM 0 HA THR A 70 8.154 6.079 -3.852 1.00 0.00 H new ATOM 0 HB THR A 70 9.532 5.413 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.914 8.153 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.081 6.434 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.767 5.345 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.559 7.107 -7.389 1.00 0.00 H new ATOM 1138 N ASP A 71 5.383 6.835 -5.055 1.00 0.00 N ATOM 1139 CA ASP A 71 4.346 7.868 -5.172 1.00 0.00 C ATOM 1140 C ASP A 71 3.740 8.172 -3.804 1.00 0.00 C ATOM 1141 O ASP A 71 3.903 7.398 -2.847 1.00 0.00 O ATOM 1142 CB ASP A 71 3.242 7.466 -6.196 1.00 0.00 C ATOM 1143 CG ASP A 71 2.092 6.689 -5.609 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.177 7.320 -5.054 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.089 5.453 -5.746 1.00 0.00 O ATOM 0 H ASP A 71 5.037 5.876 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 71 4.820 8.774 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.851 8.370 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.699 6.871 -6.987 1.00 0.00 H new ATOM 1150 N THR A 72 3.081 9.313 -3.694 1.00 0.00 N ATOM 1151 CA THR A 72 2.462 9.724 -2.451 1.00 0.00 C ATOM 1152 C THR A 72 0.965 9.944 -2.641 1.00 0.00 C ATOM 1153 O THR A 72 0.525 10.330 -3.730 1.00 0.00 O ATOM 1154 CB THR A 72 3.096 11.028 -1.924 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.040 12.040 -2.943 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.541 10.801 -1.516 1.00 0.00 C ATOM 0 H THR A 72 2.962 9.975 -4.461 1.00 0.00 H new ATOM 0 HA THR A 72 2.624 8.926 -1.726 1.00 0.00 H new ATOM 0 HB THR A 72 2.534 11.353 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.442 12.867 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.966 11.735 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.583 10.048 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.113 10.457 -2.378 1.00 0.00 H new ATOM 1164 N PRO A 73 0.160 9.737 -1.571 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.298 9.908 -1.623 1.00 0.00 C ATOM 1166 C PRO A 73 -1.701 11.325 -2.042 1.00 0.00 C ATOM 1167 O PRO A 73 -2.802 11.557 -2.550 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.755 9.625 -0.181 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.521 9.739 0.648 1.00 0.00 C ATOM 1170 CD PRO A 73 0.609 9.316 -0.237 1.00 0.00 C ATOM 0 HA PRO A 73 -1.755 9.248 -2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.513 10.340 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.197 8.632 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.380 10.761 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.584 9.104 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.545 9.799 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.778 8.240 -0.189 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.807 12.270 -1.836 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.058 13.649 -2.205 1.00 0.00 C ATOM 1180 C ALA A 74 -0.900 13.844 -3.708 1.00 0.00 C ATOM 1181 O ALA A 74 -1.589 14.657 -4.321 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.106 14.573 -1.465 1.00 0.00 C ATOM 0 H ALA A 74 0.106 12.107 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.083 13.893 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.305 15.606 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.251 14.460 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.922 14.317 -1.721 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.005 13.067 -4.305 1.00 0.00 N ATOM 1189 CA GLN A 75 0.314 13.188 -5.718 1.00 0.00 C ATOM 1190 C GLN A 75 -0.819 12.670 -6.594 1.00 0.00 C ATOM 1191 O GLN A 75 -1.338 13.382 -7.445 1.00 0.00 O ATOM 1192 CB GLN A 75 1.579 12.398 -6.021 1.00 0.00 C ATOM 1193 CG GLN A 75 2.121 12.612 -7.422 1.00 0.00 C ATOM 1194 CD GLN A 75 3.357 11.783 -7.705 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.171 11.556 -6.689 1.00 0.00 O flip ATOM 1196 NE2 GLN A 75 3.585 11.363 -8.836 1.00 0.00 N flip ATOM 0 H GLN A 75 0.518 12.337 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 75 0.462 14.245 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.348 12.673 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.374 11.337 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.347 12.363 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.358 13.667 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.932 11.560 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.428 10.818 -9.017 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.210 11.428 -6.376 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.249 10.811 -7.199 1.00 0.00 C ATOM 1207 C LEU A 76 -3.657 11.203 -6.735 1.00 0.00 C ATOM 1208 O LEU A 76 -4.654 10.645 -7.201 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.092 9.277 -7.249 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.641 8.469 -6.060 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.425 6.995 -6.293 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.992 8.885 -4.760 1.00 0.00 C ATOM 0 H LEU A 76 -0.832 10.826 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.121 11.196 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.581 8.918 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.031 9.050 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.709 8.673 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.817 6.432 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.943 6.691 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.359 6.796 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.404 8.294 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.916 8.720 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.187 9.942 -4.578 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.727 12.181 -5.822 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.995 12.687 -5.289 1.00 0.00 C ATOM 1226 C GLU A 77 -5.834 11.575 -4.670 1.00 0.00 C ATOM 1227 O GLU A 77 -6.938 11.268 -5.127 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.788 13.428 -6.367 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.118 14.702 -6.845 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.917 15.409 -7.910 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.008 15.933 -7.589 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -5.460 15.445 -9.076 1.00 0.00 O ATOM 0 H GLU A 77 -2.905 12.643 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.751 13.394 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.936 12.764 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.776 13.671 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.974 15.373 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.129 14.464 -7.235 1.00 0.00 H new ATOM 1239 N MET A 78 -5.299 10.961 -3.636 1.00 0.00 N ATOM 1240 CA MET A 78 -5.979 9.889 -2.934 1.00 0.00 C ATOM 1241 C MET A 78 -7.056 10.432 -2.001 1.00 0.00 C ATOM 1242 O MET A 78 -7.362 11.625 -2.002 1.00 0.00 O ATOM 1243 CB MET A 78 -4.961 9.079 -2.139 1.00 0.00 C ATOM 1244 CG MET A 78 -4.867 7.627 -2.551 1.00 0.00 C ATOM 1245 SD MET A 78 -3.369 6.847 -1.940 1.00 0.00 S ATOM 1246 CE MET A 78 -3.449 5.278 -2.787 1.00 0.00 C ATOM 0 H MET A 78 -4.380 11.190 -3.257 1.00 0.00 H new ATOM 0 HA MET A 78 -6.467 9.250 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.980 9.541 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.220 9.129 -1.081 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.736 7.087 -2.175 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.894 7.557 -3.638 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.031 4.499 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.488 5.041 -3.016 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.877 5.335 -3.713 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.588 9.556 -1.167 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.657 9.887 -0.237 1.00 0.00 C ATOM 1258 C GLU A 79 -8.628 8.905 0.903 1.00 0.00 C ATOM 1259 O GLU A 79 -8.077 7.811 0.773 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.045 9.849 -0.906 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.290 10.956 -1.916 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.742 11.086 -2.298 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.201 10.338 -3.180 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.428 11.947 -1.726 1.00 0.00 O ATOM 0 H GLU A 79 -7.287 8.583 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.492 10.904 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.168 8.887 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.809 9.907 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.941 11.902 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.699 10.762 -2.811 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.201 9.274 2.019 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.245 8.390 3.157 1.00 0.00 C ATOM 1273 C ASP A 80 -10.295 7.327 2.959 1.00 0.00 C ATOM 1274 O ASP A 80 -11.360 7.580 2.391 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.510 9.158 4.451 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.749 10.014 4.373 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.715 11.046 3.672 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.757 9.671 5.015 1.00 0.00 O ATOM 0 H ASP A 80 -9.644 10.181 2.165 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.269 7.913 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.612 8.451 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.650 9.789 4.677 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.973 6.128 3.405 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.851 4.973 3.333 1.00 0.00 C ATOM 1285 C GLU A 81 -11.075 4.512 1.892 1.00 0.00 C ATOM 1286 O GLU A 81 -12.010 3.763 1.607 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.180 5.236 4.053 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.002 5.722 5.486 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.268 5.622 6.303 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -14.217 6.377 6.034 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.319 4.790 7.233 1.00 0.00 O ATOM 0 H GLU A 81 -9.072 5.924 3.838 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.350 4.156 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.748 5.978 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.770 4.320 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.218 5.138 5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.665 6.758 5.473 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.211 4.945 0.974 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.308 4.482 -0.403 1.00 0.00 C ATOM 1300 C ASP A 82 -9.549 3.162 -0.529 1.00 0.00 C ATOM 1301 O ASP A 82 -8.854 2.742 0.406 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.769 5.523 -1.395 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.398 5.386 -2.783 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.230 4.331 -3.422 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -11.080 6.329 -3.228 1.00 0.00 O ATOM 0 H ASP A 82 -9.452 5.602 1.156 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.358 4.330 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.963 6.524 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.687 5.417 -1.477 1.00 0.00 H new ATOM 1310 N THR A 83 -9.663 2.506 -1.654 1.00 0.00 N ATOM 1311 CA THR A 83 -9.064 1.206 -1.816 1.00 0.00 C ATOM 1312 C THR A 83 -8.130 1.132 -3.034 1.00 0.00 C ATOM 1313 O THR A 83 -8.431 1.650 -4.110 1.00 0.00 O ATOM 1314 CB THR A 83 -10.160 0.132 -1.929 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.141 0.353 -0.903 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.577 -1.257 -1.767 1.00 0.00 C ATOM 0 H THR A 83 -10.165 2.850 -2.472 1.00 0.00 H new ATOM 0 HA THR A 83 -8.454 1.023 -0.932 1.00 0.00 H new ATOM 0 HB THR A 83 -10.617 0.204 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.844 -0.327 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.372 -1.998 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.834 -1.433 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.105 -1.341 -0.788 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.999 0.470 -2.845 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.024 0.265 -3.899 1.00 0.00 C ATOM 1326 C ILE A 84 -6.219 -1.120 -4.482 1.00 0.00 C ATOM 1327 O ILE A 84 -6.381 -2.091 -3.745 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.551 0.401 -3.397 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.244 1.831 -2.938 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.572 -0.018 -4.481 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.735 2.158 -1.547 1.00 0.00 C ATOM 0 H ILE A 84 -6.733 0.059 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.184 1.040 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.436 -0.263 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.166 1.989 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.694 2.530 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.552 0.085 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.755 -1.057 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.705 0.617 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.476 3.188 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.817 2.036 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.266 1.486 -0.828 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.209 -1.220 -5.790 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.427 -2.490 -6.454 1.00 0.00 C ATOM 1345 C ASP A 85 -5.105 -3.169 -6.754 1.00 0.00 C ATOM 1346 O ASP A 85 -4.239 -2.607 -7.424 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.226 -2.294 -7.745 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.553 -1.604 -7.508 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.454 -2.223 -6.897 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.706 -0.437 -7.940 1.00 0.00 O ATOM 0 H ASP A 85 -6.052 -0.434 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.002 -3.129 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.635 -1.707 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.403 -3.264 -8.210 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.934 -4.370 -6.242 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.714 -5.123 -6.455 1.00 0.00 C ATOM 1357 C VAL A 86 -3.946 -6.314 -7.381 1.00 0.00 C ATOM 1358 O VAL A 86 -4.938 -7.042 -7.256 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.110 -5.601 -5.113 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.006 -6.612 -5.340 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.582 -4.418 -4.336 1.00 0.00 C ATOM 0 H VAL A 86 -5.630 -4.849 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.003 -4.451 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.898 -6.087 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.601 -6.930 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.408 -7.477 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.214 -6.158 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.158 -4.762 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.810 -3.915 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.396 -3.722 -4.136 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.008 -6.534 -8.288 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.105 -7.600 -9.275 1.00 0.00 C ATOM 1373 C PHE A 87 -1.817 -8.411 -9.276 1.00 0.00 C ATOM 1374 O PHE A 87 -0.770 -7.911 -8.872 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.345 -7.010 -10.671 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.548 -6.109 -10.751 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.441 -4.762 -10.440 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.783 -6.607 -11.128 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.538 -3.934 -10.501 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.888 -5.781 -11.193 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.764 -4.443 -10.878 1.00 0.00 C ATOM 0 H PHE A 87 -2.156 -5.978 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.943 -8.247 -9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.461 -6.449 -10.975 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.465 -7.825 -11.384 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.484 -4.357 -10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.884 -7.654 -11.374 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.440 -2.887 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.846 -6.181 -11.489 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.626 -3.795 -10.927 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.887 -9.663 -9.702 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.705 -10.514 -9.768 1.00 0.00 C ATOM 1393 C GLN A 88 -0.295 -10.762 -11.213 1.00 0.00 C ATOM 1394 O GLN A 88 -1.008 -11.428 -11.963 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.965 -11.867 -9.089 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.758 -11.902 -7.582 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.801 -11.121 -6.803 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.869 -11.635 -6.492 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.482 -9.897 -6.444 1.00 0.00 N ATOM 0 H GLN A 88 -2.749 -10.114 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 88 0.098 -9.994 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.990 -12.169 -9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.312 -12.612 -9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.769 -12.939 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.229 -11.503 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.583 -9.502 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.133 -9.343 -5.888 1.00 0.00 H new ATOM 1408 N GLN A 89 0.841 -10.232 -11.613 1.00 0.00 N ATOM 1409 CA GLN A 89 1.352 -10.468 -12.955 1.00 0.00 C ATOM 1410 C GLN A 89 2.682 -11.184 -12.926 1.00 0.00 C ATOM 1411 O GLN A 89 3.752 -10.610 -13.140 1.00 0.00 O ATOM 1412 CB GLN A 89 1.393 -9.204 -13.840 1.00 0.00 C ATOM 1413 CG GLN A 89 2.167 -8.018 -13.287 1.00 0.00 C ATOM 1414 CD GLN A 89 1.577 -7.493 -12.011 1.00 0.00 C ATOM 1415 OE1 GLN A 89 2.057 -7.780 -10.924 1.00 0.00 O ATOM 1416 NE2 GLN A 89 0.477 -6.807 -12.136 1.00 0.00 N ATOM 0 H GLN A 89 1.431 -9.635 -11.033 1.00 0.00 H new ATOM 0 HA GLN A 89 0.629 -11.128 -13.434 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.825 -9.475 -14.803 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.368 -8.885 -14.029 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.201 -8.313 -13.111 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.185 -7.221 -14.030 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.113 -6.591 -13.064 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.021 -6.486 -11.306 1.00 0.00 H new ATOM 1425 N GLN A 90 2.597 -12.437 -12.610 1.00 0.00 N ATOM 1426 CA GLN A 90 3.718 -13.321 -12.598 1.00 0.00 C ATOM 1427 C GLN A 90 3.952 -13.785 -14.030 1.00 0.00 C ATOM 1428 O GLN A 90 3.271 -14.690 -14.518 1.00 0.00 O ATOM 1429 CB GLN A 90 3.400 -14.507 -11.682 1.00 0.00 C ATOM 1430 CG GLN A 90 4.602 -15.143 -11.017 1.00 0.00 C ATOM 1431 CD GLN A 90 5.459 -15.956 -11.964 1.00 0.00 C ATOM 1432 OE1 GLN A 90 5.227 -17.148 -12.159 1.00 0.00 O ATOM 1433 NE2 GLN A 90 6.451 -15.328 -12.546 1.00 0.00 N ATOM 0 H GLN A 90 1.720 -12.886 -12.346 1.00 0.00 H new ATOM 0 HA GLN A 90 4.616 -12.829 -12.223 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.710 -14.173 -10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.881 -15.268 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.214 -14.361 -10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.260 -15.786 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.609 -14.338 -12.357 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.065 -15.829 -13.188 1.00 0.00 H new ATOM 1442 N THR A 91 4.882 -13.132 -14.715 1.00 0.00 N ATOM 1443 CA THR A 91 5.164 -13.406 -16.119 1.00 0.00 C ATOM 1444 C THR A 91 5.443 -14.885 -16.368 1.00 0.00 C ATOM 1445 O THR A 91 4.743 -15.547 -17.144 1.00 0.00 O ATOM 1446 CB THR A 91 6.353 -12.563 -16.606 1.00 0.00 C ATOM 1447 OG1 THR A 91 6.153 -11.191 -16.224 1.00 0.00 O ATOM 1448 CG2 THR A 91 6.495 -12.647 -18.119 1.00 0.00 C ATOM 0 H THR A 91 5.463 -12.396 -14.313 1.00 0.00 H new ATOM 0 HA THR A 91 4.272 -13.134 -16.683 1.00 0.00 H new ATOM 0 HB THR A 91 7.263 -12.952 -16.149 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.911 -10.652 -16.532 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.343 -12.042 -18.439 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.658 -13.684 -18.412 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.586 -12.275 -18.591 1.00 0.00 H new ATOM 1456 N GLY A 92 6.450 -15.401 -15.721 1.00 0.00 N ATOM 1457 CA GLY A 92 6.803 -16.791 -15.874 1.00 0.00 C ATOM 1458 C GLY A 92 8.167 -17.058 -15.310 1.00 0.00 C ATOM 1459 O GLY A 92 8.436 -16.738 -14.151 1.00 0.00 O ATOM 0 H GLY A 92 7.046 -14.879 -15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.067 -17.416 -15.369 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.781 -17.063 -16.929 1.00 0.00 H new ATOM 1463 N GLY A 93 9.045 -17.608 -16.114 1.00 0.00 N ATOM 1464 CA GLY A 93 10.384 -17.871 -15.664 1.00 0.00 C ATOM 1465 C GLY A 93 11.388 -17.567 -16.739 1.00 0.00 C ATOM 1466 O GLY A 93 11.046 -17.731 -17.931 1.00 0.00 O ATOM 1467 OXT GLY A 93 12.508 -17.159 -16.411 1.00 0.00 O ATOM 0 H GLY A 93 8.854 -17.880 -17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.599 -17.269 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.472 -18.916 -15.366 1.00 0.00 H new TER 1471 GLY A 93